! Hvpx

! species:  oxygen
! formula:  O_2
! trivial:  
! casrn:    7782-44-7
! inchikey: MYMOFIZGZYHOMD-UHFFFAOYSA-N
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx____7782_44_7 =  4.3E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx____7782_44_7 =  4.3E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2301
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3853
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3431
Hvpx____7782_44_7 =  4.5E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3605
Hvpx____7782_44_7 =  4.5E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3606
Hvpx____7782_44_7 =  4.3E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3412
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3603
Hvpx____7782_44_7 =  4.3E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 491
Hvpx____7782_44_7 =  4.3E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3601
Hvpx____7782_44_7 =  4.4E+04                                  ! [atm] type: M, ref: 3600
Hvpx____7782_44_7 =  4.2E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3628
Hvpx____7782_44_7 =  4.3E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2437
Hvpx____7782_44_7 =  3.9E+03                                  ! [atm] type: M, ref: 3608
Hvpx____7782_44_7 =  5.2E+04                                  ! [atm] type: M, ref: 3787
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3566
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3785
Hvpx____7782_44_7 =  4.5E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 525
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3783
Hvpx____7782_44_7 =  4.4E+04                                  ! [atm] type: M, ref: 3702
Hvpx____7782_44_7 =  4.3E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3716
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3711
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3027
Hvpx____7782_44_7 =  4.1E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3713
Hvpx____7782_44_7 =  4.5E+04 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3712
Hvpx____7782_44_7 =  4.6E+04 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3717
Hvpx____7782_44_7 =  4.5E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx____7782_44_7 =  4.5E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx____7782_44_7 =  4.1E+04                                  ! [atm] type: T, ref: 766
Hvpx____7782_44_7 =  4.0E+04                                  ! [atm] type: C, ref: 3705
Hvpx____7782_44_7 =  6.9E+04                                  ! [atm] type: Q, ref: 3728
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx____7782_44_7 =  5.0E+04                                  ! [atm] type: ?, ref: 3614
Hvpx____7782_44_7 =  4.4E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx____7782_44_7 =  4.3E+04                                  ! [atm] type: ?, ref: 523
Hvpx____7782_44_7 =  4.3E+03                                  ! [atm] type: ?, ref: 3945

! species:  ozone
! formula:  O_3
! trivial:  
! casrn:    10028-15-6
! inchikey: CBENFWSGALASAD-UHFFFAOYSA-N
Hvpx___10028_15_6 =  5.4E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx___10028_15_6 =  5.4E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx___10028_15_6 =  5.4E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx___10028_15_6 =  5.4E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx___10028_15_6 =  7.1E+03 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3589
Hvpx___10028_15_6 =  5.0E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2432
Hvpx___10028_15_6 =  4.3E+03 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx___10028_15_6 =  4.8E+03                                  ! [atm] type: M, ref: 3392
Hvpx___10028_15_6 =  5.2E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2512
Hvpx___10028_15_6 =  5.5E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3414
Hvpx___10028_15_6 =  6.0E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3590
Hvpx___10028_15_6 =  4.7E+03 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3005
Hvpx___10028_15_6 =  4.9E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 480
Hvpx___10028_15_6 =  3.2E+03                                  ! [atm] type: M, ref: 3591
Hvpx___10028_15_6 =  4.4E+03 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3592
Hvpx___10028_15_6 =  5.5E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3593
Hvpx___10028_15_6 =  4.3E+03 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: M, ref: 528
Hvpx___10028_15_6 =  2.8E+03                                  ! [atm] type: M, ref: 3594
Hvpx___10028_15_6 =  6.8E+03 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3595
Hvpx___10028_15_6 =  4.6E+03 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3596
Hvpx___10028_15_6 =  4.5E+03                                  ! [atm] type: M, ref: 3597
Hvpx___10028_15_6 =  4.8E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: T, ref: 87
Hvpx___10028_15_6 =  4.5E+03                                  ! [atm] type: X, ref: perry73
Hvpx___10028_15_6 =  4.4E+03                                  ! [atm] type: Q, ref: 3728
Hvpx___10028_15_6 =  5.9E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: ?, ref: 523
Hvpx___10028_15_6 =  5.9E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: ?, ref: 103

! species:  hydrogen atom
! formula:  H
! trivial:  
! casrn:    12385-13-6
! inchikey: YZCKVEUIGOORGS-UHFFFAOYSA-N
Hvpx___12385_13_6 =  2.1E+05                                  ! [atm] type: L, ref: 3500
Hvpx___12385_13_6 =  2.1E+05                                  ! [atm] type: L, ref: 3245
Hvpx___12385_13_6 =  2.1E+05                                  ! [atm] type: L, ref: 2626
Hvpx___12385_13_6 =  2.1E+05                                  ! [atm] type: L, ref: 1945
Hvpx___12385_13_6 =  1.8E+05                                  ! [atm] type: T, ref: 3562
Hvpx___12385_13_6 =  1.6E+05                                  ! [atm] type: E, ref: 3544

! species:  hydrogen
! formula:  H_2
! trivial:  
! casrn:    1333-74-0
! inchikey: UFHFLCQGNIYNRP-UHFFFAOYSA-N
Hvpx____1333_74_0 =  7.0E+04 * EXP(   -530.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx____1333_74_0 =  7.1E+04 * EXP(   -490.*(1./T-1./298.15)) ! [atm] type: L, ref: 3852
Hvpx____1333_74_0 =  7.1E+04 * EXP(   -490.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____1333_74_0 =  7.0E+04 * EXP(   -600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3431
Hvpx____1333_74_0 =  7.0E+04 * EXP(   -620.*(1./T-1./298.15)) ! [atm] type: M, ref: 3777
Hvpx____1333_74_0 =  7.1E+04 * EXP(   -480.*(1./T-1./298.15)) ! [atm] type: M, ref: 3782
Hvpx____1333_74_0 =  7.1E+04 * EXP(   -520.*(1./T-1./298.15)) ! [atm] type: M, ref: 3781
Hvpx____1333_74_0 =  7.6E+04                                  ! [atm] type: M, ref: 3786
Hvpx____1333_74_0 =  7.6E+04                                  ! [atm] type: M, ref: 3787
Hvpx____1333_74_0 =  7.3E+04                                  ! [atm] type: M, ref: 3784
Hvpx____1333_74_0 =  7.0E+04 * EXP(   -510.*(1./T-1./298.15)) ! [atm] type: M, ref: 3783
Hvpx____1333_74_0 =  7.0E+04 * EXP(   -540.*(1./T-1./298.15)) ! [atm] type: M, ref: 3711
Hvpx____1333_74_0 =  7.1E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3795
Hvpx____1333_74_0 =  7.1E+04 * EXP(   -500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3026
Hvpx____1333_74_0 =  7.2E+04 * EXP(   -550.*(1./T-1./298.15)) ! [atm] type: M, ref: 3713
Hvpx____1333_74_0 =  7.0E+04 * EXP(   -610.*(1./T-1./298.15)) ! [atm] type: M, ref: 3712
Hvpx____1333_74_0 =  6.4E+04 * EXP(    -20.*(1./T-1./298.15)) ! [atm] type: M, ref: 3717
Hvpx____1333_74_0 =  7.0E+04 * EXP(   -500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx____1333_74_0 =  7.1E+04                                  ! [atm] type: R, ref: 714
Hvpx____1333_74_0 =  6.6E+04                                  ! [atm] type: T, ref: 766
Hvpx____1333_74_0 =  8.5E+04                                  ! [atm] type: Q, ref: 3728
Hvpx____1333_74_0 =  7.1E+04 * EXP(   -490.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx____1333_74_0 =  7.1E+04                                  ! [atm] type: ?, ref: 3614
Hvpx____1333_74_0 =  7.1E+04 * EXP(   -500.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379

! species:  deuterium
! formula:  D_2
! trivial:  
! casrn:    7782-39-0
! inchikey: UFHFLCQGNIYNRP-VVKOMZTBSA-N
Hvpx____7782_39_0 =  6.9E+04 * EXP(   -720.*(1./T-1./298.15)) ! [atm] type: M, ref: 3926
Hvpx____7782_39_0 =  6.9E+04 * EXP(   -720.*(1./T-1./298.15)) ! [atm] type: M, ref: 3926
Hvpx____7782_39_0 =  6.6E+04                                  ! [atm] type: Q, ref: 3728

! species:  hydroxyl radical
! formula:  OH
! trivial:  
! casrn:    3352-57-6
! inchikey: TUJKJAMUKRIRHC-UHFFFAOYSA-N
Hvpx____3352_57_6 =  1.4E+00                                  ! [atm] type: T, ref: 3500
Hvpx____3352_57_6 =  1.4E+00                                  ! [atm] type: T, ref: 3245
Hvpx____3352_57_6 =  1.4E+00                                  ! [atm] type: T, ref: 2626
Hvpx____3352_57_6 =  1.4E+00                                  ! [atm] type: T, ref: 1945
Hvpx____3352_57_6 =  1.9E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: T, ref: 515
Hvpx____3352_57_6 =  1.7E+00                                  ! [atm] type: T, ref: 189
Hvpx____3352_57_6 =  1.9E+00 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: T, ref: 763
Hvpx____3352_57_6 =  2.2E+00                                  ! [atm] type: C, ref: 31
Hvpx____3352_57_6 =  2.8E-01                                  ! [atm] type: C, ref: 31
Hvpx____3352_57_6 =  6.1E-03                                  ! [atm] type: C, ref: 31
Hvpx____3352_57_6 =  2.2E+00 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: C, ref: 46

! species:  hydroperoxy radical
! formula:  HO_2
! trivial:  
! casrn:    3170-83-0
! inchikey: MHAJPDPJQMAIIY-UHFFFAOYSA-M
Hvpx____3170_83_0 =  9.6E-03                                  ! [atm] type: R, ref: 797
Hvpx____3170_83_0 =  8.0E-02                                  ! [atm] type: T, ref: 3500
Hvpx____3170_83_0 =  8.0E-02                                  ! [atm] type: T, ref: 3245
Hvpx____3170_83_0 =  8.0E-02                                  ! [atm] type: T, ref: 2626
Hvpx____3170_83_0 =  8.0E-02                                  ! [atm] type: T, ref: 1945
Hvpx____3170_83_0 =  1.4E-02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: T, ref: 515
Hvpx____3170_83_0 =  6.1E-03                                  ! [atm] type: T, ref: 205
Hvpx____3170_83_0 =  6.1E-03                                  ! [atm] type: T, ref: 87
Hvpx____3170_83_0 =  4.6E-02                                  ! [atm] type: T, ref: 209
Hvpx____3170_83_0 =  1.2E-02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: T, ref: 763

! species:  hydrogen peroxide
! formula:  H_2O_2
! trivial:  
! casrn:    7722-84-1
! inchikey: MHAJPDPJQMAIIY-UHFFFAOYSA-N
Hvpx____7722_84_1 =  6.4E-04 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____7722_84_1 =  6.4E-04 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____7722_84_1 =  5.7E-04 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx____7722_84_1 =  6.0E-04 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx____7722_84_1 =  6.6E-04 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____7722_84_1 =  7.2E-04 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx____7722_84_1 =  5.6E-04 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx____7722_84_1 =  4.7E-04 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3578
Hvpx____7722_84_1 =  5.1E-04 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2827
Hvpx____7722_84_1 =  6.6E-04 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: M, ref: 516
Hvpx____7722_84_1 =  5.5E-04 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 311
Hvpx____7722_84_1 =  6.5E-04 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 800
Hvpx____7722_84_1 =  8.2E-04 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: M, ref: 488
Hvpx____7722_84_1 =  3.9E-04                                  ! [atm] type: M, ref: 527
Hvpx____7722_84_1 =  5.7E-04 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: T, ref: 87
Hvpx____7722_84_1 =  7.8E-04 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: T, ref: 43
Hvpx____7722_84_1 =  8.5E-03                                  ! [atm] type: Q, ref: 2521
Hvpx____7722_84_1 =  7.8E-04 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: ?, ref: 523
Hvpx____7722_84_1 =  7.8E-04 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: ?, ref: 103

! species:  nitrogen
! formula:  N_2
! trivial:  
! casrn:    7727-37-9
! inchikey: IJGRMHOSHXDMSA-UHFFFAOYSA-N
Hvpx____7727_37_9 =  8.5E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____7727_37_9 =  8.5E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____7727_37_9 =  8.5E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx____7727_37_9 =  8.5E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____7727_37_9 =  8.5E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx____7727_37_9 =  8.4E+04 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx____7727_37_9 =  8.5E+04 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2433
Hvpx____7727_37_9 =  8.5E+04 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3856
Hvpx____7727_37_9 =  8.5E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7727_37_9 =  1.0E+05                                  ! [atm] type: L, ref: 2441
Hvpx____7727_37_9 =  8.4E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx____7727_37_9 =  8.7E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3431
Hvpx____7727_37_9 =  8.5E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2434
Hvpx____7727_37_9 =  8.3E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3601
Hvpx____7727_37_9 =  9.9E+04                                  ! [atm] type: M, ref: 3787
Hvpx____7727_37_9 =  8.6E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3565
Hvpx____7727_37_9 =  8.5E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3783
Hvpx____7727_37_9 =  8.3E+04                                  ! [atm] type: M, ref: 3702
Hvpx____7727_37_9 =  8.4E+04 * EXP(  -1100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3707
Hvpx____7727_37_9 =  9.7E+04                                  ! [atm] type: M, ref: 3715
Hvpx____7727_37_9 =  8.6E+04 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3716
Hvpx____7727_37_9 =  8.7E+04 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3795
Hvpx____7727_37_9 =  8.7E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3027
Hvpx____7727_37_9 =  8.1E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3713
Hvpx____7727_37_9 =  9.4E+04 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3717
Hvpx____7727_37_9 =  8.6E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx____7727_37_9 =  8.5E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx____7727_37_9 =  8.4E+04                                  ! [atm] type: T, ref: 766
Hvpx____7727_37_9 =  7.6E+04                                  ! [atm] type: C, ref: 3705
Hvpx____7727_37_9 =  9.7E+04                                  ! [atm] type: Q, ref: 3728
Hvpx____7727_37_9 =  8.5E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3407
Hvpx____7727_37_9 =  8.7E+04 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx____7727_37_9 =  9.6E+04                                  ! [atm] type: ?, ref: 3614
Hvpx____7727_37_9 =  8.7E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379

! species:  ammonia
! formula:  NH_3
! trivial:  
! casrn:    7664-41-7
! inchikey: QGZKDVFQNNGYKY-UHFFFAOYSA-N
Hvpx____7664_41_7 =  9.2E-01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____7664_41_7 =  9.2E-01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____7664_41_7 =  9.2E-01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____7664_41_7 =  9.2E-01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx____7664_41_7 =  9.4E-01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3085
Hvpx____7664_41_7 =  9.1E-01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 540
Hvpx____7664_41_7 =  5.3E+00 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7664_41_7 =  2.0E+00 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3003
Hvpx____7664_41_7 =  5.5E-02 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3668
Hvpx____7664_41_7 =  9.1E-01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 620
Hvpx____7664_41_7 =  9.9E-01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 487
Hvpx____7664_41_7 =  7.1E-01                                  ! [atm] type: M, ref: 287
Hvpx____7664_41_7 =  7.3E-01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 482
Hvpx____7664_41_7 =  9.8E-01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: T, ref: 487
Hvpx____7664_41_7 =  9.5E-01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: T, ref: 87
Hvpx____7664_41_7 =  9.2E-01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: T, ref: 3540
Hvpx____7664_41_7 =  8.9E-01                                  ! [atm] type: X, ref: vankrevelen49
Hvpx____7664_41_7 =  1.9E+00                                  ! [atm] type: Q, ref: 3728
Hvpx____7664_41_7 =  2.0E+00 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx____7664_41_7 =  9.6E-01                                  ! [atm] type: ?, ref: 1500
Hvpx____7664_41_7 =  8.9E-01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: ?, ref: 523
Hvpx____7664_41_7 =  9.5E-01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: ?, ref: 103
Hvpx____7664_41_7 =  1.0E+00                                  ! [atm] type: ?, ref: 641

! species:  hydrazoic acid
! formula:  HN_3
! trivial:  
! casrn:    7782-79-8
! inchikey: JUINSXZKUKVTMD-UHFFFAOYSA-N
Hvpx____7782_79_8 =  4.6E+00 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____7782_79_8 =  5.6E+00 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7782_79_8 =  4.6E+00 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2806
Hvpx____7782_79_8 =  5.5E+00                                  ! [atm] type: M, ref: 2807
Hvpx____7782_79_8 =  4.6E+00 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 4017
Hvpx____7782_79_8 =  7.2E-01                                  ! [atm] type: Q, ref: 2530

! species:  hydrazine
! formula:  H_4N_2
! trivial:  
! casrn:    302-01-2
! inchikey: OAKJQQAXSVQMHS-UHFFFAOYSA-N
Hvpx_____302_01_2 =  3.4E-02                                  ! [atm] type: V, ref: 3088

! species:  dinitrogen monoxide
! formula:  N_2O
! trivial:  nitrous oxide; laughing gas
! casrn:    10024-97-2
! inchikey: GQPLMRYTRLFLPF-UHFFFAOYSA-N
Hvpx___10024_97_2 =  2.3E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx___10024_97_2 =  2.6E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx___10024_97_2 =  2.3E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx___10024_97_2 =  2.6E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx___10024_97_2 =  2.3E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx___10024_97_2 =  2.3E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx___10024_97_2 =  2.3E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx___10024_97_2 =  2.3E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3854
Hvpx___10024_97_2 =  2.3E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx___10024_97_2 =  3.0E+03                                  ! [atm] type: L, ref: 2441
Hvpx___10024_97_2 =  2.2E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx___10024_97_2 =  2.2E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2832
Hvpx___10024_97_2 =  2.2E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3701
Hvpx___10024_97_2 =  2.3E+03                                  ! [atm] type: M, ref: 2833
Hvpx___10024_97_2 =  2.9E+03                                  ! [atm] type: M, ref: 3697
Hvpx___10024_97_2 =  2.3E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3710
Hvpx___10024_97_2 =  3.8E+03                                  ! [atm] type: M, ref: 3703
Hvpx___10024_97_2 =  2.5E+03                                  ! [atm] type: M, ref: 3705
Hvpx___10024_97_2 =  2.3E+03                                  ! [atm] type: M, ref: 3702
Hvpx___10024_97_2 =  2.3E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3709
Hvpx___10024_97_2 =  2.3E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3704
Hvpx___10024_97_2 =  2.3E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3711
Hvpx___10024_97_2 =  2.4E+03 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3944
Hvpx___10024_97_2 =  2.1E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3708
Hvpx___10024_97_2 =  2.1E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: X, ref: gordon1895
Hvpx___10024_97_2 =  3.1E+03                                  ! [atm] type: X, ref: harris51
Hvpx___10024_97_2 =  1.8E+03                                  ! [atm] type: X, ref: macintosh58
Hvpx___10024_97_2 =  3.2E+03                                  ! [atm] type: X, ref: orcutt37
Hvpx___10024_97_2 =  2.0E+03                                  ! [atm] type: C, ref: 3705
Hvpx___10024_97_2 =  2.4E+03                                  ! [atm] type: Q, ref: 3728
Hvpx___10024_97_2 =  2.3E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx___10024_97_2 =  3.0E+03                                  ! [atm] type: ?, ref: 3614
Hvpx___10024_97_2 =  2.3E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx___10024_97_2 =  2.2E+03                                  ! [atm] type: ?, ref: 523
Hvpx___10024_97_2 =  2.2E+03                                  ! [atm] type: ?, ref: 563

! species:  nitrogen monoxide
! formula:  NO
! trivial:  nitric oxide
! casrn:    10102-43-9
! inchikey: MWUXSHHQAYIFBG-UHFFFAOYSA-N
Hvpx___10102_43_9 =  2.8E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx___10102_43_9 =  2.9E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx___10102_43_9 =  2.9E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx___10102_43_9 =  2.9E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 449
Hvpx___10102_43_9 =  2.9E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3854
Hvpx___10102_43_9 =  4.2E+04                                  ! [atm] type: M, ref: 559
Hvpx___10102_43_9 =  2.4E+04                                  ! [atm] type: M, ref: 3120
Hvpx___10102_43_9 =  2.9E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1138
Hvpx___10102_43_9 =  2.9E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2834
Hvpx___10102_43_9 =  1.6E+04                                  ! [atm] type: T, ref: 766
Hvpx___10102_43_9 =  2.9E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: C, ref: 732
Hvpx___10102_43_9 =  3.5E+04                                  ! [atm] type: Q, ref: 3728
Hvpx___10102_43_9 =  2.9E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx___10102_43_9 =  2.9E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx___10102_43_9 =  2.9E+04                                  ! [atm] type: ?, ref: 523
Hvpx___10102_43_9 =  2.9E+04                                  ! [atm] type: ?, ref: 1151

! species:  nitrogen dioxide
! formula:  NO_2
! trivial:  
! casrn:    10102-44-0
! inchikey: JCXJVPUVTGWSNB-UHFFFAOYSA-N
Hvpx___10102_44_0 =  4.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx___10102_44_0 =  4.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx___10102_44_0 =  5.5E+03                                  ! [atm] type: L, ref: 2828
Hvpx___10102_44_0 =  4.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx___10102_44_0 =  4.0E+03                                  ! [atm] type: L, ref: 1945
Hvpx___10102_44_0 =  4.6E+03                                  ! [atm] type: L, ref: 449
Hvpx___10102_44_0 =  4.5E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1502
Hvpx___10102_44_0 =  7.9E+03                                  ! [atm] type: M, ref: 59
Hvpx___10102_44_0 =  2.4E+03                                  ! [atm] type: M, ref: 3120
Hvpx___10102_44_0 =  4.6E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: T, ref: 87
Hvpx___10102_44_0 =  1.6E+03 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: T, ref: 763
Hvpx___10102_44_0 =  5.5E+03                                  ! [atm] type: ?, ref: 34
Hvpx___10102_44_0 =  5.5E+03                                  ! [atm] type: ?, ref: 523
Hvpx___10102_44_0 =  1.4E+03                                  ! [atm] type: ?, ref: 1151

! species:  nitrogen trioxide
! formula:  NO_3
! trivial:  nitrate radical
! casrn:    12033-49-7
! inchikey: YPJKMVATUPSWOH-UHFFFAOYSA-N
Hvpx___12033_49_7 =  3.1E+01                                  ! [atm] type: M, ref: 895
Hvpx___12033_49_7 =  9.2E+01                                  ! [atm] type: M, ref: 585
Hvpx___12033_49_7 =  1.5E+03                                  ! [atm] type: T, ref: 3500
Hvpx___12033_49_7 =  1.5E+03                                  ! [atm] type: T, ref: 3245
Hvpx___12033_49_7 =  1.5E+03                                  ! [atm] type: T, ref: 2626
Hvpx___12033_49_7 =  1.5E+03                                  ! [atm] type: T, ref: 1945
Hvpx___12033_49_7 =  4.6E+00 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: T, ref: 88
Hvpx___12033_49_7 =  1.6E+03 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: T, ref: 763

! species:  dinitrogen trioxide
! formula:  N_2O_3
! trivial:  
! casrn:    10544-73-7
! inchikey: LZDSILRDTDCIQT-UHFFFAOYSA-N
Hvpx___10544_73_7 =  9.2E+01                                  ! [atm] type: L, ref: 449
Hvpx___10544_73_7 =  2.2E+00                                  ! [atm] type: M, ref: 1138

! species:  dinitrogen tetroxide
! formula:  N_2O_4
! trivial:  
! casrn:    10544-72-6
! inchikey: WFPZPJSADLPSON-UHFFFAOYSA-N
Hvpx___10544_72_6 =  4.0E+01                                  ! [atm] type: L, ref: 449
Hvpx___10544_72_6 =  2.7E+01                                  ! [atm] type: M, ref: 3120
Hvpx___10544_72_6 =  3.4E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1138
Hvpx___10544_72_6 =  1.8E+01                                  ! [atm] type: M, ref: 1151
Hvpx___10544_72_6 =  4.2E+01 * EXP(  -1100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3123

! species:  dinitrogen pentoxide
! formula:  N_2O_5
! trivial:  nitric anhydride
! casrn:    10102-03-1
! inchikey: ZWWCURLKEXEFQT-UHFFFAOYSA-N
Hvpx___10102_03_1 =  1.8E+01                                  ! [atm] type: T, ref: 3962
Hvpx___10102_03_1 =  1.4E+02                                  ! [atm] type: T, ref: 3963
Hvpx___10102_03_1 =  1.1E+02                                  ! [atm] type: T, ref: 3964
Hvpx___10102_03_1 =  6.3E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: T, ref: 514
Hvpx___10102_03_1 =  1.4E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3961
Hvpx___10102_03_1 =  1.1E+01                                  ! [atm] type: E, ref: 3436

! species:  hydroxylamine
! formula:  H_3NO
! trivial:  
! casrn:    7803-49-8
! inchikey: AVXURJPOCDRRFD-UHFFFAOYSA-N
Hvpx____7803_49_8 =  3.8E-04                                  ! [atm] type: Q, ref: 3088

! species:  nitrous acid
! formula:  HNO_2
! trivial:  
! casrn:    7782-77-6
! inchikey: IOVCWXUNBOPUCH-UHFFFAOYSA-N
Hvpx____7782_77_6 =  1.1E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 449
Hvpx____7782_77_6 =  1.2E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1056
Hvpx____7782_77_6 =  1.2E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 625
Hvpx____7782_77_6 =  1.1E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 592
Hvpx____7782_77_6 =  1.5E+00 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1138
Hvpx____7782_77_6 =  1.2E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: T, ref: 74
Hvpx____7782_77_6 =  1.1E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: T, ref: 87
Hvpx____7782_77_6 =  1.1E+00                                  ! [atm] type: ?, ref: 523

! species:  nitric acid
! formula:  HNO_3
! trivial:  
! casrn:    7697-37-2
! inchikey: GRYLNZFGIOXLOG-UHFFFAOYSA-N
Hvpx____7697_37_2 =  6.2E-04                                  ! [atm] type: V, ref: 492
Hvpx____7697_37_2 =  2.6E-04 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: R, ref: 31
Hvpx____7697_37_2 =  2.1E-05 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: T, ref: 87
Hvpx____7697_37_2 =  2.6E-04                                  ! [atm] type: T, ref: 449
Hvpx____7697_37_2 =  2.6E-04                                  ! [atm] type: ?, ref: 34
Hvpx____7697_37_2 =  2.6E-04                                  ! [atm] type: ?, ref: 523
Hvpx____7697_37_2 =  1.6E-04 * EXP(  -8800.*(1./T-1./298.15)) ! [atm] type: ?, ref: 103

! species:  pernitric acid
! formula:  HNO_4
! trivial:  
! casrn:    26404-66-0
! inchikey: UUZZMWZGAZGXSF-UHFFFAOYSA-N
Hvpx___26404_66_0 =  1.4E+00 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1182
Hvpx___26404_66_0 =  1.4E-02                                  ! [atm] type: M, ref: 670
Hvpx___26404_66_0 =  4.4E-03 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: T, ref: 797
Hvpx___26404_66_0 =  4.0E-03                                  ! [atm] type: C, ref: 1257
Hvpx___26404_66_0 =  2.8E-03 * EXP(     -0.*(1./T-1./298.15)) ! [atm] type: C, ref: 76

! species:  fluorine atom
! formula:  F
! trivial:  
! casrn:    14762-94-8
! inchikey: YCKRFDGAMUMZLT-UHFFFAOYSA-N
Hvpx___14762_94_8 =  2.7E+03 * EXP(   -400.*(1./T-1./298.15)) ! [atm] type: T, ref: 763

! species:  hydrogen fluoride
! formula:  HF
! trivial:  
! casrn:    7664-39-3
! inchikey: KRHYYFGTRYWZRS-UHFFFAOYSA-N
Hvpx____7664_39_3 =  4.2E-03                                  ! [atm] type: M, ref: 1914
Hvpx____7664_39_3 =  8.1E+02                                  ! [atm] type: Q, ref: 3728

! species:  difluorine monoxide
! formula:  F_2O
! trivial:  
! casrn:    7783-41-7
! inchikey: UJMWVICAENGCRF-UHFFFAOYSA-N
Hvpx____7783_41_7 =  1.9E+04                                  ! [atm] type: C, ref: 735

! species:  nitrogen trifluoride
! formula:  NF_3
! trivial:  
! casrn:    7783-54-2
! inchikey: GVGCUCJTUSOZKP-UHFFFAOYSA-N
Hvpx____7783_54_2 =  7.0E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____7783_54_2 =  7.0E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____7783_54_2 =  7.0E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____7783_54_2 =  6.9E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7783_54_2 =  7.1E+04 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3806
Hvpx____7783_54_2 =  7.0E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2831

! species:  dinitrogen tetrafluoride
! formula:  N_2F_4
! trivial:  tetrafluorohydrazine
! casrn:    10036-47-2
! inchikey: GFADZIUESKAXAK-UHFFFAOYSA-N
Hvpx___10036_47_2 =  6.5E+04 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx___10036_47_2 =  6.5E+04 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx___10036_47_2 =  6.5E+04 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx___10036_47_2 =  6.5E+04 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx___10036_47_2 =  6.5E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3806

! species:  chlorine (molecular)
! formula:  Cl_2
! trivial:  
! casrn:    7782-50-5
! inchikey: KZBUYRJDOAKODT-UHFFFAOYSA-N
Hvpx____7782_50_5 =  8.9E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3535
Hvpx____7782_50_5 =  8.8E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3541
Hvpx____7782_50_5 =  9.0E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3937
Hvpx____7782_50_5 =  7.3E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: R, ref: 1230
Hvpx____7782_50_5 =  9.2E+02                                  ! [atm] type: R, ref: 3929
Hvpx____7782_50_5 =  9.0E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: T, ref: 489
Hvpx____7782_50_5 =  6.3E+02                                  ! [atm] type: Q, ref: 3728

! species:  chlorine atom
! formula:  Cl
! trivial:  
! casrn:    22537-15-1
! inchikey: ZAMOUSCENKQFHK-UHFFFAOYSA-N
Hvpx___22537_15_1 =  2.4E+01                                  ! [atm] type: T, ref: 3500
Hvpx___22537_15_1 =  2.4E+01                                  ! [atm] type: T, ref: 3245
Hvpx___22537_15_1 =  2.4E+01                                  ! [atm] type: T, ref: 2626
Hvpx___22537_15_1 =  2.4E+01                                  ! [atm] type: T, ref: 1945
Hvpx___22537_15_1 =  2.8E+02                                  ! [atm] type: T, ref: 189
Hvpx___22537_15_1 =  3.8E+03 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: T, ref: 763

! species:  hydrogen chloride
! formula:  HCl
! trivial:  
! casrn:    7647-01-0
! inchikey: VEXZGXHMUGYJMC-UHFFFAOYSA-N
Hvpx____7647_01_0 =  3.6E-02                                  ! [atm] type: R, ref: 1137
Hvpx____7647_01_0 =  5.1E+01 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: T, ref: 167
Hvpx____7647_01_0 =  2.8E+00                                  ! [atm] type: C, ref: 82
Hvpx____7647_01_0 =  2.3E+00                                  ! [atm] type: Q, ref: 3728
Hvpx____7647_01_0 =  2.9E+00 * EXP(   -620.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx____7647_01_0 =  7.6E-02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: ?, ref: 34
Hvpx____7647_01_0 =  2.2E-02                                  ! [atm] type: ?, ref: 523

! species:  hypochlorous acid
! formula:  HOCl
! trivial:  
! casrn:    7790-92-3
! inchikey: QWPPOHNGKGFGJK-UHFFFAOYSA-N
Hvpx____7790_92_3 =  8.4E-02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____7790_92_3 =  8.4E-02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____7790_92_3 =  8.4E-02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____7790_92_3 =  8.4E-02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx____7790_92_3 =  8.4E-02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 315
Hvpx____7790_92_3 =  6.0E-02                                  ! [atm] type: M, ref: 288
Hvpx____7790_92_3 =  1.2E-01 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 183
Hvpx____7790_92_3 =  6.0E-02                                  ! [atm] type: M, ref: 3232
Hvpx____7790_92_3 =  9.1E-02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 287
Hvpx____7790_92_3 =  4.5E-02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3957
Hvpx____7790_92_3 =  8.5E-02 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3809
Hvpx____7790_92_3 =  2.1E-01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: T, ref: 489
Hvpx____7790_92_3 =  1.0E-01                                  ! [atm] type: Q, ref: 2521

! species:  perchloric acid
! formula:  HClO_4
! trivial:  
! casrn:    7601-90-3
! inchikey: VLTRZXGMWDSKGL-UHFFFAOYSA-N
Hvpx____7601_90_3 =  5.5E-05                                  ! [atm] type: E, ref: 1536

! species:  monochlorine monoxide
! formula:  ClO
! trivial:  
! casrn:    14989-30-1
! inchikey: MLWGAEVSWJXOQJ-UHFFFAOYSA-N
Hvpx___14989_30_1 =  7.8E+01                                  ! [atm] type: T, ref: 3500
Hvpx___14989_30_1 =  7.8E+01                                  ! [atm] type: T, ref: 3245
Hvpx___14989_30_1 =  7.8E+01                                  ! [atm] type: T, ref: 2626
Hvpx___14989_30_1 =  7.8E+01                                  ! [atm] type: T, ref: 1945

! species:  dichlorine monoxide
! formula:  Cl_2O
! trivial:  
! casrn:    7791-21-1
! inchikey: RCJVRSBWZCNNQT-UHFFFAOYSA-N
Hvpx____7791_21_1 =  1.6E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: R, ref: this
Hvpx____7791_21_1 =  7.2E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: R, ref: this
Hvpx____7791_21_1 =  7.8E+00                                  ! [atm] type: R, ref: 3949

! species:  chlorine dioxide
! formula:  ClO_2
! trivial:  
! casrn:    10049-04-4
! inchikey: OSVXSBDYLRYLIG-UHFFFAOYSA-N
Hvpx___10049_04_4 =  5.5E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx___10049_04_4 =  5.5E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx___10049_04_4 =  5.5E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx___10049_04_4 =  5.5E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx___10049_04_4 =  5.5E+01 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3857
Hvpx___10049_04_4 =  5.5E+01 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx___10049_04_4 =  5.3E+01 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3956
Hvpx___10049_04_4 =  5.0E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3965
Hvpx___10049_04_4 =  5.4E+01                                  ! [atm] type: M, ref: 3966
Hvpx___10049_04_4 =  8.3E+01 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3967
Hvpx___10049_04_4 =  5.7E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3969
Hvpx___10049_04_4 =  5.0E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3951
Hvpx___10049_04_4 =  5.6E+01                                  ! [atm] type: ?, ref: 3950
Hvpx___10049_04_4 =  5.5E+01 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811

! species:  perchloryl fluoride
! formula:  ClO_3F
! trivial:  
! casrn:    7616-94-6
! inchikey: XHFXMNZYIKFCPN-UHFFFAOYSA-N
Hvpx____7616_94_6 =  1.2E+04                                  ! [atm] type: Q, ref: 3728

! species:  nitrosyl chloride
! formula:  NOCl
! trivial:  
! casrn:    2696-92-6
! inchikey: VPCDQGACGWYTMC-UHFFFAOYSA-N
Hvpx____2696_92_6 =  1.1E+03                                  ! [atm] type: L, ref: 3500
Hvpx____2696_92_6 =  1.1E+03                                  ! [atm] type: L, ref: 3245
Hvpx____2696_92_6 =  1.1E+03                                  ! [atm] type: M, ref: 1060

! species:  nitryl chloride
! formula:  ClNO_2
! trivial:  
! casrn:    13444-90-1
! inchikey: HSSFHZJIMRUXDM-UHFFFAOYSA-M
Hvpx___13444_90_1 =  1.2E+03                                  ! [atm] type: E, ref: 937
Hvpx___13444_90_1 =  2.3E+03                                  ! [atm] type: E, ref: 536
Hvpx___13444_90_1 =  1.4E+03                                  ! [atm] type: ?, ref: 2360

! species:  chlorine nitrate
! formula:  ClNO_3
! trivial:  
! casrn:    14545-72-3
! inchikey: XYLGPCWDPLOBGP-UHFFFAOYSA-N
Hvpx___14545_72_3 =  7.8E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3961

! species:  chloramine
! formula:  NH_2Cl
! trivial:  chloramide
! casrn:    10599-90-3
! inchikey: QDHHCQZDFGDHMP-UHFFFAOYSA-N
Hvpx___10599_90_3 =  6.4E-01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx___10599_90_3 =  6.4E-01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx___10599_90_3 =  6.4E-01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx___10599_90_3 =  6.4E-01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx___10599_90_3 =  5.9E-01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 287
Hvpx___10599_90_3 =  1.2E+04                                  ! [atm] type: Q, ref: 3728

! species:  dichloramine
! formula:  NHCl_2
! trivial:  chlorimide
! casrn:    3400-09-7
! inchikey: JSYGRUBHOCKMGQ-UHFFFAOYSA-N
Hvpx____3400_09_7 =  1.9E+00 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____3400_09_7 =  1.9E+00 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____3400_09_7 =  1.9E+00 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____3400_09_7 =  1.9E+00 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx____3400_09_7 =  1.9E+00 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 287

! species:  nitrogen trichloride
! formula:  NCl_3
! trivial:  
! casrn:    10025-85-1
! inchikey: QEHKBHWEUPXBCW-UHFFFAOYSA-N
Hvpx___10025_85_1 =  5.5E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx___10025_85_1 =  5.5E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx___10025_85_1 =  5.5E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx___10025_85_1 =  5.5E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx___10025_85_1 =  5.5E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 287

! species:  bromine (molecular)
! formula:  Br_2
! trivial:  
! casrn:    7726-95-6
! inchikey: GDTBXPJZTBHREO-UHFFFAOYSA-N
Hvpx____7726_95_6 =  7.6E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____7726_95_6 =  7.6E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____7726_95_6 =  7.6E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____7726_95_6 =  7.6E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx____7726_95_6 =  3.0E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 759
Hvpx____7726_95_6 =  8.0E+01                                  ! [atm] type: M, ref: 627
Hvpx____7726_95_6 =  5.7E+01                                  ! [atm] type: M, ref: 753
Hvpx____7726_95_6 =  7.8E+01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 626
Hvpx____7726_95_6 =  4.0E+01                                  ! [atm] type: M, ref: 3934
Hvpx____7726_95_6 =  7.0E+01 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 862
Hvpx____7726_95_6 =  6.9E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 871
Hvpx____7726_95_6 =  6.6E+01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx____7726_95_6 =  6.9E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: R, ref: 753
Hvpx____7726_95_6 =  7.6E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: T, ref: 489
Hvpx____7726_95_6 =  5.9E+01                                  ! [atm] type: X, ref: giona69
Hvpx____7726_95_6 =  7.2E+01                                  ! [atm] type: ?, ref: 1038
Hvpx____7726_95_6 =  7.3E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379

! species:  bromine atom
! formula:  Br
! trivial:  
! casrn:    10097-32-2
! inchikey: WKBOTKDWSSQWDR-UHFFFAOYSA-N
Hvpx___10097_32_2 =  4.6E+01                                  ! [atm] type: T, ref: 189
Hvpx___10097_32_2 =  1.6E+03 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: T, ref: 763

! species:  hydrogen bromide
! formula:  HBr
! trivial:  
! casrn:    10035-10-6
! inchikey: CPELXLSAUQHCOX-UHFFFAOYSA-N
Hvpx___10035_10_6 =  8.0E+00                                  ! [atm] type: Q, ref: 3728
Hvpx___10035_10_6 =  2.2E+00 * EXP(   -250.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379

! species:  hypobromous acid
! formula:  HOBr
! trivial:  
! casrn:    13517-11-8
! inchikey: CUILPNURFADTPE-UHFFFAOYSA-N
Hvpx___13517_11_8 =  4.3E-02                                  ! [atm] type: L, ref: 3500
Hvpx___13517_11_8 =  4.3E-02                                  ! [atm] type: L, ref: 3245
Hvpx___13517_11_8 =  2.9E-02                                  ! [atm] type: M, ref: 288
Hvpx___13517_11_8 =  2.9E-02                                  ! [atm] type: M, ref: 3232
Hvpx___13517_11_8 =  3.1E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: T, ref: 276
Hvpx___13517_11_8 =  9.1E-03                                  ! [atm] type: E, ref: 937
Hvpx___13517_11_8 =  6.0E-01                                  ! [atm] type: E, ref: 446

! species:  nitryl bromide
! formula:  BrNO_2
! trivial:  
! casrn:    13536-70-4
! inchikey: SEYAFCXQVVHRPY-UHFFFAOYSA-M
Hvpx___13536_70_4 =  1.8E+02                                  ! [atm] type: E, ref: 937

! species:  bromine nitrate
! formula:  BrNO_3
! trivial:  
! casrn:    40423-14-1
! inchikey: RRTWEEAEXPZMPY-UHFFFAOYSA-N

! species:  bromine chloride
! formula:  BrCl
! trivial:  
! casrn:    13863-41-7
! inchikey: CODNYICXDISAEA-UHFFFAOYSA-N
Hvpx___13863_41_7 =  5.6E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx___13863_41_7 =  5.6E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx___13863_41_7 =  5.6E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx___13863_41_7 =  5.6E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx___13863_41_7 =  8.8E+00                                  ! [atm] type: M, ref: 1323
Hvpx___13863_41_7 =  3.7E+01                                  ! [atm] type: M, ref: 1018
Hvpx___13863_41_7 =  5.9E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1038
Hvpx___13863_41_7 =  1.3E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 759
Hvpx___13863_41_7 =  5.2E+01                                  ! [atm] type: T, ref: this
Hvpx___13863_41_7 =  7.9E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: E, ref: 3770
Hvpx___13863_41_7 =  9.4E+01                                  ! [atm] type: E, ref: 937

! species:  iodine (molecular)
! formula:  I_2
! trivial:  
! casrn:    7553-56-2
! inchikey: PNDPGZBMCMUPRI-UHFFFAOYSA-N
Hvpx____7553_56_2 =  2.0E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1149
Hvpx____7553_56_2 =  1.9E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx____7553_56_2 =  1.8E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: R, ref: 582
Hvpx____7553_56_2 =  1.8E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: R, ref: 763
Hvpx____7553_56_2 =  1.7E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: T, ref: 489
Hvpx____7553_56_2 =  5.0E+01                                  ! [atm] type: C, ref: 203

! species:  iodine atom
! formula:  I
! trivial:  
! casrn:    14362-44-8
! inchikey: ZCYVEMRRCGMTRW-UHFFFAOYSA-N
Hvpx___14362_44_8 =  6.9E+02                                  ! [atm] type: T, ref: 189
Hvpx___14362_44_8 =  8.8E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: T, ref: 763

! species:  hydrogen iodide
! formula:  HI
! trivial:  
! casrn:    10034-85-2
! inchikey: XMBWDFGMSWQBCA-UHFFFAOYSA-N
Hvpx___10034_85_2 =  2.2E+00 * EXP(  -9800.*(1./T-1./298.15)) ! [atm] type: E, ref: 3770

! species:  iodine monoxide
! formula:  IO
! trivial:  
! casrn:    14696-98-1
! inchikey: AFSVSXMRDKPOEW-UHFFFAOYSA-N
Hvpx___14696_98_1 =  1.2E-01                                  ! [atm] type: ?, ref: 3760

! species:  iodine dioxide
! formula:  OIO
! trivial:  
! casrn:    13494-92-3
! inchikey: WXDJHDMIIZKXSK-UHFFFAOYSA-N
Hvpx___13494_92_3 =  5.5E-03                                  ! [atm] type: ?, ref: 3760

! species:  diiodine dioxide
! formula:  I_2O_2
! trivial:  
! casrn:    215239-62-6
! inchikey: IELAHHPSAVYAOC-UHFFFAOYSA-N
Hvpx__215239_62_6 =  5.5E-03                                  ! [atm] type: ?, ref: 3760

! species:  diiodine trioxide
! formula:  I_2O_3
! trivial:  
! casrn:    11085-17-9
! inchikey: NMNCVPKLBXOKQA-UHFFFAOYSA-N
Hvpx___11085_17_9 =  5.5E-03                                  ! [atm] type: ?, ref: 3760

! species:  diiodine tetroxide
! formula:  I_2O_4
! trivial:  
! casrn:    1024652-24-1
! inchikey: XHTWXUOEQMOFEJ-UHFFFAOYSA-N
Hvpx_1024652_24_1 =  5.5E-03                                  ! [atm] type: ?, ref: 3760

! species:  hypoiodous acid
! formula:  HOI
! trivial:  
! casrn:    14332-21-9
! inchikey: GEOVEUCEIQCBKH-UHFFFAOYSA-N
Hvpx___14332_21_9 =  1.3E-01                                  ! [atm] type: C, ref: 582

! species:  iodine nitrite
! formula:  INO_2
! trivial:  
! casrn:    15465-40-4
! inchikey: PSZTWRLUACEPOW-UHFFFAOYSA-N
Hvpx___15465_40_4 =  1.8E+02                                  ! [atm] type: E, ref: 3771

! species:  iodine nitrate
! formula:  INO_3
! trivial:  
! casrn:    14696-81-2
! inchikey: CCJHDZZUWZIVJF-UHFFFAOYSA-N

! species:  iodine chloride
! formula:  ICl
! trivial:  
! casrn:    7790-99-0
! inchikey: QZRGKCOWNLSUDK-UHFFFAOYSA-N
Hvpx____7790_99_0 =  5.0E-01                                  ! [atm] type: T, ref: 489

! species:  iodine bromide
! formula:  IBr
! trivial:  
! casrn:    7789-33-5
! inchikey: CBEQRNSPHCCXSH-UHFFFAOYSA-N
Hvpx____7789_33_5 =  2.3E+00                                  ! [atm] type: T, ref: 489

! species:  sulfur
! formula:  S
! trivial:  
! casrn:    7704-34-9
! inchikey: NINIDFKCEFEMDL-UHFFFAOYSA-N
Hvpx____7704_34_9 =  2.7E-02                                  ! [atm] type: ?, ref: 3549

! species:  hydrogen sulfide
! formula:  H_2S
! trivial:  
! casrn:    7783-06-4
! inchikey: RWSOTUBLDIXVET-UHFFFAOYSA-N
Hvpx____7783_06_4 =  5.4E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____7783_06_4 =  5.4E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____7783_06_4 =  5.4E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____7783_06_4 =  5.4E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx____7783_06_4 =  5.3E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx____7783_06_4 =  5.4E+02 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: L, ref: 615
Hvpx____7783_06_4 =  5.4E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3863
Hvpx____7783_06_4 =  5.4E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3085
Hvpx____7783_06_4 =  5.4E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: L, ref: 540
Hvpx____7783_06_4 =  5.4E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7783_06_4 =  6.0E+02 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2929
Hvpx____7783_06_4 =  5.9E+02 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3534
Hvpx____7783_06_4 =  6.4E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 586
Hvpx____7783_06_4 =  5.1E+02 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 997
Hvpx____7783_06_4 =  4.6E+02 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3668
Hvpx____7783_06_4 =  5.8E+02 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2928
Hvpx____7783_06_4 =  5.4E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3917
Hvpx____7783_06_4 =  5.5E+02 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3718
Hvpx____7783_06_4 =  5.3E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 862
Hvpx____7783_06_4 =  4.8E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3933
Hvpx____7783_06_4 =  5.7E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: R, ref: 2630
Hvpx____7783_06_4 =  5.4E+02                                  ! [atm] type: R, ref: 714
Hvpx____7783_06_4 =  5.3E+02 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: T, ref: 3540
Hvpx____7783_06_4 =  7.8E+02                                  ! [atm] type: Q, ref: 3728
Hvpx____7783_06_4 =  5.4E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx____7783_06_4 =  5.4E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379

! species:  deuterium sulfide
! formula:  D_2S
! trivial:  
! casrn:    13536-94-2
! inchikey: RWSOTUBLDIXVET-ZSJDYOACSA-N
Hvpx___13536_94_2 =  5.5E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3917

! species:  sulfur dioxide
! formula:  SO_2
! trivial:  
! casrn:    7446-09-5
! inchikey: RAHZWNYVWXNFOC-UHFFFAOYSA-N
Hvpx____7446_09_5 =  4.1E+01 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____7446_09_5 =  4.1E+01 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____7446_09_5 =  4.1E+01 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____7446_09_5 =  4.1E+01 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx____7446_09_5 =  4.7E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3085
Hvpx____7446_09_5 =  4.1E+01 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3857
Hvpx____7446_09_5 =  4.5E+01 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: L, ref: 834
Hvpx____7446_09_5 =  4.5E+01 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 540
Hvpx____7446_09_5 =  4.0E+01 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7446_09_5 =  1.4E+00                                  ! [atm] type: M, ref: 3064
Hvpx____7446_09_5 =  4.5E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1072
Hvpx____7446_09_5 =  3.8E+01 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3933
Hvpx____7446_09_5 =  5.2E+01 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: V, ref: 3122
Hvpx____7446_09_5 =  4.5E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: T, ref: 87
Hvpx____7446_09_5 =  4.5E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: T, ref: 3540
Hvpx____7446_09_5 =  4.5E+01                                  ! [atm] type: X, ref: rodriguez2001
Hvpx____7446_09_5 =  4.5E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: C, ref: 34
Hvpx____7446_09_5 =  4.5E+01 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: C, ref: 821
Hvpx____7446_09_5 =  1.9E+01                                  ! [atm] type: Q, ref: 3728
Hvpx____7446_09_5 =  4.1E+01 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx____7446_09_5 =  3.7E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx____7446_09_5 =  4.5E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: ?, ref: 523
Hvpx____7446_09_5 =  4.4E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: ?, ref: 103

! species:  sulfur trioxide
! formula:  SO_3
! trivial:  
! casrn:    7446-11-9
! inchikey: AKEJUJNQAAGONA-UHFFFAOYSA-N
Hvpx____7446_11_9 =  1.1E+07                                  ! [atm] type: Q, ref: 3728

! species:  sulfuric acid
! formula:  H_2SO_4
! trivial:  
! casrn:    7664-93-9
! inchikey: QAOWNCQODCNURD-UHFFFAOYSA-N
Hvpx____7664_93_9 =  4.4E-14 * EXP( -20000.*(1./T-1./298.15)) ! [atm] type: T, ref: 140
Hvpx____7664_93_9 =  1.9E-08 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: T, ref: 1076

! species:  sulfur hexafluoride
! formula:  SF_6
! trivial:  
! casrn:    2551-62-4
! inchikey: SFZCNBIFKDRMGX-UHFFFAOYSA-N
Hvpx____2551_62_4 =  2.3E+05 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx____2551_62_4 =  2.2E+05 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx____2551_62_4 =  2.3E+05 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____2551_62_4 =  2.4E+05 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1776
Hvpx____2551_62_4 =  3.8E+05                                  ! [atm] type: M, ref: 2924
Hvpx____2551_62_4 =  2.3E+05                                  ! [atm] type: M, ref: 2486
Hvpx____2551_62_4 =  2.2E+05 * EXP(   -260.*(1./T-1./298.15)) ! [atm] type: M, ref: 3601
Hvpx____2551_62_4 =  3.2E+05                                  ! [atm] type: M, ref: 3786
Hvpx____2551_62_4 =  3.2E+05                                  ! [atm] type: M, ref: 3787
Hvpx____2551_62_4 =  2.3E+05 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2831
Hvpx____2551_62_4 =  2.5E+05 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3801
Hvpx____2551_62_4 =  2.5E+05                                  ! [atm] type: V, ref: 3078
Hvpx____2551_62_4 =  2.1E+05                                  ! [atm] type: Q, ref: 3728
Hvpx____2551_62_4 =  2.4E+04                                  ! [atm] type: Q, ref: 3730
Hvpx____2551_62_4 =  2.1E+04                                  ! [atm] type: Q, ref: 3586
Hvpx____2551_62_4 =  2.5E+05                                  ! [atm] type: ?, ref: 3586
Hvpx____2551_62_4 =  2.3E+05 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx____2551_62_4 =  2.8E+05                                  ! [atm] type: ?, ref: 3614

! species:  sulfuryl fluoride
! formula:  SO_2F_2
! trivial:  
! casrn:    2699-79-8
! inchikey: OBTWBSRJZRCYQV-UHFFFAOYSA-N
Hvpx____2699_79_8 =  6.1E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2203
Hvpx____2699_79_8 =  7.5E+03                                  ! [atm] type: V, ref: 3586
Hvpx____2699_79_8 =  1.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx____2699_79_8 =  8.7E+04                                  ! [atm] type: ?, ref: 3549

! species:  helium
! formula:  He
! trivial:  
! casrn:    7440-59-7
! inchikey: SWQJXJOGLNCZEY-UHFFFAOYSA-N
Hvpx____7440_59_7 =  1.4E+05 * EXP(    -15.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx____7440_59_7 =  1.4E+05 * EXP(    -83.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx____7440_59_7 =  1.4E+05 * EXP(    -83.*(1./T-1./298.15)) ! [atm] type: L, ref: 3849
Hvpx____7440_59_7 =  1.4E+05 * EXP(    -92.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7440_59_7 =  1.5E+05 * EXP(   -320.*(1./T-1./298.15)) ! [atm] type: L, ref: 3431
Hvpx____7440_59_7 =  1.4E+05 * EXP(    -69.*(1./T-1./298.15)) ! [atm] type: M, ref: 2436
Hvpx____7440_59_7 =  1.5E+05 * EXP(   -120.*(1./T-1./298.15)) ! [atm] type: M, ref: 764
Hvpx____7440_59_7 =  1.5E+05                                  ! [atm] type: M, ref: 3801
Hvpx____7440_59_7 =  1.4E+05 * EXP(   -210.*(1./T-1./298.15)) ! [atm] type: M, ref: 3789
Hvpx____7440_59_7 =  1.5E+05 * EXP(   -380.*(1./T-1./298.15)) ! [atm] type: M, ref: 3548
Hvpx____7440_59_7 =  8.7E+04 * EXP(    700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3714
Hvpx____7440_59_7 =  1.5E+05 * EXP(   -220.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx____7440_59_7 =  1.0E+05                                  ! [atm] type: T, ref: 766
Hvpx____7440_59_7 =  1.2E+05                                  ! [atm] type: Q, ref: 3728
Hvpx____7440_59_7 =  1.7E+05 * EXP(     -4.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3517
Hvpx____7440_59_7 =  1.7E+05 * EXP(    -71.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3517
Hvpx____7440_59_7 =  1.4E+05                                  ! [atm] type: Q, ref: 3550
Hvpx____7440_59_7 =  1.4E+05 * EXP(    -83.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx____7440_59_7 =  1.4E+05                                  ! [atm] type: ?, ref: 3614
Hvpx____7440_59_7 =  1.5E+05 * EXP(   -200.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx____7440_59_7 =  1.4E+05                                  ! [atm] type: ?, ref: 1500

! species:  neon
! formula:  Ne
! trivial:  
! casrn:    7440-01-9
! inchikey: GKAOGPIIYCISHV-UHFFFAOYSA-N
Hvpx____7440_01_9 =  1.2E+05 * EXP(   -430.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx____7440_01_9 =  1.2E+05 * EXP(   -470.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx____7440_01_9 =  1.2E+05 * EXP(   -470.*(1./T-1./298.15)) ! [atm] type: L, ref: 3849
Hvpx____7440_01_9 =  1.2E+05 * EXP(   -450.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7440_01_9 =  1.2E+05 * EXP(   -440.*(1./T-1./298.15)) ! [atm] type: M, ref: 2436
Hvpx____7440_01_9 =  1.2E+05 * EXP(   -510.*(1./T-1./298.15)) ! [atm] type: M, ref: 2557
Hvpx____7440_01_9 =  1.3E+05                                  ! [atm] type: M, ref: 3787
Hvpx____7440_01_9 =  1.2E+05 * EXP(   -460.*(1./T-1./298.15)) ! [atm] type: M, ref: 764
Hvpx____7440_01_9 =  1.2E+05 * EXP(    -37.*(1./T-1./298.15)) ! [atm] type: M, ref: 3789
Hvpx____7440_01_9 =  8.3E+04 * EXP(    990.*(1./T-1./298.15)) ! [atm] type: M, ref: 3714
Hvpx____7440_01_9 =  1.2E+05 * EXP(   -510.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx____7440_01_9 =  6.2E+04                                  ! [atm] type: T, ref: 766
Hvpx____7440_01_9 =  1.2E+05                                  ! [atm] type: Q, ref: 3728
Hvpx____7440_01_9 =  1.6E+05 * EXP(   -250.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3517
Hvpx____7440_01_9 =  1.2E+05 * EXP(   -470.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3517
Hvpx____7440_01_9 =  1.5E+05                                  ! [atm] type: Q, ref: 3550
Hvpx____7440_01_9 =  1.2E+05 * EXP(   -470.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx____7440_01_9 =  1.2E+05                                  ! [atm] type: ?, ref: 3614
Hvpx____7440_01_9 =  1.2E+05 * EXP(   -550.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx____7440_01_9 =  1.2E+05                                  ! [atm] type: ?, ref: 1500

! species:  argon
! formula:  Ar
! trivial:  
! casrn:    7440-37-1
! inchikey: XKRFYHLGVUSROY-UHFFFAOYSA-N
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx____7440_37_1 =  3.9E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3851
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2435
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2436
Hvpx____7440_37_1 =  4.0E+04                                  ! [atm] type: M, ref: 2486
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2557
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3601
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3547
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3567
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3785
Hvpx____7440_37_1 =  3.9E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2831
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 764
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3801
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3789
Hvpx____7440_37_1 =  3.4E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3714
Hvpx____7440_37_1 =  3.8E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 862
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx____7440_37_1 =  3.1E+04                                  ! [atm] type: T, ref: 766
Hvpx____7440_37_1 =  5.8E+04                                  ! [atm] type: Q, ref: 3728
Hvpx____7440_37_1 =  7.0E+04 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3517
Hvpx____7440_37_1 =  5.2E+04 * EXP(  -1100.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3517
Hvpx____7440_37_1 =  4.7E+04                                  ! [atm] type: Q, ref: 3550
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx____7440_37_1 =  4.6E+04                                  ! [atm] type: ?, ref: 3614
Hvpx____7440_37_1 =  4.0E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx____7440_37_1 =  4.0E+04                                  ! [atm] type: ?, ref: 1500

! species:  krypton
! formula:  Kr
! trivial:  
! casrn:    7439-90-9
! inchikey: DNNSSWSSYDEUBZ-UHFFFAOYSA-N
Hvpx____7439_90_9 =  2.2E+04 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx____7439_90_9 =  2.2E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx____7439_90_9 =  2.2E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3850
Hvpx____7439_90_9 =  2.2E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7439_90_9 =  2.8E+04                                  ! [atm] type: L, ref: 2441
Hvpx____7439_90_9 =  2.1E+04 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx____7439_90_9 =  2.2E+04 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2436
Hvpx____7439_90_9 =  2.2E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2557
Hvpx____7439_90_9 =  2.1E+04 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3601
Hvpx____7439_90_9 =  2.3E+04 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: M, ref: 764
Hvpx____7439_90_9 =  1.6E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3714
Hvpx____7439_90_9 =  2.0E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3714
Hvpx____7439_90_9 =  2.3E+04 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx____7439_90_9 =  1.2E+04                                  ! [atm] type: T, ref: 766
Hvpx____7439_90_9 =  2.1E+04                                  ! [atm] type: Q, ref: 3728
Hvpx____7439_90_9 =  3.7E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3517
Hvpx____7439_90_9 =  3.5E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3517
Hvpx____7439_90_9 =  2.2E+04                                  ! [atm] type: Q, ref: 3550
Hvpx____7439_90_9 =  2.2E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx____7439_90_9 =  2.7E+04                                  ! [atm] type: ?, ref: 3614
Hvpx____7439_90_9 =  2.2E+04 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx____7439_90_9 =  2.2E+04                                  ! [atm] type: ?, ref: 1500

! species:  xenon
! formula:  Xe
! trivial:  
! casrn:    7440-63-3
! inchikey: FHNFHKCVQCLJFQ-UHFFFAOYSA-N
Hvpx____7440_63_3 =  1.2E+04 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx____7440_63_3 =  1.3E+04 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx____7440_63_3 =  1.3E+04 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3850
Hvpx____7440_63_3 =  1.3E+04 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7440_63_3 =  1.7E+04                                  ! [atm] type: L, ref: 2441
Hvpx____7440_63_3 =  1.2E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx____7440_63_3 =  1.3E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3431
Hvpx____7440_63_3 =  1.3E+04 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2436
Hvpx____7440_63_3 =  1.3E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2557
Hvpx____7440_63_3 =  1.3E+04 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: M, ref: 764
Hvpx____7440_63_3 =  1.2E+04 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3714
Hvpx____7440_63_3 =  1.3E+04 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx____7440_63_3 =  1.0E+04                                  ! [atm] type: T, ref: 766
Hvpx____7440_63_3 =  2.2E+04                                  ! [atm] type: Q, ref: 3728
Hvpx____7440_63_3 =  7.8E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3517
Hvpx____7440_63_3 =  1.9E+04 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3517
Hvpx____7440_63_3 =  6.6E+03                                  ! [atm] type: Q, ref: 3550
Hvpx____7440_63_3 =  1.3E+04 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx____7440_63_3 =  1.6E+04                                  ! [atm] type: ?, ref: 3614
Hvpx____7440_63_3 =  1.1E+04 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx____7440_63_3 =  1.3E+04                                  ! [atm] type: ?, ref: 1500

! species:  xenon-133
! formula:  ^{133}Xe
! trivial:  
! casrn:    14932-42-4
! inchikey: FHNFHKCVQCLJFQ-NJFSPNSNSA-N
Hvpx___14932_42_4 =  1.7E+04                                  ! [atm] type: M, ref: 3700

! species:  radon
! formula:  Rn
! trivial:  
! casrn:    10043-92-2
! inchikey: SYUHGPGVQRZVTB-UHFFFAOYSA-N
Hvpx___10043_92_2 =  6.0E+03 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx___10043_92_2 =  6.0E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3850
Hvpx___10043_92_2 =  6.0E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx___10043_92_2 =  5.8E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3545
Hvpx___10043_92_2 =  5.3E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3546
Hvpx___10043_92_2 =  4.5E+03                                  ! [atm] type: T, ref: 766
Hvpx___10043_92_2 =  5.5E+03                                  ! [atm] type: Q, ref: 3728
Hvpx___10043_92_2 =  7.3E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3517
Hvpx___10043_92_2 =  6.0E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx___10043_92_2 =  6.6E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx___10043_92_2 =  6.0E+03                                  ! [atm] type: ?, ref: 1500

! species:  boric acid
! formula:  H_3BO_3
! trivial:  
! casrn:    10043-35-3
! inchikey: KGBXLFKZBHKPEV-UHFFFAOYSA-N
Hvpx___10043_35_3 =  1.4E-07                                  ! [atm] type: V, ref: 3088

! species:  selenium hydride
! formula:  H_2Se
! trivial:  
! casrn:    7783-07-5
! inchikey: BUGBHKTXTAQXES-UHFFFAOYSA-N
Hvpx____7783_07_5 =  6.7E+02 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3863
Hvpx____7783_07_5 =  6.6E+02 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7783_07_5 =  6.6E+02 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3808

! species:  phosphorus trihydride
! formula:  PH_3
! trivial:  phosphine
! casrn:    7803-51-2
! inchikey: XYFCBTPGUUZFHI-UHFFFAOYSA-N
Hvpx____7803_51_2 =  6.8E+03 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx____7803_51_2 =  9.2E+03 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3033
Hvpx____7803_51_2 =  6.8E+03 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811

! species:  arsenic hydride
! formula:  AsH_3
! trivial:  arsine
! casrn:    7784-42-1
! inchikey: RQNWIZPPADIBDY-UHFFFAOYSA-N
Hvpx____7784_42_1 =  6.2E+03 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: L, ref: 190

! species:  mercury
! formula:  Hg
! trivial:  
! casrn:    7439-97-6
! inchikey: QSHDDOUJBYECFT-UHFFFAOYSA-N
Hvpx____7439_97_6 =  4.3E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____7439_97_6 =  4.3E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____7439_97_6 =  4.7E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3862
Hvpx____7439_97_6 =  4.9E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 2279
Hvpx____7439_97_6 =  4.3E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2820
Hvpx____7439_97_6 =  4.3E+02 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2280
Hvpx____7439_97_6 =  6.3E+02                                  ! [atm] type: V, ref: 2471
Hvpx____7439_97_6 =  4.8E+02 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2578
Hvpx____7439_97_6 =  4.6E+02                                  ! [atm] type: C, ref: 2285
Hvpx____7439_97_6 =  3.9E+02                                  ! [atm] type: C, ref: 3070
Hvpx____7439_97_6 =  4.0E+02                                  ! [atm] type: ?, ref: 2171
Hvpx____7439_97_6 =  4.3E+02 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: ?, ref: 2171
Hvpx____7439_97_6 =  4.1E+02                                  ! [atm] type: ?, ref: 2286
Hvpx____7439_97_6 =  6.0E+02                                  ! [atm] type: ?, ref: 695

! species:  mercury(II) oxide
! formula:  HgO
! trivial:  
! casrn:    21908-53-2
! inchikey: UKWHYYKOEPRTIC-UHFFFAOYSA-N
Hvpx___21908_53_2 =  1.7E-05                                  ! [atm] type: ?, ref: 2285
Hvpx___21908_53_2 =  2.1E-11                                  ! [atm] type: ?, ref: 2171
Hvpx___21908_53_2 =  3.9E-05                                  ! [atm] type: ?, ref: 2286

! species:  mercury dihydroxide
! formula:  Hg(OH)_2
! trivial:  
! casrn:    12135-13-6
! inchikey: VLKKXDVIWIBHHS-UHFFFAOYSA-L
Hvpx___12135_13_6 =  4.3E-03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: C, ref: 3070
Hvpx___12135_13_6 =  4.3E-03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: C, ref: 2290

! species:  mercury dichloride
! formula:  HgCl_2
! trivial:  
! casrn:    7487-94-7
! inchikey: LWJROJCJINYWOX-UHFFFAOYSA-L
Hvpx____7487_94_7 =  5.3E-04                                  ! [atm] type: M, ref: 2572
Hvpx____7487_94_7 =  3.4E-05                                  ! [atm] type: V, ref: 2577
Hvpx____7487_94_7 =  1.3E-05                                  ! [atm] type: V, ref: 2577
Hvpx____7487_94_7 =  4.2E-05 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: R, ref: 2571
Hvpx____7487_94_7 =  2.3E-06                                  ! [atm] type: C, ref: 2285
Hvpx____7487_94_7 =  3.9E-05 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: C, ref: 3070
Hvpx____7487_94_7 =  3.9E-05 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: C, ref: 2290
Hvpx____7487_94_7 =  1.3E-05 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577
Hvpx____7487_94_7 =  2.0E-05                                  ! [atm] type: ?, ref: 2171
Hvpx____7487_94_7 =  3.9E-05 * EXP(  -9500.*(1./T-1./298.15)) ! [atm] type: ?, ref: 2570
Hvpx____7487_94_7 =  8.7E-04                                  ! [atm] type: ?, ref: 2576

! species:  mercury dibromide
! formula:  HgBr_2
! trivial:  
! casrn:    7789-47-1
! inchikey: NGYIMTKLQULBOO-UHFFFAOYSA-L
Hvpx____7789_47_1 =  4.7E-04                                  ! [atm] type: V, ref: 2577
Hvpx____7789_47_1 =  5.7E-04 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: C, ref: 2571
Hvpx____7789_47_1 =  1.2E-04 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577
Hvpx____7789_47_1 =  2.0E-05                                  ! [atm] type: ?, ref: 2169
Hvpx____7789_47_1 =  1.0E-02                                  ! [atm] type: ?, ref: 2576

! species:  mercury diiodide
! formula:  HgI_2
! trivial:  
! casrn:    7774-29-0
! inchikey: YFDLHELOZYVNJE-UHFFFAOYSA-L
Hvpx____7774_29_0 =  9.6E-03                                  ! [atm] type: V, ref: 2577
Hvpx____7774_29_0 =  2.8E-03 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577
Hvpx____7774_29_0 =  2.8E-01                                  ! [atm] type: ?, ref: 2576

! species:  methane
! formula:  CH_4
! trivial:  
! casrn:    74-82-8
! inchikey: VNWKTOKETHGBQD-UHFFFAOYSA-N
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_82_8 =  4.6E+04 * EXP(  -1100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_82_8 =  4.6E+04 * EXP(  -1100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx______74_82_8 =  3.7E+04                                  ! [atm] type: L, ref: 479
Hvpx______74_82_8 =  4.0E+04 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______74_82_8 =  4.2E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3431
Hvpx______74_82_8 =  3.5E+04                                  ! [atm] type: M, ref: 3695
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3690
Hvpx______74_82_8 =  4.6E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3126
Hvpx______74_82_8 =  4.0E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3569
Hvpx______74_82_8 =  4.7E+04                                  ! [atm] type: M, ref: 2924
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3734
Hvpx______74_82_8 =  4.0E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2557
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 491
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3601
Hvpx______74_82_8 =  4.0E+04 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3785
Hvpx______74_82_8 =  3.5E+04                                  ! [atm] type: M, ref: 3924
Hvpx______74_82_8 =  3.8E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3799
Hvpx______74_82_8 =  3.5E+04                                  ! [atm] type: M, ref: 3923
Hvpx______74_82_8 =  4.1E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3783
Hvpx______74_82_8 =  4.1E+04 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2834
Hvpx______74_82_8 =  3.6E+04                                  ! [atm] type: V, ref: 3586
Hvpx______74_82_8 =  3.7E+04                                  ! [atm] type: V, ref: 3088
Hvpx______74_82_8 =  3.6E+04                                  ! [atm] type: V, ref: 1145
Hvpx______74_82_8 =  3.6E+04                                  ! [atm] type: V, ref: 642
Hvpx______74_82_8 =  4.1E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx______74_82_8 =  6.0E+03                                  ! [atm] type: V, ref: 713
Hvpx______74_82_8 =  3.9E+04                                  ! [atm] type: R, ref: 714
Hvpx______74_82_8 =  3.9E+04                                  ! [atm] type: T, ref: 766
Hvpx______74_82_8 =  5.7E+04                                  ! [atm] type: C, ref: 563
Hvpx______74_82_8 =  4.1E+04                                  ! [atm] type: C, ref: 529
Hvpx______74_82_8 =  5.1E+04                                  ! [atm] type: Q, ref: 3728
Hvpx______74_82_8 =  1.6E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______74_82_8 =  7.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx______74_82_8 =  2.2E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______74_82_8 =  1.8E+04                                  ! [atm] type: Q, ref: 3731
Hvpx______74_82_8 =  1.8E+04                                  ! [atm] type: Q, ref: 2543
Hvpx______74_82_8 =  6.3E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______74_82_8 =  3.3E+04                                  ! [atm] type: Q, ref: 984
Hvpx______74_82_8 =  2.6E+04                                  ! [atm] type: Q, ref: 1162
Hvpx______74_82_8 =  2.3E+04                                  ! [atm] type: Q, ref: 1145
Hvpx______74_82_8 =  3.5E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______74_82_8 =  3.9E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx______74_82_8 =  4.6E+04                                  ! [atm] type: ?, ref: 3614
Hvpx______74_82_8 =  4.1E+04 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx______74_82_8 =  3.5E+04                                  ! [atm] type: ?, ref: 789
Hvpx______74_82_8 =  3.8E+04                                  ! [atm] type: ?, ref: 1500

! species:  ethane
! formula:  C_2H_6
! trivial:  
! casrn:    74-84-0
! inchikey: OTMSDBZUPAUEDD-UHFFFAOYSA-N
Hvpx______74_84_0 =  2.9E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_84_0 =  2.9E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_84_0 =  2.9E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______74_84_0 =  2.9E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______74_84_0 =  2.9E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx______74_84_0 =  2.9E+04 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______74_84_0 =  2.9E+04 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx______74_84_0 =  2.9E+04 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3855
Hvpx______74_84_0 =  2.8E+04                                  ! [atm] type: L, ref: 479
Hvpx______74_84_0 =  3.0E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______74_84_0 =  2.7E+04 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______74_84_0 =  4.3E+04                                  ! [atm] type: M, ref: 2924
Hvpx______74_84_0 =  3.0E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3734
Hvpx______74_84_0 =  2.9E+04 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 491
Hvpx______74_84_0 =  3.0E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3601
Hvpx______74_84_0 =  2.7E+04                                  ! [atm] type: M, ref: 3924
Hvpx______74_84_0 =  2.8E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3799
Hvpx______74_84_0 =  2.7E+04                                  ! [atm] type: M, ref: 3923
Hvpx______74_84_0 =  3.3E+04 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3783
Hvpx______74_84_0 =  3.0E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2834
Hvpx______74_84_0 =  2.8E+04                                  ! [atm] type: V, ref: 3586
Hvpx______74_84_0 =  2.8E+04                                  ! [atm] type: V, ref: 3088
Hvpx______74_84_0 =  2.8E+04                                  ! [atm] type: V, ref: 642
Hvpx______74_84_0 =  3.3E+04 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx______74_84_0 =  5.2E+03                                  ! [atm] type: V, ref: 713
Hvpx______74_84_0 =  1.4E+04                                  ! [atm] type: T, ref: 766
Hvpx______74_84_0 =  2.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______74_84_0 =  3.0E+04                                  ! [atm] type: C, ref: 529
Hvpx______74_84_0 =  3.1E+04                                  ! [atm] type: Q, ref: 3728
Hvpx______74_84_0 =  4.2E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______74_84_0 =  5.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______74_84_0 =  4.8E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______74_84_0 =  2.7E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______74_84_0 =  2.8E+04                                  ! [atm] type: Q, ref: 3689
Hvpx______74_84_0 =  1.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx______74_84_0 =  2.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______74_84_0 =  4.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______74_84_0 =  2.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______74_84_0 =  1.3E+04                                  ! [atm] type: Q, ref: 3579
Hvpx______74_84_0 =  2.7E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______74_84_0 =  7.0E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______74_84_0 =  1.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx______74_84_0 =  2.6E+04                                  ! [atm] type: Q, ref: 2535
Hvpx______74_84_0 =  2.6E+04                                  ! [atm] type: Q, ref: 3731
Hvpx______74_84_0 =  3.1E+04                                  ! [atm] type: Q, ref: 2543
Hvpx______74_84_0 =  3.6E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______74_84_0 =  2.2E+04                                  ! [atm] type: Q, ref: 1162
Hvpx______74_84_0 =  2.5E+04                                  ! [atm] type: Q, ref: 2482
Hvpx______74_84_0 =  5.1E+04                                  ! [atm] type: Q, ref: 2550
Hvpx______74_84_0 =  2.7E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______74_84_0 =  2.9E+04 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx______74_84_0 =  3.7E+04                                  ! [atm] type: ?, ref: 3614
Hvpx______74_84_0 =  3.0E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx______74_84_0 =  2.7E+04                                  ! [atm] type: ?, ref: 789
Hvpx______74_84_0 =  2.9E+04                                  ! [atm] type: ?, ref: 1500

! species:  propane
! formula:  C_3H_8
! trivial:  
! casrn:    74-98-6
! inchikey: ATUOYWHBWRKTHZ-UHFFFAOYSA-N
Hvpx______74_98_6 =  3.7E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_98_6 =  3.7E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_98_6 =  3.7E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______74_98_6 =  3.7E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______74_98_6 =  3.6E+04 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______74_98_6 =  3.7E+04 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx______74_98_6 =  3.7E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3860
Hvpx______74_98_6 =  3.9E+04                                  ! [atm] type: L, ref: 479
Hvpx______74_98_6 =  3.7E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______74_98_6 =  3.5E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3129
Hvpx______74_98_6 =  3.7E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______74_98_6 =  5.6E+04                                  ! [atm] type: M, ref: 2924
Hvpx______74_98_6 =  3.8E+04 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3734
Hvpx______74_98_6 =  3.8E+04                                  ! [atm] type: M, ref: 3924
Hvpx______74_98_6 =  3.5E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3799
Hvpx______74_98_6 =  3.8E+04                                  ! [atm] type: M, ref: 3923
Hvpx______74_98_6 =  3.7E+04 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3783
Hvpx______74_98_6 =  3.9E+04                                  ! [atm] type: V, ref: 3586
Hvpx______74_98_6 =  3.9E+04                                  ! [atm] type: V, ref: 3088
Hvpx______74_98_6 =  3.9E+04                                  ! [atm] type: V, ref: 642
Hvpx______74_98_6 =  3.7E+04 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx______74_98_6 =  3.6E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx______74_98_6 =  4.3E+04                                  ! [atm] type: V, ref: 2550
Hvpx______74_98_6 =  3.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______74_98_6 =  4.0E+04                                  ! [atm] type: C, ref: 529
Hvpx______74_98_6 =  3.3E+04                                  ! [atm] type: Q, ref: 3728
Hvpx______74_98_6 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx______74_98_6 =  6.3E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______74_98_6 =  5.8E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______74_98_6 =  2.9E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______74_98_6 =  1.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx______74_98_6 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______74_98_6 =  4.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______74_98_6 =  4.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______74_98_6 =  2.3E+04                                  ! [atm] type: Q, ref: 3579
Hvpx______74_98_6 =  3.9E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______74_98_6 =  7.6E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______74_98_6 =  1.5E+05                                  ! [atm] type: Q, ref: 3512
Hvpx______74_98_6 =  3.9E+04                                  ! [atm] type: Q, ref: 2535
Hvpx______74_98_6 =  2.7E+04                                  ! [atm] type: Q, ref: 3731
Hvpx______74_98_6 =  4.0E+04                                  ! [atm] type: Q, ref: 2543
Hvpx______74_98_6 =  3.6E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______74_98_6 =  3.2E+04                                  ! [atm] type: Q, ref: 1162
Hvpx______74_98_6 =  3.5E+04                                  ! [atm] type: Q, ref: 2482
Hvpx______74_98_6 =  4.2E+04                                  ! [atm] type: Q, ref: 2550
Hvpx______74_98_6 =  3.8E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______74_98_6 =  3.6E+04 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx______74_98_6 =  3.8E+04                                  ! [atm] type: ?, ref: 789
Hvpx______74_98_6 =  3.7E+04                                  ! [atm] type: ?, ref: 1500

! species:  butane
! formula:  C_4H_{10}
! trivial:  
! casrn:    106-97-8
! inchikey: IJDNQMDRQITEOD-UHFFFAOYSA-N
Hvpx_____106_97_8 =  4.5E+04 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____106_97_8 =  4.5E+04 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____106_97_8 =  4.5E+04 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____106_97_8 =  4.5E+04 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____106_97_8 =  4.4E+04 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____106_97_8 =  4.3E+04 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx_____106_97_8 =  4.5E+04 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3860
Hvpx_____106_97_8 =  5.2E+04                                  ! [atm] type: L, ref: 479
Hvpx_____106_97_8 =  4.6E+04 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____106_97_8 =  4.2E+04 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3124
Hvpx_____106_97_8 =  6.8E+04                                  ! [atm] type: M, ref: 2924
Hvpx_____106_97_8 =  4.6E+04 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3734
Hvpx_____106_97_8 =  5.1E+04                                  ! [atm] type: M, ref: 3924
Hvpx_____106_97_8 =  4.3E+04 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3799
Hvpx_____106_97_8 =  5.1E+04                                  ! [atm] type: M, ref: 3923
Hvpx_____106_97_8 =  4.8E+04 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3783
Hvpx_____106_97_8 =  5.3E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____106_97_8 =  5.3E+04                                  ! [atm] type: V, ref: 3088
Hvpx_____106_97_8 =  5.2E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____106_97_8 =  5.2E+04                                  ! [atm] type: V, ref: 635
Hvpx_____106_97_8 =  5.7E+04                                  ! [atm] type: V, ref: 2439
Hvpx_____106_97_8 =  5.1E+04                                  ! [atm] type: V, ref: 642
Hvpx_____106_97_8 =  4.8E+04 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx_____106_97_8 =  4.4E+04 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx_____106_97_8 =  4.5E+04                                  ! [atm] type: V, ref: 2550
Hvpx_____106_97_8 =  1.1E+04                                  ! [atm] type: V, ref: 713
Hvpx_____106_97_8 =  5.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_97_8 =  5.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_97_8 =  4.9E+04                                  ! [atm] type: C, ref: 529
Hvpx_____106_97_8 =  3.3E+04                                  ! [atm] type: Q, ref: 3682
Hvpx_____106_97_8 =  3.4E+04                                  ! [atm] type: Q, ref: 3728
Hvpx_____106_97_8 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_97_8 =  7.0E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_97_8 =  5.0E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_97_8 =  3.1E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_97_8 =  5.1E+04                                  ! [atm] type: Q, ref: 3689
Hvpx_____106_97_8 =  1.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_97_8 =  4.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_97_8 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_97_8 =  5.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_97_8 =  3.9E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____106_97_8 =  4.7E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_97_8 =  1.6E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____106_97_8 =  4.9E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_97_8 =  3.4E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____106_97_8 =  5.3E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_97_8 =  3.6E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_97_8 =  4.1E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____106_97_8 =  4.4E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____106_97_8 =  4.5E+04                                  ! [atm] type: Q, ref: 2550
Hvpx_____106_97_8 =  5.1E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____106_97_8 =  4.5E+04 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx_____106_97_8 =  5.1E+04                                  ! [atm] type: ?, ref: 789
Hvpx_____106_97_8 =  4.5E+04                                  ! [atm] type: ?, ref: 1500

! species:  2-methylpropane
! formula:  HC(CH_3)_3
! trivial:  isobutane
! casrn:    75-28-5
! inchikey: NNPPMTNAJDCUHE-UHFFFAOYSA-N
Hvpx______75_28_5 =  6.0E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_28_5 =  6.0E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_28_5 =  6.0E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_28_5 =  6.0E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______75_28_5 =  5.9E+04 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______75_28_5 =  6.0E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3860
Hvpx______75_28_5 =  6.6E+04                                  ! [atm] type: L, ref: 479
Hvpx______75_28_5 =  6.8E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______75_28_5 =  5.1E+03 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3117
Hvpx______75_28_5 =  6.4E+04                                  ! [atm] type: M, ref: 3924
Hvpx______75_28_5 =  5.5E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3799
Hvpx______75_28_5 =  6.4E+04                                  ! [atm] type: M, ref: 3923
Hvpx______75_28_5 =  6.6E+04                                  ! [atm] type: V, ref: 3586
Hvpx______75_28_5 =  6.6E+04                                  ! [atm] type: V, ref: 3088
Hvpx______75_28_5 =  6.6E+04                                  ! [atm] type: V, ref: 2611
Hvpx______75_28_5 =  6.6E+04                                  ! [atm] type: V, ref: 635
Hvpx______75_28_5 =  6.5E+04                                  ! [atm] type: V, ref: 642
Hvpx______75_28_5 =  5.7E+04                                  ! [atm] type: V, ref: 2550
Hvpx______75_28_5 =  6.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_28_5 =  4.1E+04                                  ! [atm] type: Q, ref: 3728
Hvpx______75_28_5 =  3.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx______75_28_5 =  6.6E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______75_28_5 =  1.0E+05                                  ! [atm] type: Q, ref: 3409
Hvpx______75_28_5 =  2.7E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______75_28_5 =  1.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx______75_28_5 =  4.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______75_28_5 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______75_28_5 =  5.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______75_28_5 =  3.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx______75_28_5 =  9.8E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______75_28_5 =  9.5E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______75_28_5 =  1.5E+05                                  ! [atm] type: Q, ref: 3512
Hvpx______75_28_5 =  6.5E+04                                  ! [atm] type: Q, ref: 2535
Hvpx______75_28_5 =  6.5E+04                                  ! [atm] type: Q, ref: 2535
Hvpx______75_28_5 =  5.6E+04                                  ! [atm] type: Q, ref: 3731
Hvpx______75_28_5 =  5.3E+04                                  ! [atm] type: Q, ref: 2543
Hvpx______75_28_5 =  3.6E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______75_28_5 =  4.8E+04                                  ! [atm] type: Q, ref: 1162
Hvpx______75_28_5 =  5.4E+04                                  ! [atm] type: Q, ref: 2482
Hvpx______75_28_5 =  5.0E+04                                  ! [atm] type: Q, ref: 2550
Hvpx______75_28_5 =  6.4E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______75_28_5 =  6.0E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx______75_28_5 =  6.4E+04                                  ! [atm] type: ?, ref: 789
Hvpx______75_28_5 =  6.8E+04                                  ! [atm] type: ?, ref: 1500
Hvpx______75_28_5 =  6.9E+04                                  ! [atm] type: ?, ref: 2226

! species:  pentane
! formula:  C_5H_{12}
! trivial:  
! casrn:    109-66-0
! inchikey: OFBQJSOFQDEBGM-UHFFFAOYSA-N
Hvpx_____109_66_0 =  7.6E+04 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____109_66_0 =  6.3E+04 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____109_66_0 =  6.8E+04 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx_____109_66_0 =  6.8E+04                                  ! [atm] type: L, ref: 479
Hvpx_____109_66_0 =  6.3E+04 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2910
Hvpx_____109_66_0 =  6.6E+04 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2909
Hvpx_____109_66_0 =  7.0E+04                                  ! [atm] type: M, ref: 2218
Hvpx_____109_66_0 =  7.0E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____109_66_0 =  7.0E+04                                  ! [atm] type: V, ref: 635
Hvpx_____109_66_0 =  6.6E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____109_66_0 =  7.0E+04                                  ! [atm] type: V, ref: 2388
Hvpx_____109_66_0 =  6.9E+04                                  ! [atm] type: V, ref: 642
Hvpx_____109_66_0 =  6.6E+04                                  ! [atm] type: V, ref: 3924
Hvpx_____109_66_0 =  6.6E+04                                  ! [atm] type: V, ref: 3923
Hvpx_____109_66_0 =  7.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_66_0 =  7.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_66_0 =  4.2E+04                                  ! [atm] type: Q, ref: 3682
Hvpx_____109_66_0 =  1.1E+04                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_66_0 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_66_0 =  8.4E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_66_0 =  5.8E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_66_0 =  3.2E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_66_0 =  1.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____109_66_0 =  7.0E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_66_0 =  4.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_66_0 =  7.0E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_66_0 =  6.6E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____109_66_0 =  5.5E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_66_0 =  8.3E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_66_0 =  1.7E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____109_66_0 =  6.5E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_66_0 =  3.5E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____109_66_0 =  6.8E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_66_0 =  3.6E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_66_0 =  5.4E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____109_66_0 =  5.5E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____109_66_0 =  6.9E+04                                  ! [atm] type: ?, ref: 3586
Hvpx_____109_66_0 =  7.0E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____109_66_0 =  1.1E+05                                  ! [atm] type: ?, ref: 3614
Hvpx_____109_66_0 =  7.0E+04                                  ! [atm] type: ?, ref: 789
Hvpx_____109_66_0 =  6.8E+04                                  ! [atm] type: ?, ref: 1500

! species:  2-methylbutane
! formula:  C_5H_{12}
! trivial:  isopentane
! casrn:    78-78-4
! inchikey: QWTDNUCVQCZILF-UHFFFAOYSA-N
Hvpx______78_78_4 =  7.1E+04 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______78_78_4 =  7.5E+04                                  ! [atm] type: L, ref: 479
Hvpx______78_78_4 =  7.7E+04                                  ! [atm] type: V, ref: 3586
Hvpx______78_78_4 =  7.7E+04                                  ! [atm] type: V, ref: 3088
Hvpx______78_78_4 =  7.6E+04                                  ! [atm] type: V, ref: 2611
Hvpx______78_78_4 =  2.6E+05                                  ! [atm] type: V, ref: 635
Hvpx______78_78_4 =  7.6E+04                                  ! [atm] type: V, ref: 2478
Hvpx______78_78_4 =  7.6E+04                                  ! [atm] type: V, ref: 1910
Hvpx______78_78_4 =  7.2E+04                                  ! [atm] type: V, ref: 3924
Hvpx______78_78_4 =  7.2E+04                                  ! [atm] type: V, ref: 3923
Hvpx______78_78_4 =  7.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_78_4 =  3.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx______78_78_4 =  7.5E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______78_78_4 =  9.1E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______78_78_4 =  2.7E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______78_78_4 =  1.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx______78_78_4 =  7.0E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______78_78_4 =  7.0E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______78_78_4 =  7.0E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______78_78_4 =  6.4E+04                                  ! [atm] type: Q, ref: 3579
Hvpx______78_78_4 =  8.5E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______78_78_4 =  7.6E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______78_78_4 =  1.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx______78_78_4 =  9.4E+04                                  ! [atm] type: Q, ref: 2535
Hvpx______78_78_4 =  6.5E+04                                  ! [atm] type: Q, ref: 3731
Hvpx______78_78_4 =  6.9E+04                                  ! [atm] type: Q, ref: 2543
Hvpx______78_78_4 =  3.7E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______78_78_4 =  6.5E+04                                  ! [atm] type: Q, ref: 984
Hvpx______78_78_4 =  7.6E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______78_78_4 =  7.6E+04                                  ! [atm] type: ?, ref: 789

! species:  dimethylpropane
! formula:  C(CH_3)_4
! trivial:  neopentane
! casrn:    463-82-1
! inchikey: CRSOQBOWXPBRES-UHFFFAOYSA-N
Hvpx_____463_82_1 =  9.1E+04 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____463_82_1 =  2.0E+05                                  ! [atm] type: L, ref: 479
Hvpx_____463_82_1 =  9.3E+04 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____463_82_1 =  9.9E+04 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3785
Hvpx_____463_82_1 =  1.2E+05                                  ! [atm] type: M, ref: 3924
Hvpx_____463_82_1 =  8.7E+04 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3799
Hvpx_____463_82_1 =  2.0E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____463_82_1 =  2.0E+05                                  ! [atm] type: V, ref: 3088
Hvpx_____463_82_1 =  1.2E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____463_82_1 =  1.2E+05                                  ! [atm] type: V, ref: 635
Hvpx_____463_82_1 =  1.2E+05                                  ! [atm] type: V, ref: 642
Hvpx_____463_82_1 =  1.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____463_82_1 =  7.3E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____463_82_1 =  1.2E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____463_82_1 =  2.6E+05                                  ! [atm] type: Q, ref: 3409
Hvpx_____463_82_1 =  2.2E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____463_82_1 =  2.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____463_82_1 =  7.0E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____463_82_1 =  2.2E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____463_82_1 =  7.0E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____463_82_1 =  6.6E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____463_82_1 =  2.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____463_82_1 =  1.0E+05                                  ! [atm] type: Q, ref: 2530
Hvpx_____463_82_1 =  1.5E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____463_82_1 =  1.2E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____463_82_1 =  1.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____463_82_1 =  6.8E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____463_82_1 =  3.9E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____463_82_1 =  7.4E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____463_82_1 =  8.7E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____463_82_1 =  1.2E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____463_82_1 =  1.2E+05                                  ! [atm] type: ?, ref: 789
Hvpx_____463_82_1 =  9.4E+04                                  ! [atm] type: ?, ref: 1500
Hvpx_____463_82_1 =  9.3E+04                                  ! [atm] type: ?, ref: 2226

! species:  hexane
! formula:  C_6H_{14}
! trivial:  
! casrn:    110-54-3
! inchikey: VLKZOEOYAKHREP-UHFFFAOYSA-N
Hvpx_____110_54_3 =  9.5E+04 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____110_54_3 =  8.0E+04 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____110_54_3 =  9.0E+04 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx_____110_54_3 =  9.3E+04                                  ! [atm] type: L, ref: 479
Hvpx_____110_54_3 =  8.9E+04                                  ! [atm] type: M, ref: 2935
Hvpx_____110_54_3 =  7.4E+04                                  ! [atm] type: M, ref: 2905
Hvpx_____110_54_3 =  2.3E+03 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: M, ref: 857
Hvpx_____110_54_3 =  8.2E+04                                  ! [atm] type: M, ref: 2924
Hvpx_____110_54_3 =  5.5E+04 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____110_54_3 =  8.1E+04 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2911
Hvpx_____110_54_3 =  9.3E+04 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2909
Hvpx_____110_54_3 =  1.0E+05                                  ! [atm] type: M, ref: 2218
Hvpx_____110_54_3 =  1.0E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____110_54_3 =  1.0E+05                                  ! [atm] type: V, ref: 3088
Hvpx_____110_54_3 =  1.0E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____110_54_3 =  1.0E+05                                  ! [atm] type: V, ref: 635
Hvpx_____110_54_3 =  1.0E+05                                  ! [atm] type: V, ref: 2439
Hvpx_____110_54_3 =  7.7E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____110_54_3 =  9.0E+04                                  ! [atm] type: V, ref: 1910
Hvpx_____110_54_3 =  1.0E+05                                  ! [atm] type: V, ref: 642
Hvpx_____110_54_3 =  9.3E+04                                  ! [atm] type: V, ref: 3924
Hvpx_____110_54_3 =  9.3E+04                                  ! [atm] type: V, ref: 3923
Hvpx_____110_54_3 =  8.2E+04 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: T, ref: 3674
Hvpx_____110_54_3 =  7.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_54_3 =  7.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_54_3 =  5.3E+04                                  ! [atm] type: Q, ref: 3682
Hvpx_____110_54_3 =  9.7E+04                                  ! [atm] type: Q, ref: 3728
Hvpx_____110_54_3 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_54_3 =  1.1E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_54_3 =  7.9E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_54_3 =  3.4E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_54_3 =  2.4E+04                                  ! [atm] type: Q, ref: 3689
Hvpx_____110_54_3 =  1.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_54_3 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_54_3 =  5.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_54_3 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_54_3 =  1.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_54_3 =  7.1E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_54_3 =  1.0E+05                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_54_3 =  1.9E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____110_54_3 =  9.4E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_54_3 =  9.1E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____110_54_3 =  8.7E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_54_3 =  3.8E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_54_3 =  4.0E+04                                  ! [atm] type: Q, ref: 731
Hvpx_____110_54_3 =  6.9E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____110_54_3 =  6.9E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____110_54_3 =  7.2E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____110_54_3 =  1.6E+05                                  ! [atm] type: ?, ref: 3614
Hvpx_____110_54_3 =  7.2E+04                                  ! [atm] type: ?, ref: 789
Hvpx_____110_54_3 =  9.0E+04                                  ! [atm] type: ?, ref: 1500

! species:  2-methylpentane
! formula:  C_6H_{14}
! trivial:  isohexane
! casrn:    107-83-5
! inchikey: AFABGHUZZDYHJO-UHFFFAOYSA-N
Hvpx_____107_83_5 =  8.6E+04 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____107_83_5 =  9.6E+04 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____107_83_5 =  9.3E+04                                  ! [atm] type: L, ref: 479
Hvpx_____107_83_5 =  4.3E+04 * EXP(   -960.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____107_83_5 =  9.5E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____107_83_5 =  9.4E+04                                  ! [atm] type: V, ref: 3088
Hvpx_____107_83_5 =  9.6E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____107_83_5 =  9.6E+04                                  ! [atm] type: V, ref: 635
Hvpx_____107_83_5 =  9.6E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____107_83_5 =  9.6E+04                                  ! [atm] type: V, ref: 642
Hvpx_____107_83_5 =  9.1E+04                                  ! [atm] type: V, ref: 3924
Hvpx_____107_83_5 =  9.1E+04                                  ! [atm] type: V, ref: 3923
Hvpx_____107_83_5 =  9.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____107_83_5 =  8.7E+04                                  ! [atm] type: C, ref: 2521
Hvpx_____107_83_5 =  3.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_83_5 =  9.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_83_5 =  1.2E+05                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_83_5 =  2.9E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_83_5 =  1.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____107_83_5 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_83_5 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_83_5 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_83_5 =  1.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____107_83_5 =  1.1E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_83_5 =  9.3E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_83_5 =  1.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____107_83_5 =  9.4E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____107_83_5 =  6.8E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____107_83_5 =  8.9E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____107_83_5 =  3.9E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____107_83_5 =  7.8E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____107_83_5 =  8.2E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____107_83_5 =  9.6E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____107_83_5 =  1.5E+05                                  ! [atm] type: ?, ref: 3614
Hvpx_____107_83_5 =  9.7E+04                                  ! [atm] type: ?, ref: 789

! species:  3-methylpentane
! formula:  C_6H_{14}
! trivial:  
! casrn:    96-14-0
! inchikey: PFEOZHBOMNWTJB-UHFFFAOYSA-N
Hvpx______96_14_0 =  9.2E+04                                  ! [atm] type: L, ref: 3518
Hvpx______96_14_0 =  9.2E+04                                  ! [atm] type: L, ref: 3673
Hvpx______96_14_0 =  9.4E+04                                  ! [atm] type: L, ref: 479
Hvpx______96_14_0 =  9.3E+04                                  ! [atm] type: V, ref: 3586
Hvpx______96_14_0 =  9.4E+04                                  ! [atm] type: V, ref: 3088
Hvpx______96_14_0 =  9.3E+04                                  ! [atm] type: V, ref: 2611
Hvpx______96_14_0 =  9.3E+04                                  ! [atm] type: V, ref: 635
Hvpx______96_14_0 =  9.3E+04                                  ! [atm] type: V, ref: 2478
Hvpx______96_14_0 =  9.4E+04                                  ! [atm] type: V, ref: 642
Hvpx______96_14_0 =  9.1E+04                                  ! [atm] type: V, ref: 3924
Hvpx______96_14_0 =  6.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______96_14_0 =  3.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx______96_14_0 =  9.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______96_14_0 =  9.5E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______96_14_0 =  2.9E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______96_14_0 =  1.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx______96_14_0 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______96_14_0 =  7.0E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______96_14_0 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______96_14_0 =  1.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx______96_14_0 =  8.7E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______96_14_0 =  7.8E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______96_14_0 =  1.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx______96_14_0 =  9.4E+04                                  ! [atm] type: Q, ref: 2535
Hvpx______96_14_0 =  8.1E+04                                  ! [atm] type: Q, ref: 3731
Hvpx______96_14_0 =  8.9E+04                                  ! [atm] type: Q, ref: 2543
Hvpx______96_14_0 =  4.0E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______96_14_0 =  7.6E+04                                  ! [atm] type: Q, ref: 1162
Hvpx______96_14_0 =  7.8E+04                                  ! [atm] type: Q, ref: 2482
Hvpx______96_14_0 =  6.6E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______96_14_0 =  1.5E+05                                  ! [atm] type: ?, ref: 3614
Hvpx______96_14_0 =  6.2E+04                                  ! [atm] type: ?, ref: 789

! species:  2,2-dimethylbutane
! formula:  C_6H_{14}
! trivial:  
! casrn:    75-83-2
! inchikey: HNRMPXKDFBEGFZ-UHFFFAOYSA-N
Hvpx______75_83_2 =  9.7E+04                                  ! [atm] type: L, ref: 3518
Hvpx______75_83_2 =  9.8E+04 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______75_83_2 =  9.4E+04                                  ! [atm] type: L, ref: 479
Hvpx______75_83_2 =  8.4E+04                                  ! [atm] type: V, ref: 3586
Hvpx______75_83_2 =  9.4E+04                                  ! [atm] type: V, ref: 3088
Hvpx______75_83_2 =  1.1E+05                                  ! [atm] type: V, ref: 2611
Hvpx______75_83_2 =  1.1E+05                                  ! [atm] type: V, ref: 635
Hvpx______75_83_2 =  9.5E+04                                  ! [atm] type: V, ref: 2478
Hvpx______75_83_2 =  1.1E+05                                  ! [atm] type: V, ref: 642
Hvpx______75_83_2 =  9.9E+04                                  ! [atm] type: V, ref: 3924
Hvpx______75_83_2 =  9.9E+04                                  ! [atm] type: V, ref: 3923
Hvpx______75_83_2 =  8.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_83_2 =  7.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx______75_83_2 =  1.4E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______75_83_2 =  1.9E+05                                  ! [atm] type: Q, ref: 3409
Hvpx______75_83_2 =  2.2E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______75_83_2 =  2.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx______75_83_2 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______75_83_2 =  1.8E+05                                  ! [atm] type: Q, ref: 2546
Hvpx______75_83_2 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______75_83_2 =  1.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx______75_83_2 =  1.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx______75_83_2 =  7.6E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______75_83_2 =  1.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx______75_83_2 =  1.0E+05                                  ! [atm] type: Q, ref: 2535
Hvpx______75_83_2 =  1.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx______75_83_2 =  8.7E+04                                  ! [atm] type: Q, ref: 2543
Hvpx______75_83_2 =  4.1E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______75_83_2 =  9.2E+04                                  ! [atm] type: Q, ref: 1162
Hvpx______75_83_2 =  1.0E+05                                  ! [atm] type: Q, ref: 2482
Hvpx______75_83_2 =  8.4E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______75_83_2 =  1.6E+05                                  ! [atm] type: ?, ref: 3614
Hvpx______75_83_2 =  8.4E+04                                  ! [atm] type: ?, ref: 789

! species:  2,3-dimethylbutane
! formula:  C_6H_{14}
! trivial:  
! casrn:    79-29-8
! inchikey: ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
Hvpx______79_29_8 =  6.8E+04 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______79_29_8 =  7.2E+04                                  ! [atm] type: L, ref: 3673
Hvpx______79_29_8 =  7.1E+04                                  ! [atm] type: L, ref: 479
Hvpx______79_29_8 =  6.5E+04                                  ! [atm] type: V, ref: 3586
Hvpx______79_29_8 =  6.6E+04                                  ! [atm] type: V, ref: 3088
Hvpx______79_29_8 =  7.9E+04                                  ! [atm] type: V, ref: 2611
Hvpx______79_29_8 =  7.9E+04                                  ! [atm] type: V, ref: 635
Hvpx______79_29_8 =  7.7E+04                                  ! [atm] type: V, ref: 2478
Hvpx______79_29_8 =  7.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______79_29_8 =  8.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx______79_29_8 =  8.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______79_29_8 =  1.1E+05                                  ! [atm] type: Q, ref: 3409
Hvpx______79_29_8 =  2.4E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______79_29_8 =  1.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx______79_29_8 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______79_29_8 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______79_29_8 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______79_29_8 =  1.0E+05                                  ! [atm] type: Q, ref: 3579
Hvpx______79_29_8 =  1.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx______79_29_8 =  7.2E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______79_29_8 =  1.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx______79_29_8 =  7.1E+04                                  ! [atm] type: Q, ref: 2535
Hvpx______79_29_8 =  1.3E+05                                  ! [atm] type: Q, ref: 3731
Hvpx______79_29_8 =  8.9E+04                                  ! [atm] type: Q, ref: 2543
Hvpx______79_29_8 =  4.2E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______79_29_8 =  9.4E+04                                  ! [atm] type: Q, ref: 984
Hvpx______79_29_8 =  7.2E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______79_29_8 =  7.2E+04                                  ! [atm] type: ?, ref: 789

! species:  heptane
! formula:  C_7H_{16}
! trivial:  
! casrn:    142-82-5
! inchikey: IMNFDUFMRHMDMM-UHFFFAOYSA-N
Hvpx_____142_82_5 =  1.2E+05 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____142_82_5 =  1.1E+05 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____142_82_5 =  1.2E+05 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx_____142_82_5 =  1.3E+05                                  ! [atm] type: L, ref: 479
Hvpx_____142_82_5 =  1.2E+05                                  ! [atm] type: M, ref: 2935
Hvpx_____142_82_5 =  1.0E+05                                  ! [atm] type: M, ref: 2905
Hvpx_____142_82_5 =  4.6E+04 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx_____142_82_5 =  9.1E+04                                  ! [atm] type: M, ref: 2924
Hvpx_____142_82_5 =  1.3E+05 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2909
Hvpx_____142_82_5 =  1.1E+05                                  ! [atm] type: M, ref: 2218
Hvpx_____142_82_5 =  1.1E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____142_82_5 =  1.0E+05                                  ! [atm] type: V, ref: 3088
Hvpx_____142_82_5 =  1.1E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____142_82_5 =  1.1E+05                                  ! [atm] type: V, ref: 635
Hvpx_____142_82_5 =  1.1E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____142_82_5 =  1.1E+05                                  ! [atm] type: V, ref: 642
Hvpx_____142_82_5 =  1.1E+05                                  ! [atm] type: V, ref: 3924
Hvpx_____142_82_5 =  1.1E+05                                  ! [atm] type: V, ref: 3923
Hvpx_____142_82_5 =  1.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____142_82_5 =  1.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____142_82_5 =  6.7E+04                                  ! [atm] type: Q, ref: 3682
Hvpx_____142_82_5 =  5.0E+04                                  ! [atm] type: Q, ref: 3728
Hvpx_____142_82_5 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____142_82_5 =  1.2E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____142_82_5 =  1.1E+05                                  ! [atm] type: Q, ref: 3409
Hvpx_____142_82_5 =  6.9E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____142_82_5 =  1.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____142_82_5 =  1.1E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_82_5 =  7.0E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_82_5 =  1.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_82_5 =  1.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____142_82_5 =  1.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____142_82_5 =  1.0E+05                                  ! [atm] type: Q, ref: 2530
Hvpx_____142_82_5 =  2.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____142_82_5 =  1.3E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____142_82_5 =  1.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____142_82_5 =  4.2E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____142_82_5 =  8.3E+04                                  ! [atm] type: Q, ref: 731
Hvpx_____142_82_5 =  9.2E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____142_82_5 =  8.7E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____142_82_5 =  1.5E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____142_82_5 =  2.0E+05                                  ! [atm] type: ?, ref: 3614
Hvpx_____142_82_5 =  1.5E+05                                  ! [atm] type: ?, ref: 789
Hvpx_____142_82_5 =  1.2E+05                                  ! [atm] type: ?, ref: 1500

! species:  2-methylhexane
! formula:  C_7H_{16}
! trivial:  isoheptane
! casrn:    591-76-4
! inchikey: GXDHCNNESPLIKD-UHFFFAOYSA-N
Hvpx_____591_76_4 =  1.9E+05                                  ! [atm] type: L, ref: 3518
Hvpx_____591_76_4 =  1.9E+05                                  ! [atm] type: L, ref: 3673
Hvpx_____591_76_4 =  1.9E+05                                  ! [atm] type: L, ref: 479
Hvpx_____591_76_4 =  2.9E+04 * EXP(   3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx_____591_76_4 =  1.9E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____591_76_4 =  1.9E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____591_76_4 =  1.9E+05                                  ! [atm] type: V, ref: 635
Hvpx_____591_76_4 =  1.9E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____591_76_4 =  1.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____591_76_4 =  3.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____591_76_4 =  1.2E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____591_76_4 =  1.7E+05                                  ! [atm] type: Q, ref: 3409
Hvpx_____591_76_4 =  3.2E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____591_76_4 =  1.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____591_76_4 =  1.1E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_76_4 =  1.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_76_4 =  1.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_76_4 =  1.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____591_76_4 =  1.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____591_76_4 =  1.0E+05                                  ! [atm] type: Q, ref: 2530
Hvpx_____591_76_4 =  2.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____591_76_4 =  1.9E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____591_76_4 =  1.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____591_76_4 =  4.3E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____591_76_4 =  1.1E+05                                  ! [atm] type: Q, ref: 984
Hvpx_____591_76_4 =  1.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____591_76_4 =  1.9E+05                                  ! [atm] type: ?, ref: 789

! species:  3-methylhexane
! formula:  C_7H_{16}
! trivial:  
! casrn:    589-34-4
! inchikey: VLJXXKKOSFGPHI-UHFFFAOYSA-N
Hvpx_____589_34_4 =  1.7E+05                                  ! [atm] type: L, ref: 3518
Hvpx_____589_34_4 =  1.2E+05                                  ! [atm] type: L, ref: 3673
Hvpx_____589_34_4 =  1.3E+05                                  ! [atm] type: L, ref: 479
Hvpx_____589_34_4 =  9.1E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____589_34_4 =  1.4E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____589_34_4 =  1.4E+05                                  ! [atm] type: V, ref: 635
Hvpx_____589_34_4 =  1.7E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____589_34_4 =  1.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____589_34_4 =  3.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____589_34_4 =  1.2E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_34_4 =  1.4E+05                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_34_4 =  3.1E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_34_4 =  1.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____589_34_4 =  1.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____589_34_4 =  1.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____589_34_4 =  9.0E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____589_34_4 =  2.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____589_34_4 =  1.3E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____589_34_4 =  1.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____589_34_4 =  1.2E+05                                  ! [atm] type: Q, ref: 2543
Hvpx_____589_34_4 =  4.2E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____589_34_4 =  1.0E+05                                  ! [atm] type: Q, ref: 984
Hvpx_____589_34_4 =  1.7E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____589_34_4 =  2.1E+05                                  ! [atm] type: ?, ref: 3614
Hvpx_____589_34_4 =  1.7E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2-dimethylpentane
! formula:  C_7H_{16}
! trivial:  
! casrn:    590-35-2
! inchikey: CXOWYJMDMMMMJO-UHFFFAOYSA-N
Hvpx_____590_35_2 =  1.7E+05                                  ! [atm] type: L, ref: 3673
Hvpx_____590_35_2 =  1.7E+05                                  ! [atm] type: L, ref: 479
Hvpx_____590_35_2 =  1.7E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____590_35_2 =  1.7E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____590_35_2 =  1.7E+05                                  ! [atm] type: V, ref: 635
Hvpx_____590_35_2 =  1.7E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____590_35_2 =  1.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____590_35_2 =  7.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____590_35_2 =  2.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____590_35_2 =  1.1E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____590_35_2 =  2.2E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____590_35_2 =  1.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____590_35_2 =  1.8E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____590_35_2 =  2.1E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____590_35_2 =  1.1E+05                                  ! [atm] type: Q, ref: 2530
Hvpx_____590_35_2 =  1.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____590_35_2 =  1.7E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____590_35_2 =  1.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____590_35_2 =  1.5E+05                                  ! [atm] type: Q, ref: 2543
Hvpx_____590_35_2 =  4.4E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____590_35_2 =  1.3E+05                                  ! [atm] type: Q, ref: 984
Hvpx_____590_35_2 =  1.7E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____590_35_2 =  1.8E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3-dimethylpentane
! formula:  C_7H_{16}
! trivial:  
! casrn:    565-59-3
! inchikey: WGECXQBGLLYSFP-UHFFFAOYSA-N
Hvpx_____565_59_3 =  9.5E+04                                  ! [atm] type: L, ref: 3673
Hvpx_____565_59_3 =  9.6E+04                                  ! [atm] type: L, ref: 479
Hvpx_____565_59_3 =  9.6E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____565_59_3 =  9.6E+04                                  ! [atm] type: V, ref: 635
Hvpx_____565_59_3 =  9.6E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____565_59_3 =  9.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____565_59_3 =  8.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____565_59_3 =  1.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____565_59_3 =  1.1E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_59_3 =  1.1E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_59_3 =  1.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_59_3 =  1.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____565_59_3 =  1.1E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____565_59_3 =  7.7E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____565_59_3 =  9.4E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____565_59_3 =  1.2E+05                                  ! [atm] type: Q, ref: 2543
Hvpx_____565_59_3 =  4.4E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____565_59_3 =  1.2E+05                                  ! [atm] type: Q, ref: 984
Hvpx_____565_59_3 =  9.6E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____565_59_3 =  9.6E+04                                  ! [atm] type: ?, ref: 789

! species:  2,4-dimethylpentane
! formula:  C_7H_{16}
! trivial:  
! casrn:    108-08-7
! inchikey: BZHMBWZPUJHVEE-UHFFFAOYSA-N
Hvpx_____108_08_7 =  1.9E+05                                  ! [atm] type: L, ref: 3518
Hvpx_____108_08_7 =  1.6E+05                                  ! [atm] type: L, ref: 3673
Hvpx_____108_08_7 =  1.6E+05                                  ! [atm] type: L, ref: 479
Hvpx_____108_08_7 =  1.1E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____108_08_7 =  1.8E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____108_08_7 =  1.8E+05                                  ! [atm] type: V, ref: 635
Hvpx_____108_08_7 =  1.6E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____108_08_7 =  1.7E+05                                  ! [atm] type: V, ref: 642
Hvpx_____108_08_7 =  1.7E+05                                  ! [atm] type: V, ref: 3924
Hvpx_____108_08_7 =  1.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_08_7 =  8.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_08_7 =  2.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_08_7 =  1.1E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_08_7 =  2.2E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_08_7 =  1.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_08_7 =  1.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_08_7 =  2.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_08_7 =  1.0E+05                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_08_7 =  1.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____108_08_7 =  1.0E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_08_7 =  1.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_08_7 =  1.2E+05                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_08_7 =  4.5E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_08_7 =  1.2E+05                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_08_7 =  1.2E+05                                  ! [atm] type: Q, ref: 2482
Hvpx_____108_08_7 =  1.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_08_7 =  1.6E+05                                  ! [atm] type: ?, ref: 789

! species:  3,3-dimethylpentane
! formula:  C_7H_{16}
! trivial:  
! casrn:    562-49-2
! inchikey: AEXMKKGTQYQZCS-UHFFFAOYSA-N
Hvpx_____562_49_2 =  9.7E+04 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____562_49_2 =  1.0E+05                                  ! [atm] type: L, ref: 3673
Hvpx_____562_49_2 =  1.0E+05                                  ! [atm] type: L, ref: 479
Hvpx_____562_49_2 =  1.0E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____562_49_2 =  1.0E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____562_49_2 =  1.0E+05                                  ! [atm] type: V, ref: 635
Hvpx_____562_49_2 =  1.0E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____562_49_2 =  1.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____562_49_2 =  7.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____562_49_2 =  1.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____562_49_2 =  1.8E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____562_49_2 =  1.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____562_49_2 =  7.3E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____562_49_2 =  1.6E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____562_49_2 =  1.0E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____562_49_2 =  1.9E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____562_49_2 =  1.5E+05                                  ! [atm] type: Q, ref: 2543
Hvpx_____562_49_2 =  4.4E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____562_49_2 =  1.2E+05                                  ! [atm] type: Q, ref: 984
Hvpx_____562_49_2 =  1.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____562_49_2 =  1.0E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethylpentane
! formula:  C_7H_{16}
! trivial:  
! casrn:    617-78-7
! inchikey: AORMDLNPRGXHHL-UHFFFAOYSA-N
Hvpx_____617_78_7 =  1.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____617_78_7 =  1.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____617_78_7 =  1.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____617_78_7 =  1.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____617_78_7 =  2.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____617_78_7 =  1.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____617_78_7 =  1.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____617_78_7 =  1.4E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,3-trimethylbutane
! formula:  C_7H_{16}
! trivial:  
! casrn:    464-06-2
! inchikey: ZISSAWUMDACLOM-UHFFFAOYSA-N
Hvpx_____464_06_2 =  1.7E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____464_06_2 =  1.7E+05                                  ! [atm] type: V, ref: 635
Hvpx_____464_06_2 =  1.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____464_06_2 =  1.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____464_06_2 =  1.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____464_06_2 =  1.7E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____464_06_2 =  7.6E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____464_06_2 =  1.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____464_06_2 =  1.7E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____464_06_2 =  3.0E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____464_06_2 =  1.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____464_06_2 =  1.3E+05                                  ! [atm] type: ?, ref: 789

! species:  octane
! formula:  C_8H_{18}
! trivial:  
! casrn:    111-65-9
! inchikey: TVMXDCGIABBOFY-UHFFFAOYSA-N
Hvpx_____111_65_9 =  1.6E+05 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____111_65_9 =  1.4E+05 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____111_65_9 =  1.7E+05 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1498
Hvpx_____111_65_9 =  1.6E+05                                  ! [atm] type: L, ref: 479
Hvpx_____111_65_9 =  1.6E+05                                  ! [atm] type: M, ref: 2935
Hvpx_____111_65_9 =  1.6E+05                                  ! [atm] type: M, ref: 2905
Hvpx_____111_65_9 =  1.8E+04 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx_____111_65_9 =  1.8E+05 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2912
Hvpx_____111_65_9 =  1.9E+05 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2909
Hvpx_____111_65_9 =  1.8E+05                                  ! [atm] type: M, ref: 2218
Hvpx_____111_65_9 =  1.8E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____111_65_9 =  1.8E+05                                  ! [atm] type: V, ref: 3088
Hvpx_____111_65_9 =  6.3E+05                                  ! [atm] type: V, ref: 2580
Hvpx_____111_65_9 =  1.7E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____111_65_9 =  1.5E+05 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2554
Hvpx_____111_65_9 =  1.7E+05                                  ! [atm] type: V, ref: 635
Hvpx_____111_65_9 =  1.8E+05                                  ! [atm] type: V, ref: 2439
Hvpx_____111_65_9 =  1.8E+05                                  ! [atm] type: V, ref: 1145
Hvpx_____111_65_9 =  1.7E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____111_65_9 =  1.8E+05                                  ! [atm] type: V, ref: 642
Hvpx_____111_65_9 =  1.8E+05                                  ! [atm] type: V, ref: 2471
Hvpx_____111_65_9 =  1.4E+05                                  ! [atm] type: V, ref: 3924
Hvpx_____111_65_9 =  1.4E+05                                  ! [atm] type: V, ref: 3923
Hvpx_____111_65_9 =  2.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_65_9 =  2.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_65_9 =  8.0E+04                                  ! [atm] type: Q, ref: 3682
Hvpx_____111_65_9 =  2.0E+04                                  ! [atm] type: Q, ref: 3728
Hvpx_____111_65_9 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_65_9 =  1.5E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_65_9 =  1.6E+05                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_65_9 =  1.3E+05                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_65_9 =  1.8E+05                                  ! [atm] type: Q, ref: 3689
Hvpx_____111_65_9 =  1.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____111_65_9 =  1.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_65_9 =  1.1E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_65_9 =  1.8E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_65_9 =  2.3E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____111_65_9 =  1.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_65_9 =  1.2E+05                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_65_9 =  1.9E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_65_9 =  1.5E+05                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_65_9 =  4.5E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_65_9 =  2.1E+05                                  ! [atm] type: Q, ref: 731
Hvpx_____111_65_9 =  1.2E+05                                  ! [atm] type: Q, ref: 1162
Hvpx_____111_65_9 =  1.7E+05                                  ! [atm] type: Q, ref: 1145
Hvpx_____111_65_9 =  1.1E+05                                  ! [atm] type: Q, ref: 2482
Hvpx_____111_65_9 =  2.7E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_65_9 =  2.8E+05                                  ! [atm] type: ?, ref: 3614
Hvpx_____111_65_9 =  2.7E+05                                  ! [atm] type: ?, ref: 789
Hvpx_____111_65_9 =  1.7E+05                                  ! [atm] type: ?, ref: 1500

! species:  2-methylheptane
! formula:  C_8H_{18}
! trivial:  
! casrn:    592-27-8
! inchikey: JVSWJIKNEAIKJW-UHFFFAOYSA-N
Hvpx_____592_27_8 =  1.9E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____592_27_8 =  1.9E+05                                  ! [atm] type: V, ref: 635
Hvpx_____592_27_8 =  2.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____592_27_8 =  1.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____592_27_8 =  2.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____592_27_8 =  2.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____592_27_8 =  2.7E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____592_27_8 =  1.7E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____592_27_8 =  2.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____592_27_8 =  2.0E+05                                  ! [atm] type: ?, ref: 637
Hvpx_____592_27_8 =  2.0E+05                                  ! [atm] type: ?, ref: 789

! species:  3-methylheptane
! formula:  C_8H_{18}
! trivial:  
! casrn:    589-81-1
! inchikey: LAIUFBWHERIJIH-UHFFFAOYSA-N
Hvpx_____589_81_1 =  2.1E+05                                  ! [atm] type: L, ref: 3518
Hvpx_____589_81_1 =  2.0E+05                                  ! [atm] type: L, ref: 3673
Hvpx_____589_81_1 =  2.1E+05                                  ! [atm] type: L, ref: 479
Hvpx_____589_81_1 =  2.1E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____589_81_1 =  2.0E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____589_81_1 =  2.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____589_81_1 =  3.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____589_81_1 =  1.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____589_81_1 =  1.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____589_81_1 =  1.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____589_81_1 =  1.8E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____589_81_1 =  2.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____589_81_1 =  1.7E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____589_81_1 =  9.9E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____589_81_1 =  2.7E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____589_81_1 =  1.9E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____589_81_1 =  1.8E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____589_81_1 =  1.5E+05                                  ! [atm] type: Q, ref: 2543
Hvpx_____589_81_1 =  1.3E+05                                  ! [atm] type: Q, ref: 984
Hvpx_____589_81_1 =  2.1E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____589_81_1 =  2.1E+05                                  ! [atm] type: ?, ref: 789

! species:  4-methylheptane
! formula:  C_8H_{18}
! trivial:  
! casrn:    589-53-7
! inchikey: CHBAWFGIXDBEBT-UHFFFAOYSA-N
Hvpx_____589_53_7 =  2.0E+05                                  ! [atm] type: L, ref: 3518
Hvpx_____589_53_7 =  2.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____589_53_7 =  1.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____589_53_7 =  2.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____589_53_7 =  1.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____589_53_7 =  2.5E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____589_53_7 =  2.0E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____589_53_7 =  2.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____589_53_7 =  2.0E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2-dimethylhexane
! formula:  C_8H_{18}
! trivial:  
! casrn:    590-73-8
! inchikey: FLTJDUOFAQWHDF-UHFFFAOYSA-N
Hvpx_____590_73_8 =  2.3E+05 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____590_73_8 =  2.2E+05 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2936
Hvpx_____590_73_8 =  2.0E+06                                  ! [atm] type: V, ref: 3586
Hvpx_____590_73_8 =  2.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____590_73_8 =  7.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____590_73_8 =  2.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____590_73_8 =  2.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____590_73_8 =  2.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____590_73_8 =  1.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____590_73_8 =  3.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____590_73_8 =  2.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____590_73_8 =  1.9E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3-dimethylhexane
! formula:  C_8H_{18}
! trivial:  
! casrn:    584-94-1
! inchikey: JXPOLSKBTUYKJB-UHFFFAOYSA-N
Hvpx_____584_94_1 =  2.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____584_94_1 =  1.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____584_94_1 =  2.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____584_94_1 =  1.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____584_94_1 =  2.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____584_94_1 =  2.1E+05                                  ! [atm] type: ?, ref: 789

! species:  2,4-dimethylhexane
! formula:  C_8H_{18}
! trivial:  
! casrn:    589-43-5
! inchikey: HDGQICNBXPAKLR-UHFFFAOYSA-N
Hvpx_____589_43_5 =  2.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____589_43_5 =  2.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____589_43_5 =  2.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____589_43_5 =  2.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____589_43_5 =  2.1E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____589_43_5 =  2.0E+05                                  ! [atm] type: ?, ref: 789

! species:  2,5-dimethylhexane
! formula:  C_8H_{18}
! trivial:  
! casrn:    592-13-2
! inchikey: UWNADWZGEHDQAB-UHFFFAOYSA-N
Hvpx_____592_13_2 =  1.8E+05 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____592_13_2 =  2.2E+05 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2936
Hvpx_____592_13_2 =  2.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____592_13_2 =  2.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____592_13_2 =  2.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____592_13_2 =  3.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____592_13_2 =  2.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____592_13_2 =  2.3E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____592_13_2 =  2.1E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____592_13_2 =  1.9E+05                                  ! [atm] type: ?, ref: 789

! species:  3,3-dimethylhexane
! formula:  C_8H_{18}
! trivial:  
! casrn:    563-16-6
! inchikey: KUMXLFIBWFCMOJ-UHFFFAOYSA-N
Hvpx_____563_16_6 =  2.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____563_16_6 =  2.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____563_16_6 =  2.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____563_16_6 =  1.9E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____563_16_6 =  2.9E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____563_16_6 =  3.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____563_16_6 =  2.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____563_16_6 =  2.1E+05                                  ! [atm] type: ?, ref: 789

! species:  3,4-dimethylhexane
! formula:  C_8H_{18}
! trivial:  
! casrn:    583-48-2
! inchikey: RNTWWGNZUXGTAX-UHFFFAOYSA-N
Hvpx_____583_48_2 =  2.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____583_48_2 =  2.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____583_48_2 =  1.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____583_48_2 =  2.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____583_48_2 =  2.2E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethylhexane
! formula:  C_8H_{18}
! trivial:  
! casrn:    619-99-8
! inchikey: SFRKSDZMZHIISH-UHFFFAOYSA-N
Hvpx_____619_99_8 =  2.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____619_99_8 =  2.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____619_99_8 =  1.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____619_99_8 =  2.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____619_99_8 =  2.1E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,3-trimethylpentane
! formula:  C_8H_{18}
! trivial:  
! casrn:    564-02-3
! inchikey: XTDQDBVBDLYELW-UHFFFAOYSA-N
Hvpx_____564_02_3 =  2.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____564_02_3 =  2.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____564_02_3 =  2.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____564_02_3 =  2.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____564_02_3 =  7.5E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____564_02_3 =  2.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____564_02_3 =  3.3E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____564_02_3 =  2.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____564_02_3 =  2.1E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,4-trimethylpentane
! formula:  C_8H_{18}
! trivial:  isooctane
! casrn:    540-84-1
! inchikey: NHTMVDHEPJAVLT-UHFFFAOYSA-N
Hvpx_____540_84_1 =  1.8E+05                                  ! [atm] type: L, ref: 3673
Hvpx_____540_84_1 =  1.8E+05                                  ! [atm] type: L, ref: 479
Hvpx_____540_84_1 =  1.2E+05                                  ! [atm] type: M, ref: 2924
Hvpx_____540_84_1 =  1.7E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____540_84_1 =  1.7E+05                                  ! [atm] type: V, ref: 635
Hvpx_____540_84_1 =  1.8E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____540_84_1 =  1.7E+05                                  ! [atm] type: V, ref: 642
Hvpx_____540_84_1 =  1.7E+05                                  ! [atm] type: V, ref: 2471
Hvpx_____540_84_1 =  1.5E+05                                  ! [atm] type: V, ref: 3924
Hvpx_____540_84_1 =  1.5E+05                                  ! [atm] type: V, ref: 3923
Hvpx_____540_84_1 =  1.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____540_84_1 =  3.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____540_84_1 =  1.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____540_84_1 =  4.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____540_84_1 =  1.8E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____540_84_1 =  1.7E+05                                  ! [atm] type: Q, ref: 2995
Hvpx_____540_84_1 =  3.2E+05                                  ! [atm] type: Q, ref: 2995
Hvpx_____540_84_1 =  2.5E+04                                  ! [atm] type: Q, ref: 2995
Hvpx_____540_84_1 =  3.3E+04                                  ! [atm] type: Q, ref: 2995
Hvpx_____540_84_1 =  2.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____540_84_1 =  4.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____540_84_1 =  1.1E+05                                  ! [atm] type: Q, ref: 2530
Hvpx_____540_84_1 =  1.6E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____540_84_1 =  8.7E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____540_84_1 =  2.7E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____540_84_1 =  1.5E+05                                  ! [atm] type: Q, ref: 2543
Hvpx_____540_84_1 =  1.7E+05                                  ! [atm] type: Q, ref: 1162
Hvpx_____540_84_1 =  1.9E+05                                  ! [atm] type: Q, ref: 2482
Hvpx_____540_84_1 =  1.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____540_84_1 =  1.9E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,3-trimethylpentane
! formula:  C_8H_{18}
! trivial:  
! casrn:    560-21-4
! inchikey: OKVWYBALHQFVFP-UHFFFAOYSA-N
Hvpx_____560_21_4 =  2.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____560_21_4 =  1.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____560_21_4 =  2.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____560_21_4 =  1.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____560_21_4 =  2.7E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____560_21_4 =  3.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____560_21_4 =  2.5E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____560_21_4 =  2.3E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,4-trimethylpentane
! formula:  C_8H_{18}
! trivial:  
! casrn:    565-75-3
! inchikey: RLPGDEORIPLBNF-UHFFFAOYSA-N
Hvpx_____565_75_3 =  1.7E+05                                  ! [atm] type: L, ref: 3518
Hvpx_____565_75_3 =  1.3E+05                                  ! [atm] type: L, ref: 3673
Hvpx_____565_75_3 =  1.0E+05                                  ! [atm] type: L, ref: 479
Hvpx_____565_75_3 =  1.1E+05                                  ! [atm] type: V, ref: 635
Hvpx_____565_75_3 =  9.8E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____565_75_3 =  9.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____565_75_3 =  1.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____565_75_3 =  1.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_75_3 =  1.8E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_75_3 =  1.8E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_75_3 =  2.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____565_75_3 =  1.7E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____565_75_3 =  7.8E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____565_75_3 =  2.7E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____565_75_3 =  1.0E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____565_75_3 =  2.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____565_75_3 =  1.5E+05                                  ! [atm] type: Q, ref: 2543
Hvpx_____565_75_3 =  4.9E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____565_75_3 =  1.7E+05                                  ! [atm] type: Q, ref: 984
Hvpx_____565_75_3 =  9.8E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____565_75_3 =  9.8E+04                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-2-methylpentane
! formula:  C_8H_{18}
! trivial:  
! casrn:    609-26-7
! inchikey: DUPUVYJQZSLSJB-UHFFFAOYSA-N
Hvpx_____609_26_7 =  2.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____609_26_7 =  1.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____609_26_7 =  2.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____609_26_7 =  1.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____609_26_7 =  2.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____609_26_7 =  2.2E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____609_26_7 =  2.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____609_26_7 =  2.1E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-3-methylpentane
! formula:  C_8H_{18}
! trivial:  
! casrn:    1067-08-9
! inchikey: GIEZWIDCIFCQPS-UHFFFAOYSA-N
Hvpx____1067_08_9 =  2.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1067_08_9 =  1.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1067_08_9 =  2.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1067_08_9 =  1.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____1067_08_9 =  2.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____1067_08_9 =  2.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1067_08_9 =  2.7E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1067_08_9 =  2.3E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,3,3-tetramethylbutane
! formula:  C_8H_{18}
! trivial:  
! casrn:    594-82-1
! inchikey: OMMLUKLXGSRPHK-UHFFFAOYSA-N
Hvpx_____594_82_1 =  1.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____594_82_1 =  2.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____594_82_1 =  2.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____594_82_1 =  1.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____594_82_1 =  2.1E+05                                  ! [atm] type: ?, ref: 789

! species:  nonane
! formula:  C_9H_{20}
! trivial:  
! casrn:    111-84-2
! inchikey: BKIMMITUMNQMOS-UHFFFAOYSA-N
Hvpx_____111_84_2 =  2.3E+05 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____111_84_2 =  2.6E+05                                  ! [atm] type: L, ref: 3673
Hvpx_____111_84_2 =  2.7E+05                                  ! [atm] type: L, ref: 479
Hvpx_____111_84_2 =  2.5E+05                                  ! [atm] type: M, ref: 2935
Hvpx_____111_84_2 =  2.9E+05                                  ! [atm] type: M, ref: 2905
Hvpx_____111_84_2 =  2.3E+04 * EXP(   -190.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____111_84_2 =  3.0E+05 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2909
Hvpx_____111_84_2 =  1.9E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____111_84_2 =  1.9E+05                                  ! [atm] type: V, ref: 3088
Hvpx_____111_84_2 =  1.8E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____111_84_2 =  1.8E+05                                  ! [atm] type: V, ref: 635
Hvpx_____111_84_2 =  3.3E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____111_84_2 =  2.7E+05                                  ! [atm] type: V, ref: 1497
Hvpx_____111_84_2 =  3.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_84_2 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_84_2 =  1.9E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_84_2 =  2.2E+05                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_84_2 =  2.3E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_84_2 =  1.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____111_84_2 =  2.2E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_84_2 =  1.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_84_2 =  2.2E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_84_2 =  3.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____111_84_2 =  1.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_84_2 =  1.3E+05                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_84_2 =  3.6E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____111_84_2 =  2.7E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_84_2 =  1.2E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____111_84_2 =  4.9E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_84_2 =  1.5E+05                                  ! [atm] type: Q, ref: 984
Hvpx_____111_84_2 =  3.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_84_2 =  3.3E+05                                  ! [atm] type: ?, ref: 789

! species:  2-methyloctane
! formula:  C_9H_{20}
! trivial:  
! casrn:    3221-61-2
! inchikey: ZUBZATZOEPUUQF-UHFFFAOYSA-N
Hvpx____3221_61_2 =  3.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3221_61_2 =  2.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____3221_61_2 =  3.4E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____3221_61_2 =  2.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____3221_61_2 =  2.6E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____3221_61_2 =  1.7E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____3221_61_2 =  3.5E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____3221_61_2 =  2.7E+05                                  ! [atm] type: ?, ref: 789

! species:  3-methyloctane
! formula:  C_9H_{20}
! trivial:  
! casrn:    2216-33-3
! inchikey: SEEOMASXHIJCDV-UHFFFAOYSA-N
Hvpx____2216_33_3 =  3.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2216_33_3 =  2.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2216_33_3 =  3.4E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____2216_33_3 =  2.3E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____2216_33_3 =  3.5E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____2216_33_3 =  2.0E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____2216_33_3 =  3.7E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____2216_33_3 =  2.8E+05                                  ! [atm] type: ?, ref: 789

! species:  4-methyloctane
! formula:  C_9H_{20}
! trivial:  
! casrn:    2216-34-4
! inchikey: DOGIHOCMZJUJNR-UHFFFAOYSA-N
Hvpx____2216_34_4 =  5.6E+05                                  ! [atm] type: L, ref: 3673
Hvpx____2216_34_4 =  5.5E+05                                  ! [atm] type: L, ref: 479
Hvpx____2216_34_4 =  5.5E+05                                  ! [atm] type: V, ref: 3586
Hvpx____2216_34_4 =  5.5E+05                                  ! [atm] type: V, ref: 2478
Hvpx____2216_34_4 =  5.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2216_34_4 =  3.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx____2216_34_4 =  2.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2216_34_4 =  2.2E+05                                  ! [atm] type: Q, ref: 2546
Hvpx____2216_34_4 =  1.8E+05                                  ! [atm] type: Q, ref: 2546
Hvpx____2216_34_4 =  2.2E+05                                  ! [atm] type: Q, ref: 2546
Hvpx____2216_34_4 =  3.4E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____2216_34_4 =  2.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____2216_34_4 =  1.1E+05                                  ! [atm] type: Q, ref: 2530
Hvpx____2216_34_4 =  3.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____2216_34_4 =  1.9E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____2216_34_4 =  5.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____2216_34_4 =  5.5E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3-dimethylheptane
! formula:  C_9H_{20}
! trivial:  
! casrn:    3074-71-3
! inchikey: WBRFDUJXCLCKPX-UHFFFAOYSA-N
Hvpx____3074_71_3 =  3.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3074_71_3 =  2.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____3074_71_3 =  3.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____3074_71_3 =  2.3E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____3074_71_3 =  2.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____3074_71_3 =  2.8E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____3074_71_3 =  3.8E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____3074_71_3 =  2.9E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2-dimethylheptane
! formula:  C_9H_{20}
! trivial:  
! casrn:    1071-26-7
! inchikey: PSABUFWDVWCFDP-UHFFFAOYSA-N
Hvpx____1071_26_7 =  3.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1071_26_7 =  3.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1071_26_7 =  3.8E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1071_26_7 =  4.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____1071_26_7 =  3.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____1071_26_7 =  2.8E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1071_26_7 =  3.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1071_26_7 =  2.7E+05                                  ! [atm] type: ?, ref: 789

! species:  2,4-dimethylheptane
! formula:  C_9H_{20}
! trivial:  
! casrn:    2213-23-2
! inchikey: AUKVIBNBLXQNIZ-UHFFFAOYSA-N
Hvpx____2213_23_2 =  3.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2213_23_2 =  3.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2213_23_2 =  3.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____2213_23_2 =  3.9E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____2213_23_2 =  3.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____2213_23_2 =  3.0E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____2213_23_2 =  3.2E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____2213_23_2 =  2.6E+05                                  ! [atm] type: ?, ref: 789

! species:  2,5-dimethylheptane
! formula:  C_9H_{20}
! trivial:  
! casrn:    2216-30-0
! inchikey: HQZHQNKZOYIKQC-UHFFFAOYSA-N
Hvpx____2216_30_0 =  3.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2216_30_0 =  2.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2216_30_0 =  3.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____2216_30_0 =  3.7E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____2216_30_0 =  2.7E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____2216_30_0 =  3.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____2216_30_0 =  2.7E+05                                  ! [atm] type: ?, ref: 789

! species:  2,6-dimethylheptane
! formula:  C_9H_{20}
! trivial:  
! casrn:    1072-05-5
! inchikey: KBPCCVWUMVGXGF-UHFFFAOYSA-N
Hvpx____1072_05_5 =  3.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1072_05_5 =  2.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1072_05_5 =  3.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1072_05_5 =  4.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____1072_05_5 =  3.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____1072_05_5 =  2.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1072_05_5 =  3.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1072_05_5 =  2.6E+05                                  ! [atm] type: ?, ref: 789

! species:  3,3-dimethylheptane
! formula:  C_9H_{20}
! trivial:  
! casrn:    4032-86-4
! inchikey: BVAKDOXCVSMKHE-UHFFFAOYSA-N
Hvpx____4032_86_4 =  2.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____4032_86_4 =  2.9E+05                                  ! [atm] type: ?, ref: 789

! species:  3,4-dimethylheptane
! formula:  C_9H_{20}
! trivial:  
! casrn:    922-28-1
! inchikey: MAKRYGRRIKSDES-UHFFFAOYSA-N
Hvpx_____922_28_1 =  3.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____922_28_1 =  2.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____922_28_1 =  3.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____922_28_1 =  2.1E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____922_28_1 =  3.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____922_28_1 =  3.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____922_28_1 =  3.8E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____922_28_1 =  3.0E+05                                  ! [atm] type: ?, ref: 789

! species:  3,5-dimethylheptane
! formula:  C_9H_{20}
! trivial:  
! casrn:    926-82-9
! inchikey: DZJTZGHZAWTWGA-UHFFFAOYSA-N
Hvpx_____926_82_9 =  3.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____926_82_9 =  2.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____926_82_9 =  3.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____926_82_9 =  3.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____926_82_9 =  3.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____926_82_9 =  3.3E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____926_82_9 =  3.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____926_82_9 =  2.7E+05                                  ! [atm] type: ?, ref: 789

! species:  4,4-dimethylheptane
! formula:  C_9H_{20}
! trivial:  
! casrn:    1068-19-5
! inchikey: WSOKFYJGNBQDPW-UHFFFAOYSA-N
Hvpx____1068_19_5 =  3.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1068_19_5 =  2.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1068_19_5 =  3.8E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1068_19_5 =  2.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____1068_19_5 =  3.6E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____1068_19_5 =  3.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1068_19_5 =  3.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1068_19_5 =  2.9E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethylheptane
! formula:  C_9H_{20}
! trivial:  
! casrn:    15869-80-4
! inchikey: PSVQKOKKLWHNRP-UHFFFAOYSA-N
Hvpx___15869_80_4 =  3.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15869_80_4 =  2.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___15869_80_4 =  3.4E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___15869_80_4 =  2.1E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___15869_80_4 =  3.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___15869_80_4 =  2.2E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___15869_80_4 =  3.8E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___15869_80_4 =  2.9E+05                                  ! [atm] type: ?, ref: 789

! species:  4-ethylheptane
! formula:  C_9H_{20}
! trivial:  
! casrn:    2216-32-2
! inchikey: XMROPFQWHHUFFS-UHFFFAOYSA-N
Hvpx____2216_32_2 =  3.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2216_32_2 =  2.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2216_32_2 =  3.4E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____2216_32_2 =  2.1E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____2216_32_2 =  3.6E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____2216_32_2 =  2.0E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____2216_32_2 =  3.7E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____2216_32_2 =  2.9E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,3-trimethylhexane
! formula:  C_9H_{20}
! trivial:  
! casrn:    16747-25-4
! inchikey: CBVFSZDQEHBJEQ-UHFFFAOYSA-N
Hvpx___16747_25_4 =  3.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16747_25_4 =  2.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___16747_25_4 =  3.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___16747_25_4 =  2.9E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___16747_25_4 =  3.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___16747_25_4 =  6.0E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___16747_25_4 =  3.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___16747_25_4 =  2.9E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,4-trimethylhexane
! formula:  C_9H_{20}
! trivial:  
! casrn:    16747-26-5
! inchikey: AFTPEBDOGXRMNQ-UHFFFAOYSA-N
Hvpx___16747_26_5 =  3.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16747_26_5 =  3.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___16747_26_5 =  3.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___16747_26_5 =  5.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___16747_26_5 =  3.5E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___16747_26_5 =  5.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___16747_26_5 =  3.2E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___16747_26_5 =  2.7E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,5-trimethylhexane
! formula:  C_9H_{20}
! trivial:  
! casrn:    3522-94-9
! inchikey: HHOSMYBYIHNXNO-UHFFFAOYSA-N
Hvpx____3522_94_9 =  2.9E+05 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx____3522_94_9 =  2.0E+05                                  ! [atm] type: L, ref: 3673
Hvpx____3522_94_9 =  1.9E+05                                  ! [atm] type: L, ref: 479
Hvpx____3522_94_9 =  1.3E+05                                  ! [atm] type: V, ref: 2611
Hvpx____3522_94_9 =  1.3E+05                                  ! [atm] type: V, ref: 635
Hvpx____3522_94_9 =  1.3E+05                                  ! [atm] type: V, ref: 1910
Hvpx____3522_94_9 =  1.4E+05                                  ! [atm] type: V, ref: 3924
Hvpx____3522_94_9 =  3.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3522_94_9 =  3.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____3522_94_9 =  3.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____3522_94_9 =  6.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____3522_94_9 =  3.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____3522_94_9 =  1.9E+05                                  ! [atm] type: Q, ref: 2535
Hvpx____3522_94_9 =  3.7E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____3522_94_9 =  2.5E+05                                  ! [atm] type: Q, ref: 984
Hvpx____3522_94_9 =  3.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____3522_94_9 =  2.9E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,3-trimethylhexane
! formula:  C_9H_{20}
! trivial:  
! casrn:    16747-28-7
! inchikey: DJYSEQMMCZAKGT-UHFFFAOYSA-N
Hvpx___16747_28_7 =  4.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16747_28_7 =  2.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___16747_28_7 =  3.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___16747_28_7 =  2.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___16747_28_7 =  2.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___16747_28_7 =  5.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___16747_28_7 =  4.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___16747_28_7 =  3.2E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,4-trimethylhexane
! formula:  C_9H_{20}
! trivial:  
! casrn:    921-47-1
! inchikey: RUTNOQHQISEBGT-UHFFFAOYSA-N
Hvpx_____921_47_1 =  4.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____921_47_1 =  2.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____921_47_1 =  3.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____921_47_1 =  2.1E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____921_47_1 =  3.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____921_47_1 =  4.8E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____921_47_1 =  4.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____921_47_1 =  3.1E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,5-trimethylhexane
! formula:  C_9H_{20}
! trivial:  
! casrn:    1069-53-0
! inchikey: ODGLTLJZCVNPBU-UHFFFAOYSA-N
Hvpx____1069_53_0 =  3.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1069_53_0 =  3.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1069_53_0 =  3.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1069_53_0 =  4.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____1069_53_0 =  2.6E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____1069_53_0 =  5.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1069_53_0 =  2.0E+05                                  ! [atm] type: Q, ref: 2543
Hvpx____1069_53_0 =  3.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1069_53_0 =  2.7E+05                                  ! [atm] type: ?, ref: 789

! species:  2,4,4-trimethylhexane
! formula:  C_9H_{20}
! trivial:  
! casrn:    16747-30-1
! inchikey: SVEMKBCPZYWEPH-UHFFFAOYSA-N
Hvpx___16747_30_1 =  3.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16747_30_1 =  3.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___16747_30_1 =  3.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___16747_30_1 =  3.9E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___16747_30_1 =  3.7E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___16747_30_1 =  5.2E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___16747_30_1 =  3.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___16747_30_1 =  3.0E+05                                  ! [atm] type: ?, ref: 789

! species:  3,3,4-trimethylhexane
! formula:  C_9H_{20}
! trivial:  
! casrn:    16747-31-2
! inchikey: ARWOOWBJJKVYOV-UHFFFAOYSA-N
Hvpx___16747_31_2 =  4.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16747_31_2 =  2.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___16747_31_2 =  3.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___16747_31_2 =  1.9E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___16747_31_2 =  3.5E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___16747_31_2 =  4.9E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___16747_31_2 =  4.2E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___16747_31_2 =  3.3E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-2-methylhexane
! formula:  C_9H_{20}
! trivial:  
! casrn:    16789-46-1
! inchikey: MVLOWDRGPHBNNF-UHFFFAOYSA-N
Hvpx___16789_46_1 =  3.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16789_46_1 =  2.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___16789_46_1 =  3.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___16789_46_1 =  2.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___16789_46_1 =  2.5E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___16789_46_1 =  4.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___16789_46_1 =  3.7E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___16789_46_1 =  2.9E+05                                  ! [atm] type: ?, ref: 789

! species:  4-ethyl-2-methylhexane
! formula:  C_9H_{20}
! trivial:  
! casrn:    3074-75-7
! inchikey: KYCZJIBOPKRSOV-UHFFFAOYSA-N
Hvpx____3074_75_7 =  3.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3074_75_7 =  2.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____3074_75_7 =  3.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____3074_75_7 =  3.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____3074_75_7 =  3.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____3074_75_7 =  3.8E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____3074_75_7 =  3.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____3074_75_7 =  2.7E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-3-methylhexane
! formula:  C_9H_{20}
! trivial:  
! casrn:    3074-76-8
! inchikey: CYWROHZCELEGSE-UHFFFAOYSA-N
Hvpx____3074_76_8 =  4.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3074_76_8 =  2.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____3074_76_8 =  3.8E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____3074_76_8 =  1.7E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____3074_76_8 =  3.7E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____3074_76_8 =  4.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____3074_76_8 =  4.1E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____3074_76_8 =  3.2E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-4-methylhexane
! formula:  C_9H_{20}
! trivial:  
! casrn:    3074-77-9
! inchikey: OKCRKWVABWILDR-UHFFFAOYSA-N
Hvpx____3074_77_9 =  3.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3074_77_9 =  2.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____3074_77_9 =  3.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____3074_77_9 =  1.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____3074_77_9 =  2.9E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____3074_77_9 =  4.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____3074_77_9 =  3.8E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____3074_77_9 =  3.0E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,3,3-tetramethylpentane
! formula:  C_9H_{20}
! trivial:  
! casrn:    7154-79-2
! inchikey: QUKOJKFJIHSBKV-UHFFFAOYSA-N
Hvpx____7154_79_2 =  4.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7154_79_2 =  1.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____7154_79_2 =  4.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____7154_79_2 =  1.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____7154_79_2 =  2.6E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____7154_79_2 =  5.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____7154_79_2 =  4.5E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____7154_79_2 =  3.5E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,3,4-tetramethylpentane
! formula:  C_9H_{20}
! trivial:  
! casrn:    1186-53-4
! inchikey: VZFMYOCAEQDWDY-UHFFFAOYSA-N
Hvpx____1186_53_4 =  3.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1186_53_4 =  2.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1186_53_4 =  3.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1186_53_4 =  2.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____1186_53_4 =  3.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____1186_53_4 =  1.9E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1186_53_4 =  3.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1186_53_4 =  3.2E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,4,4-tetramethylpentane
! formula:  C_9H_{20}
! trivial:  
! casrn:    1070-87-7
! inchikey: GUMULFRCHLJNDY-UHFFFAOYSA-N
Hvpx____1070_87_7 =  3.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1070_87_7 =  4.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1070_87_7 =  4.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1070_87_7 =  6.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____1070_87_7 =  3.5E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____1070_87_7 =  3.9E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1070_87_7 =  3.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1070_87_7 =  2.8E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,3,4-tetramethylpentane
! formula:  C_9H_{20}
! trivial:  
! casrn:    16747-38-9
! inchikey: JLCYYQOQSAMWTA-UHFFFAOYSA-N
Hvpx___16747_38_9 =  4.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16747_38_9 =  1.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___16747_38_9 =  3.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___16747_38_9 =  2.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___16747_38_9 =  3.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___16747_38_9 =  4.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___16747_38_9 =  4.5E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___16747_38_9 =  3.5E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-2,2-dimethylpentane
! formula:  C_9H_{20}
! trivial:  
! casrn:    16747-32-3
! inchikey: CLZCPQKGOAXOJT-UHFFFAOYSA-N
Hvpx___16747_32_3 =  3.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16747_32_3 =  2.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___16747_32_3 =  3.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___16747_32_3 =  2.9E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___16747_32_3 =  3.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___16747_32_3 =  3.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___16747_32_3 =  3.7E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___16747_32_3 =  3.0E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-2,3-dimethylpentane
! formula:  C_9H_{20}
! trivial:  
! casrn:    16747-33-4
! inchikey: MMASVVOQIKCFJZ-UHFFFAOYSA-N
Hvpx___16747_33_4 =  4.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16747_33_4 =  1.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___16747_33_4 =  3.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___16747_33_4 =  1.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___16747_33_4 =  3.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___16747_33_4 =  3.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___16747_33_4 =  4.7E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___16747_33_4 =  3.6E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-2,4-dimethylpentane
! formula:  C_9H_{20}
! trivial:  
! casrn:    1068-87-7
! inchikey: VLHAGZNBWKUMRW-UHFFFAOYSA-N
Hvpx____1068_87_7 =  3.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1068_87_7 =  2.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1068_87_7 =  3.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1068_87_7 =  2.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____1068_87_7 =  2.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____1068_87_7 =  3.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1068_87_7 =  3.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1068_87_7 =  3.0E+05                                  ! [atm] type: ?, ref: 789

! species:  3,3-diethylpentane
! formula:  C_9H_{20}
! trivial:  
! casrn:    1067-20-5
! inchikey: BGXXXYLRPIRDHJ-UHFFFAOYSA-N
Hvpx____1067_20_5 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1067_20_5 =  1.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1067_20_5 =  3.8E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1067_20_5 =  1.3E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____1067_20_5 =  2.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____1067_20_5 =  3.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1067_20_5 =  4.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1067_20_5 =  3.6E+05                                  ! [atm] type: ?, ref: 789
Hvpx____1067_20_5 =  5.8E+04                                  ! [atm] type: ?, ref: 1500
Hvpx____1067_20_5 =  5.8E+04                                  ! [atm] type: ?, ref: 2226

! species:  decane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    124-18-5
! inchikey: DIOQZVSQGTUSAI-UHFFFAOYSA-N
Hvpx_____124_18_5 =  4.1E+05                                  ! [atm] type: L, ref: 3518
Hvpx_____124_18_5 =  5.2E+05                                  ! [atm] type: L, ref: 3673
Hvpx_____124_18_5 =  3.8E+05                                  ! [atm] type: L, ref: 479
Hvpx_____124_18_5 =  2.9E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____124_18_5 =  2.9E+05                                  ! [atm] type: V, ref: 3088
Hvpx_____124_18_5 =  2.6E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____124_18_5 =  2.6E+05                                  ! [atm] type: V, ref: 635
Hvpx_____124_18_5 =  2.7E+05                                  ! [atm] type: V, ref: 2439
Hvpx_____124_18_5 =  2.4E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____124_18_5 =  2.8E+05                                  ! [atm] type: V, ref: 1497
Hvpx_____124_18_5 =  2.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____124_18_5 =  2.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____124_18_5 =  1.2E+05                                  ! [atm] type: Q, ref: 3682
Hvpx_____124_18_5 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____124_18_5 =  2.3E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____124_18_5 =  3.1E+05                                  ! [atm] type: Q, ref: 3409
Hvpx_____124_18_5 =  8.4E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____124_18_5 =  1.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____124_18_5 =  2.8E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_18_5 =  1.8E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_18_5 =  2.8E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_18_5 =  3.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____124_18_5 =  2.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____124_18_5 =  1.4E+05                                  ! [atm] type: Q, ref: 2530
Hvpx_____124_18_5 =  2.7E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____124_18_5 =  2.5E+05                                  ! [atm] type: Q, ref: 2543
Hvpx_____124_18_5 =  5.3E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____124_18_5 =  1.9E+05                                  ! [atm] type: Q, ref: 984
Hvpx_____124_18_5 =  2.8E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____124_18_5 =  2.6E+05                                  ! [atm] type: ?, ref: 789

! species:  2-methylnonane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    871-83-0
! inchikey: SGVYKUFIHHTIFL-UHFFFAOYSA-N
Hvpx_____871_83_0 =  4.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____871_83_0 =  2.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____871_83_0 =  4.2E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____871_83_0 =  3.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____871_83_0 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____871_83_0 =  1.8E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____871_83_0 =  4.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____871_83_0 =  3.1E+05                                  ! [atm] type: ?, ref: 789

! species:  3-methylnonane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    5911-04-6
! inchikey: PLZDDPSCZHRBOY-UHFFFAOYSA-N
Hvpx____5911_04_6 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5911_04_6 =  2.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____5911_04_6 =  4.2E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____5911_04_6 =  3.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____5911_04_6 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____5911_04_6 =  1.9E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____5911_04_6 =  5.1E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____5911_04_6 =  3.3E+05                                  ! [atm] type: ?, ref: 789

! species:  4-methylnonane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    17301-94-9
! inchikey: IALRSQMWHFKJJA-UHFFFAOYSA-N
Hvpx___17301_94_9 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17301_94_9 =  2.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17301_94_9 =  4.2E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___17301_94_9 =  3.3E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___17301_94_9 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___17301_94_9 =  2.0E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___17301_94_9 =  5.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___17301_94_9 =  3.3E+05                                  ! [atm] type: ?, ref: 789

! species:  5-methylnonane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    15869-85-9
! inchikey: TYSIILFJZXHVPU-UHFFFAOYSA-N
Hvpx___15869_85_9 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15869_85_9 =  2.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___15869_85_9 =  4.2E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___15869_85_9 =  3.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___15869_85_9 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___15869_85_9 =  1.3E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___15869_85_9 =  4.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___15869_85_9 =  3.3E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2-dimethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    15869-87-1
! inchikey: GPBUTTSWJNPYJL-UHFFFAOYSA-N
Hvpx___15869_87_1 =  5.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15869_87_1 =  3.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___15869_87_1 =  4.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___15869_87_1 =  4.3E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___15869_87_1 =  5.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___15869_87_1 =  3.3E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3-dimethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    7146-60-3
! inchikey: YPMNDMUOGQJCLW-UHFFFAOYSA-N
Hvpx____7146_60_3 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7146_60_3 =  2.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____7146_60_3 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____7146_60_3 =  3.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____7146_60_3 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____7146_60_3 =  3.3E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____7146_60_3 =  5.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____7146_60_3 =  3.6E+05                                  ! [atm] type: ?, ref: 789

! species:  2,4-dimethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    4032-94-4
! inchikey: IXAVTTRPEXFVSX-UHFFFAOYSA-N
Hvpx____4032_94_4 =  4.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4032_94_4 =  3.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____4032_94_4 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____4032_94_4 =  4.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____4032_94_4 =  4.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____4032_94_4 =  3.2E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____4032_94_4 =  4.5E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____4032_94_4 =  3.2E+05                                  ! [atm] type: ?, ref: 789

! species:  2,5-dimethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    15869-89-3
! inchikey: HOAAQUNESXYFDT-UHFFFAOYSA-N
Hvpx___15869_89_3 =  4.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15869_89_3 =  3.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___15869_89_3 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___15869_89_3 =  4.3E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___15869_89_3 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___15869_89_3 =  2.7E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___15869_89_3 =  4.8E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___15869_89_3 =  3.3E+05                                  ! [atm] type: ?, ref: 789

! species:  2,6-dimethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    2051-30-1
! inchikey: ZALHPSXXQIPKTQ-UHFFFAOYSA-N
Hvpx____2051_30_1 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2051_30_1 =  3.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2051_30_1 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____2051_30_1 =  4.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____2051_30_1 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____2051_30_1 =  3.0E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____2051_30_1 =  5.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____2051_30_1 =  3.4E+05                                  ! [atm] type: ?, ref: 789

! species:  2,7-dimethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    1072-16-8
! inchikey: KEVMYFLMMDUPJE-UHFFFAOYSA-N
Hvpx____1072_16_8 =  4.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1072_16_8 =  3.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1072_16_8 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1072_16_8 =  5.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____1072_16_8 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____1072_16_8 =  2.8E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1072_16_8 =  4.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1072_16_8 =  3.2E+05                                  ! [atm] type: ?, ref: 789

! species:  3,3-dimethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    4110-44-5
! inchikey: DBULLUBYDONGLT-UHFFFAOYSA-N
Hvpx____4110_44_5 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4110_44_5 =  3.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____4110_44_5 =  4.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____4110_44_5 =  3.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____4110_44_5 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____4110_44_5 =  3.8E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____4110_44_5 =  5.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____4110_44_5 =  3.7E+05                                  ! [atm] type: ?, ref: 789

! species:  3,4-dimethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    15869-92-8
! inchikey: QQCWGAMGBCGAQJ-UHFFFAOYSA-N
Hvpx___15869_92_8 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15869_92_8 =  2.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___15869_92_8 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___15869_92_8 =  2.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___15869_92_8 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___15869_92_8 =  3.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___15869_92_8 =  5.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___15869_92_8 =  3.6E+05                                  ! [atm] type: ?, ref: 789

! species:  3,5-dimethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    15869-93-9
! inchikey: VRHRGVJOUHJULC-UHFFFAOYSA-N
Hvpx___15869_93_9 =  5.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15869_93_9 =  3.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___15869_93_9 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___15869_93_9 =  4.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___15869_93_9 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___15869_93_9 =  3.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___15869_93_9 =  5.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___15869_93_9 =  3.5E+05                                  ! [atm] type: ?, ref: 789

! species:  3,6-dimethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    15869-94-0
! inchikey: JEEQUUSFXYRPRK-UHFFFAOYSA-N
Hvpx___15869_94_0 =  5.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15869_94_0 =  3.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___15869_94_0 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___15869_94_0 =  4.1E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___15869_94_0 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___15869_94_0 =  3.3E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___15869_94_0 =  4.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___15869_94_0 =  3.4E+05                                  ! [atm] type: ?, ref: 789

! species:  4,4-dimethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    15869-95-1
! inchikey: ZMEDGZAGMLTROM-UHFFFAOYSA-N
Hvpx___15869_95_1 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15869_95_1 =  3.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___15869_95_1 =  4.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___15869_95_1 =  3.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___15869_95_1 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___15869_95_1 =  3.8E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___15869_95_1 =  5.2E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___15869_95_1 =  3.6E+05                                  ! [atm] type: ?, ref: 789

! species:  4,5-dimethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    15869-96-2
! inchikey: DOYJTLUPPPUSMD-UHFFFAOYSA-N
Hvpx___15869_96_2 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15869_96_2 =  2.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___15869_96_2 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___15869_96_2 =  2.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___15869_96_2 =  4.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___15869_96_2 =  3.8E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___15869_96_2 =  5.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___15869_96_2 =  3.7E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    5881-17-4
! inchikey: OEYGTUAKNZFCDJ-UHFFFAOYSA-N
Hvpx____5881_17_4 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5881_17_4 =  2.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____5881_17_4 =  4.2E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____5881_17_4 =  2.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____5881_17_4 =  3.4E+05                                  ! [atm] type: ?, ref: 789

! species:  4-ethyloctane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    15869-86-0
! inchikey: NRJUFUBKIFIKFI-UHFFFAOYSA-N
Hvpx___15869_86_0 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15869_86_0 =  2.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___15869_86_0 =  4.2E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___15869_86_0 =  2.3E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___15869_86_0 =  4.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___15869_86_0 =  1.9E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___15869_86_0 =  5.1E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___15869_86_0 =  3.5E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,3-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52896-92-1
! inchikey: ACYHSTUWOQNWCX-UHFFFAOYSA-N
Hvpx___52896_92_1 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52896_92_1 =  3.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52896_92_1 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52896_92_1 =  3.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52896_92_1 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52896_92_1 =  5.8E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52896_92_1 =  5.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52896_92_1 =  3.8E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,4-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    14720-74-2
! inchikey: IIYGOARYARWJBO-UHFFFAOYSA-N
Hvpx___14720_74_2 =  4.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14720_74_2 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___14720_74_2 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___14720_74_2 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___14720_74_2 =  5.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___14720_74_2 =  4.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___14720_74_2 =  3.4E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,5-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    20291-95-6
! inchikey: GZJFAWOTMWATOS-UHFFFAOYSA-N
Hvpx___20291_95_6 =  4.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20291_95_6 =  4.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___20291_95_6 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___20291_95_6 =  3.7E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___20291_95_6 =  5.0E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___20291_95_6 =  4.7E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___20291_95_6 =  3.4E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,6-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    1190-83-6
! inchikey: FHJCGIUZJXWNET-UHFFFAOYSA-N
Hvpx____1190_83_6 =  4.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1190_83_6 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1190_83_6 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1190_83_6 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____1190_83_6 =  4.2E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1190_83_6 =  4.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1190_83_6 =  3.2E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,3-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52896-93-2
! inchikey: QACXEXNKLFWKLK-UHFFFAOYSA-N
Hvpx___52896_93_2 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52896_93_2 =  2.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52896_93_2 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52896_93_2 =  3.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52896_93_2 =  4.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52896_93_2 =  5.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52896_93_2 =  5.7E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52896_93_2 =  4.0E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,4-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52896-95-4
! inchikey: UVVYAKOLFKEZEE-UHFFFAOYSA-N
Hvpx___52896_95_4 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52896_95_4 =  3.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52896_95_4 =  4.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52896_95_4 =  3.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52896_95_4 =  3.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52896_95_4 =  6.0E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52896_95_4 =  5.5E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52896_95_4 =  3.8E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,5-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    20278-85-7
! inchikey: YKPNYFKOKKKGNM-UHFFFAOYSA-N
Hvpx___20278_85_7 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20278_85_7 =  3.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___20278_85_7 =  4.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___20278_85_7 =  4.9E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___20278_85_7 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___20278_85_7 =  5.2E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___20278_85_7 =  5.7E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___20278_85_7 =  4.0E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,6-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    4032-93-3
! inchikey: IHPXJGBVRWFEJB-UHFFFAOYSA-N
Hvpx____4032_93_3 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4032_93_3 =  3.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____4032_93_3 =  4.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____4032_93_3 =  5.1E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____4032_93_3 =  3.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____4032_93_3 =  4.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____4032_93_3 =  4.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____4032_93_3 =  3.4E+05                                  ! [atm] type: ?, ref: 789

! species:  2,4,4-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    4032-92-2
! inchikey: QALGVLROELGEEM-UHFFFAOYSA-N
Hvpx____4032_92_2 =  5.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4032_92_2 =  4.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____4032_92_2 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____4032_92_2 =  4.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____4032_92_2 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____4032_92_2 =  6.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____4032_92_2 =  5.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____4032_92_2 =  3.6E+05                                  ! [atm] type: ?, ref: 789

! species:  2,4,5-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    20278-84-6
! inchikey: YMBNRMDSLJNNPF-UHFFFAOYSA-N
Hvpx___20278_84_6 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20278_84_6 =  3.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___20278_84_6 =  4.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___20278_84_6 =  4.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___20278_84_6 =  4.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___20278_84_6 =  6.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___20278_84_6 =  5.2E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___20278_84_6 =  3.6E+05                                  ! [atm] type: ?, ref: 789

! species:  2,4,6-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    2613-61-8
! inchikey: YNLBBDHDNIXQNL-UHFFFAOYSA-N
Hvpx____2613_61_8 =  4.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2613_61_8 =  4.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2613_61_8 =  4.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____2613_61_8 =  7.3E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____2613_61_8 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____2613_61_8 =  5.2E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____2613_61_8 =  4.1E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____2613_61_8 =  3.0E+05                                  ! [atm] type: ?, ref: 789

! species:  2,5,5-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    1189-99-7
! inchikey: SOYLPZSOEXZMLE-UHFFFAOYSA-N
Hvpx____1189_99_7 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1189_99_7 =  3.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1189_99_7 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1189_99_7 =  5.1E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____1189_99_7 =  4.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____1189_99_7 =  4.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1189_99_7 =  4.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1189_99_7 =  3.5E+05                                  ! [atm] type: ?, ref: 789

! species:  3,3,4-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    20278-87-9
! inchikey: WRBHKVWLEIYLDZ-UHFFFAOYSA-N
Hvpx___20278_87_9 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20278_87_9 =  2.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___20278_87_9 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___20278_87_9 =  2.9E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___20278_87_9 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___20278_87_9 =  7.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___20278_87_9 =  6.1E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___20278_87_9 =  4.1E+05                                  ! [atm] type: ?, ref: 789

! species:  3,3,5-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    7154-80-5
! inchikey: VRVRZZWPKABUOE-UHFFFAOYSA-N
Hvpx____7154_80_5 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7154_80_5 =  3.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____7154_80_5 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____7154_80_5 =  4.7E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____7154_80_5 =  4.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____7154_80_5 =  6.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____7154_80_5 =  5.5E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____7154_80_5 =  3.9E+05                                  ! [atm] type: ?, ref: 789

! species:  3,4,4-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    20278-88-0
! inchikey: BLNBSBLKPFFJKQ-UHFFFAOYSA-N
Hvpx___20278_88_0 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20278_88_0 =  2.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___20278_88_0 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___20278_88_0 =  2.9E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___20278_88_0 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___20278_88_0 =  7.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___20278_88_0 =  6.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___20278_88_0 =  4.2E+05                                  ! [atm] type: ?, ref: 789

! species:  3,4,5-trimethylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    20278-89-1
! inchikey: LJIIBBYARMPSMT-UHFFFAOYSA-N
Hvpx___20278_89_1 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20278_89_1 =  2.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___20278_89_1 =  4.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___20278_89_1 =  2.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___20278_89_1 =  3.9E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___20278_89_1 =  6.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___20278_89_1 =  5.8E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___20278_89_1 =  4.0E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-2-methylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    14676-29-0
! inchikey: NKMJCVVUYDKHAV-UHFFFAOYSA-N
Hvpx___14676_29_0 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14676_29_0 =  3.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___14676_29_0 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___14676_29_0 =  2.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___14676_29_0 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___14676_29_0 =  4.0E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___14676_29_0 =  5.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___14676_29_0 =  3.6E+05                                  ! [atm] type: ?, ref: 789

! species:  4-ethyl-2-methylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52896-88-5
! inchikey: OJDKRASKNKPYDH-UHFFFAOYSA-N
Hvpx___52896_88_5 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52896_88_5 =  3.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52896_88_5 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52896_88_5 =  3.9E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52896_88_5 =  4.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52896_88_5 =  3.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52896_88_5 =  4.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52896_88_5 =  3.5E+05                                  ! [atm] type: ?, ref: 789

! species:  5-ethyl-2-methylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    13475-78-0
! inchikey: DGEMPTLPTFNEHJ-UHFFFAOYSA-N
Hvpx___13475_78_0 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13475_78_0 =  3.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___13475_78_0 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___13475_78_0 =  4.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___13475_78_0 =  3.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___13475_78_0 =  3.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___13475_78_0 =  5.1E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___13475_78_0 =  3.5E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-3-methylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    17302-01-1
! inchikey: HSOMNBKXPGCNBH-UHFFFAOYSA-N
Hvpx___17302_01_1 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_01_1 =  2.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_01_1 =  4.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___17302_01_1 =  2.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___17302_01_1 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___17302_01_1 =  4.3E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___17302_01_1 =  6.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___17302_01_1 =  4.0E+05                                  ! [atm] type: ?, ref: 789

! species:  4-ethyl-3-methylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52896-89-6
! inchikey: BTGGSWBKRYMHQK-UHFFFAOYSA-N
Hvpx___52896_89_6 =  5.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52896_89_6 =  2.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52896_89_6 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52896_89_6 =  2.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52896_89_6 =  3.9E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52896_89_6 =  4.7E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52896_89_6 =  5.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52896_89_6 =  3.8E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-5-methylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52896-90-9
! inchikey: VXARVYMIZCGZGG-UHFFFAOYSA-N
Hvpx___52896_90_9 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52896_90_9 =  3.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52896_90_9 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52896_90_9 =  4.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52896_90_9 =  4.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52896_90_9 =  3.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52896_90_9 =  4.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52896_90_9 =  3.4E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-4-methylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52896-91-0
! inchikey: JZBKRUIGSVOOIC-UHFFFAOYSA-N
Hvpx___52896_91_0 =  5.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52896_91_0 =  2.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52896_91_0 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52896_91_0 =  2.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52896_91_0 =  4.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52896_91_0 =  5.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52896_91_0 =  5.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52896_91_0 =  3.8E+05                                  ! [atm] type: ?, ref: 789

! species:  4-ethyl-4-methylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    17302-04-4
! inchikey: MPYQJQDSICRCJJ-UHFFFAOYSA-N
Hvpx___17302_04_4 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_04_4 =  2.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_04_4 =  4.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___17302_04_4 =  2.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___17302_04_4 =  4.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___17302_04_4 =  5.2E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___17302_04_4 =  5.7E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___17302_04_4 =  3.9E+05                                  ! [atm] type: ?, ref: 789

! species:  4-propylheptane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    3178-29-8
! inchikey: ABYGSZMCWVXFCQ-UHFFFAOYSA-N
Hvpx____3178_29_8 =  4.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3178_29_8 =  3.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____3178_29_8 =  4.2E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____3178_29_8 =  3.3E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____3178_29_8 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____3178_29_8 =  2.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____3178_29_8 =  4.5E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____3178_29_8 =  3.2E+05                                  ! [atm] type: ?, ref: 789

! species:  4-(1-methylethyl)-heptane
! formula:  C_{10}H_{22}
! trivial:  4-isopropylheptane
! casrn:    52896-87-4
! inchikey: AZLAWGCUDHUQDB-UHFFFAOYSA-N
Hvpx___52896_87_4 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52896_87_4 =  3.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52896_87_4 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52896_87_4 =  2.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52896_87_4 =  3.9E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52896_87_4 =  2.7E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52896_87_4 =  5.2E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52896_87_4 =  3.6E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,3,3-tetramethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    13475-81-5
! inchikey: RMQHJMMCLSJULX-UHFFFAOYSA-N
Hvpx___13475_81_5 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13475_81_5 =  2.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___13475_81_5 =  5.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___13475_81_5 =  3.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___13475_81_5 =  3.6E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___13475_81_5 =  1.1E+06                                  ! [atm] type: Q, ref: 3731
Hvpx___13475_81_5 =  6.5E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___13475_81_5 =  4.5E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,3,4-tetramethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-08-2
! inchikey: MHPSPNGWFAGBNH-UHFFFAOYSA-N
Hvpx___52897_08_2 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_08_2 =  3.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_08_2 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_08_2 =  4.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_08_2 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_08_2 =  9.3E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_08_2 =  6.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_08_2 =  4.4E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,3,5-tetramethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-09-3
! inchikey: GCFKTDRTZYDRBI-UHFFFAOYSA-N
Hvpx___52897_09_3 =  4.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_09_3 =  4.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_09_3 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_09_3 =  6.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_09_3 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_09_3 =  8.3E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_09_3 =  4.8E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_09_3 =  3.5E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,4,4-tetramethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    51750-65-3
! inchikey: PXHNHTBJHHSVPT-UHFFFAOYSA-N
Hvpx___51750_65_3 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___51750_65_3 =  3.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___51750_65_3 =  5.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___51750_65_3 =  6.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___51750_65_3 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___51750_65_3 =  8.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___51750_65_3 =  6.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___51750_65_3 =  4.8E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,4,5-tetramethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    16747-42-5
! inchikey: KDRZICOOQNIJDN-UHFFFAOYSA-N
Hvpx___16747_42_5 =  5.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16747_42_5 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___16747_42_5 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___16747_42_5 =  6.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___16747_42_5 =  4.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___16747_42_5 =  7.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___16747_42_5 =  4.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___16747_42_5 =  3.7E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,5,5-tetramethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    1071-81-4
! inchikey: HXQDUXXBVMMIKL-UHFFFAOYSA-N
Hvpx____1071_81_4 =  3.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1071_81_4 =  6.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1071_81_4 =  5.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1071_81_4 =  1.2E+06                                  ! [atm] type: Q, ref: 2521
Hvpx____1071_81_4 =  3.7E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____1071_81_4 =  4.8E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1071_81_4 =  3.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1071_81_4 =  3.1E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,3,4-tetramethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-10-6
! inchikey: HIHSOGFAVTVMCY-UHFFFAOYSA-N
Hvpx___52897_10_6 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_10_6 =  2.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_10_6 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_10_6 =  3.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_10_6 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_10_6 =  9.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_10_6 =  6.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_10_6 =  4.6E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,3,5-tetramethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-11-7
! inchikey: GCGFXFIPOBRMQT-UHFFFAOYSA-N
Hvpx___52897_11_7 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_11_7 =  3.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_11_7 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_11_7 =  5.9E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_11_7 =  4.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_11_7 =  9.2E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_11_7 =  5.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_11_7 =  3.9E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,4,4-tetramethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-12-8
! inchikey: XDRDDPSGUQMOBO-UHFFFAOYSA-N
Hvpx___52897_12_8 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_12_8 =  2.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_12_8 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_12_8 =  4.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_12_8 =  3.7E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_12_8 =  8.7E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_12_8 =  6.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_12_8 =  4.5E+05                                  ! [atm] type: ?, ref: 789

! species:  2,3,4,5-tetramethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-15-1
! inchikey: BHGNYYIOYPFWKC-UHFFFAOYSA-N
Hvpx___52897_15_1 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_15_1 =  3.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_15_1 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_15_1 =  4.7E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_15_1 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_15_1 =  8.3E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_15_1 =  5.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_15_1 =  3.8E+05                                  ! [atm] type: ?, ref: 789

! species:  3,3,4,4-tetramethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    5171-84-6
! inchikey: MCEYLFHKATVXLN-UHFFFAOYSA-N
Hvpx____5171_84_6 =  8.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5171_84_6 =  1.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____5171_84_6 =  5.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____5171_84_6 =  2.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____5171_84_6 =  3.6E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____5171_84_6 =  8.9E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____5171_84_6 =  8.2E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____5171_84_6 =  5.4E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-2,2-dimethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    20291-91-2
! inchikey: XYDYODCWVCBIOQ-UHFFFAOYSA-N
Hvpx___20291_91_2 =  5.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20291_91_2 =  3.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___20291_91_2 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___20291_91_2 =  3.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___20291_91_2 =  3.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___20291_91_2 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___20291_91_2 =  7.7E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___20291_91_2 =  5.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___20291_91_2 =  3.9E+05                                  ! [atm] type: ?, ref: 789

! species:  4-ethyl-2,2-dimethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52896-99-8
! inchikey: QHLDBFLIDFTHQI-UHFFFAOYSA-N
Hvpx___52896_99_8 =  4.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52896_99_8 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52896_99_8 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52896_99_8 =  5.1E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52896_99_8 =  4.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52896_99_8 =  5.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52896_99_8 =  4.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52896_99_8 =  3.4E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-2,3-dimethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-00-4
! inchikey: PJIFKODHGMUPFH-UHFFFAOYSA-N
Hvpx___52897_00_4 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_00_4 =  2.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_00_4 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_00_4 =  2.7E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_00_4 =  4.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_00_4 =  8.3E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_00_4 =  6.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_00_4 =  4.3E+05                                  ! [atm] type: ?, ref: 789

! species:  4-ethyl-2,3-dimethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-01-5
! inchikey: RHMRCCBCYFAZIK-UHFFFAOYSA-N
Hvpx___52897_01_5 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_01_5 =  2.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_01_5 =  4.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_01_5 =  3.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_01_5 =  3.9E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_01_5 =  7.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_01_5 =  5.8E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_01_5 =  4.0E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-2,4-dimethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    7220-26-0
! inchikey: OSKIMJMPFNLVOU-UHFFFAOYSA-N
Hvpx____7220_26_0 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7220_26_0 =  2.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____7220_26_0 =  4.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____7220_26_0 =  3.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____7220_26_0 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____7220_26_0 =  7.7E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____7220_26_0 =  5.8E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____7220_26_0 =  4.0E+05                                  ! [atm] type: ?, ref: 789

! species:  4-ethyl-2,4-dimethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-03-7
! inchikey: SIKFMUYSQCEQOO-UHFFFAOYSA-N
Hvpx___52897_03_7 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_03_7 =  2.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_03_7 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_03_7 =  4.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_03_7 =  4.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_03_7 =  7.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_03_7 =  6.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_03_7 =  4.2E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-2,5-dimethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-04-8
! inchikey: UJEUVDLASLOZIV-UHFFFAOYSA-N
Hvpx___52897_04_8 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_04_8 =  3.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_04_8 =  4.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_04_8 =  5.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_04_8 =  4.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_04_8 =  5.0E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_04_8 =  5.1E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_04_8 =  3.6E+05                                  ! [atm] type: ?, ref: 789

! species:  4-ethyl-3,3-dimethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-05-9
! inchikey: ZRTXVJYJVBTXHE-UHFFFAOYSA-N
Hvpx___52897_05_9 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_05_9 =  2.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_05_9 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_05_9 =  2.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_05_9 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_05_9 =  7.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_05_9 =  6.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_05_9 =  4.3E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-3,4-dimethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-06-0
! inchikey: ZGJCTUKRTSBTIQ-UHFFFAOYSA-N
Hvpx___52897_06_0 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_06_0 =  2.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_06_0 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_06_0 =  2.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_06_0 =  3.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_06_0 =  7.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_06_0 =  6.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_06_0 =  4.3E+05                                  ! [atm] type: ?, ref: 789

! species:  3,3-diethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    17302-02-2
! inchikey: WWNGLKDLYKNGGT-UHFFFAOYSA-N
Hvpx___17302_02_2 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_02_2 =  2.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_02_2 =  4.9E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___17302_02_2 =  1.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___17302_02_2 =  4.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___17302_02_2 =  7.1E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___17302_02_2 =  6.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___17302_02_2 =  4.3E+05                                  ! [atm] type: ?, ref: 789

! species:  3,4-diethylhexane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    19398-77-7
! inchikey: VBZCRMTUDYIWIH-UHFFFAOYSA-N
Hvpx___19398_77_7 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19398_77_7 =  2.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___19398_77_7 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___19398_77_7 =  3.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___19398_77_7 =  4.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___19398_77_7 =  6.9E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___19398_77_7 =  5.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___19398_77_7 =  4.0E+05                                  ! [atm] type: ?, ref: 789

! species:  2-methyl-3-(1-methylethyl)-hexane
! formula:  C_{10}H_{22}
! trivial:  3-isopropyl-2-methylhexane
! casrn:    62016-13-1
! inchikey: YBOXGRMAQIYMGV-UHFFFAOYSA-N
Hvpx___62016_13_1 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_13_1 =  2.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_13_1 =  4.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___62016_13_1 =  3.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___62016_13_1 =  3.9E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___62016_13_1 =  6.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___62016_13_1 =  7.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___62016_13_1 =  4.9E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,3,3,4-pentamethylpentane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    16747-44-7
! inchikey: WKQBIIUOSATALN-UHFFFAOYSA-N
Hvpx___16747_44_7 =  8.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16747_44_7 =  2.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___16747_44_7 =  5.3E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___16747_44_7 =  4.2E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___16747_44_7 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___16747_44_7 =  6.2E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___16747_44_7 =  8.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___16747_44_7 =  5.4E+05                                  ! [atm] type: ?, ref: 789

! species:  2,2,3,4,4-pentamethylpentane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    16747-45-8
! inchikey: OWFKEHICSVOVAC-UHFFFAOYSA-N
Hvpx___16747_45_8 =  7.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16747_45_8 =  2.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___16747_45_8 =  5.3E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___16747_45_8 =  6.3E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___16747_45_8 =  3.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___16747_45_8 =  5.4E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___16747_45_8 =  7.6E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___16747_45_8 =  5.3E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-2,2,3-trimethylpentane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-17-3
! inchikey: AJDIFHIHSYVDGP-UHFFFAOYSA-N
Hvpx___52897_17_3 =  8.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_17_3 =  1.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_17_3 =  5.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_17_3 =  2.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_17_3 =  3.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_17_3 =  5.9E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_17_3 =  8.2E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_17_3 =  5.4E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-2,2,4-trimethylpentane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-18-4
! inchikey: VLIZIVHXZXQRDE-UHFFFAOYSA-N
Hvpx___52897_18_4 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_18_4 =  3.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_18_4 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_18_4 =  4.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_18_4 =  3.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_18_4 =  5.0E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_18_4 =  5.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_18_4 =  4.2E+05                                  ! [atm] type: ?, ref: 789

! species:  3-ethyl-2,3,4-trimethylpentane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-19-5
! inchikey: OHZNMGSGEFVFTI-UHFFFAOYSA-N
Hvpx___52897_19_5 =  7.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_19_5 =  2.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_19_5 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_19_5 =  3.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_19_5 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_19_5 =  5.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_19_5 =  7.8E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_19_5 =  5.1E+05                                  ! [atm] type: ?, ref: 789

! species:  3,3-diethyl-2-methylpentane
! formula:  C_{10}H_{22}
! trivial:  
! casrn:    52897-16-2
! inchikey: DSSAZLXYIQIXGW-UHFFFAOYSA-N
Hvpx___52897_16_2 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52897_16_2 =  2.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52897_16_2 =  5.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___52897_16_2 =  2.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___52897_16_2 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___52897_16_2 =  4.7E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___52897_16_2 =  7.3E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___52897_16_2 =  4.8E+05                                  ! [atm] type: ?, ref: 789

! species:  2,4-dimethyl-3-(1-methylethyl)-pentane
! formula:  C_{10}H_{22}
! trivial:  2,4-dimethyl-3-isopropylpentane
! casrn:    13475-79-1
! inchikey: YVYHOOYMDHZALB-UHFFFAOYSA-N
Hvpx___13475_79_1 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13475_79_1 =  3.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___13475_79_1 =  4.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx___13475_79_1 =  5.4E+05                                  ! [atm] type: Q, ref: 2521
Hvpx___13475_79_1 =  4.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___13475_79_1 =  4.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx___13475_79_1 =  6.0E+05                                  ! [atm] type: ?, ref: 2440
Hvpx___13475_79_1 =  4.2E+05                                  ! [atm] type: ?, ref: 789

! species:  undecane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    1120-21-4
! inchikey: RSJKGSCJYJTIGS-UHFFFAOYSA-N
Hvpx____1120_21_4 =  1.2E+06                                  ! [atm] type: L, ref: 3673
Hvpx____1120_21_4 =  1.0E+06                                  ! [atm] type: L, ref: 479
Hvpx____1120_21_4 =  1.1E+05                                  ! [atm] type: V, ref: 3586
Hvpx____1120_21_4 =  1.1E+05                                  ! [atm] type: V, ref: 3088
Hvpx____1120_21_4 =  1.1E+06                                  ! [atm] type: V, ref: 2611
Hvpx____1120_21_4 =  1.0E+05                                  ! [atm] type: V, ref: 2478
Hvpx____1120_21_4 =  1.1E+06                                  ! [atm] type: V, ref: 1497
Hvpx____1120_21_4 =  1.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1120_21_4 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx____1120_21_4 =  2.6E+04                                  ! [atm] type: Q, ref: 3409
Hvpx____1120_21_4 =  4.4E+05                                  ! [atm] type: Q, ref: 3409
Hvpx____1120_21_4 =  5.1E+04                                  ! [atm] type: Q, ref: 3409
Hvpx____1120_21_4 =  1.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1120_21_4 =  3.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx____1120_21_4 =  3.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx____1120_21_4 =  1.5E+05                                  ! [atm] type: Q, ref: 2530
Hvpx____1120_21_4 =  1.0E+06                                  ! [atm] type: Q, ref: 2535
Hvpx____1120_21_4 =  1.6E+05                                  ! [atm] type: Q, ref: 3731
Hvpx____1120_21_4 =  1.1E+05                                  ! [atm] type: ?, ref: 2440
Hvpx____1120_21_4 =  1.0E+05                                  ! [atm] type: ?, ref: 789

! species:  2-methyldecane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    6975-98-0
! inchikey: CNPVJWYWYZMPDS-UHFFFAOYSA-N
Hvpx____6975_98_0 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6975_98_0 =  1.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____6975_98_0 =  4.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyldecane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    13151-34-3
! inchikey: JJRUZTXRDDMYGM-UHFFFAOYSA-N
Hvpx___13151_34_3 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13151_34_3 =  2.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___13151_34_3 =  4.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyldecane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    2847-72-5
! inchikey: DVWZNKLWPILULD-UHFFFAOYSA-N
Hvpx____2847_72_5 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2847_72_5 =  2.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2847_72_5 =  4.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  5-methyldecane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    13151-35-4
! inchikey: QUYFPNWYGLFQQU-UHFFFAOYSA-N
Hvpx___13151_35_4 =  5.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13151_35_4 =  2.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___13151_35_4 =  4.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-14-6
! inchikey: WDSBVMLUILIJOW-UHFFFAOYSA-N
Hvpx___17302_14_6 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_14_6 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_14_6 =  5.5E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    2884-06-2
! inchikey: IGJRNTLDWLTHCQ-UHFFFAOYSA-N
Hvpx____2884_06_2 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2884_06_2 =  3.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2884_06_2 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-24-8
! inchikey: JZUUOAUSQCXSTN-UHFFFAOYSA-N
Hvpx___17302_24_8 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_24_8 =  4.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_24_8 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-27-1
! inchikey: NQUMJENPNGXAIH-UHFFFAOYSA-N
Hvpx___17302_27_1 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_27_1 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_27_1 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-28-2
! inchikey: MGNGOEWESNDQAN-UHFFFAOYSA-N
Hvpx___17302_28_2 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_28_2 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_28_2 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,7-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-29-3
! inchikey: QYQSPINNJUXEDY-UHFFFAOYSA-N
Hvpx___17302_29_3 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_29_3 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_29_3 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,8-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-30-6
! inchikey: FZFRYQHIQUEAAV-UHFFFAOYSA-N
Hvpx___17302_30_6 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_30_6 =  4.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_30_6 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-15-7
! inchikey: HTRYNYZYFGHKDV-UHFFFAOYSA-N
Hvpx___17302_15_7 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_15_7 =  4.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_15_7 =  5.5E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-22-6
! inchikey: PAXLEVPLFYBSQJ-UHFFFAOYSA-N
Hvpx___17302_22_6 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_22_6 =  3.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_22_6 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-25-9
! inchikey: BAFVBVRBYKSWCE-UHFFFAOYSA-N
Hvpx___17302_25_9 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_25_9 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_25_9 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,6-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-31-7
! inchikey: YHLBUWVGPXILSW-UHFFFAOYSA-N
Hvpx___17302_31_7 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_31_7 =  4.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_31_7 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,7-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-32-8
! inchikey: YGPVLXJHRFZYJJ-UHFFFAOYSA-N
Hvpx___17302_32_8 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_32_8 =  4.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_32_8 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-18-0
! inchikey: HARRKRKVTQABSF-UHFFFAOYSA-N
Hvpx___17302_18_0 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_18_0 =  4.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_18_0 =  5.5E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,5-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-23-7
! inchikey: JDNGDDOTBYZAGS-UHFFFAOYSA-N
Hvpx___17302_23_7 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_23_7 =  4.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_23_7 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,6-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-26-0
! inchikey: JZKWOUUZMBTBDO-UHFFFAOYSA-N
Hvpx___17302_26_0 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_26_0 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_26_0 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  5,5-dimethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    6414-96-6
! inchikey: BEPKYSJVUZWKMP-UHFFFAOYSA-N
Hvpx____6414_96_6 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6414_96_6 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____6414_96_6 =  5.5E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-ethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-11-3
! inchikey: FKJSIWPQZCKMIL-UHFFFAOYSA-N
Hvpx___17302_11_3 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_11_3 =  3.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_11_3 =  4.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-ethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    5911-05-7
! inchikey: UGCQDCMVAKKTQG-UHFFFAOYSA-N
Hvpx____5911_05_7 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5911_05_7 =  4.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____5911_05_7 =  4.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  5-ethylnonane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-12-4
! inchikey: QPOVZYGNFWRMJE-UHFFFAOYSA-N
Hvpx___17302_12_4 =  4.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_12_4 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_12_4 =  4.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-26-6
! inchikey: XZPXMWMVWDSEMY-UHFFFAOYSA-N
Hvpx___62016_26_6 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_26_6 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_26_6 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    18932-14-4
! inchikey: IKMGZPRUMVFYBK-UHFFFAOYSA-N
Hvpx___18932_14_4 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18932_14_4 =  5.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___18932_14_4 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-27-7
! inchikey: CSVNISDVBYGXME-UHFFFAOYSA-N
Hvpx___62016_27_7 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_27_7 =  5.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_27_7 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,6-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-28-8
! inchikey: NBIHFQKVSFKHGH-UHFFFAOYSA-N
Hvpx___62016_28_8 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_28_8 =  5.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_28_8 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,7-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-29-9
! inchikey: QGQAHVJOBYNMFN-UHFFFAOYSA-N
Hvpx___62016_29_9 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_29_9 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_29_9 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-30-2
! inchikey: KFYWDCDWVPXXCA-UHFFFAOYSA-N
Hvpx___62016_30_2 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_30_2 =  4.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_30_2 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-31-3
! inchikey: SJQAEXCGOLTHPG-UHFFFAOYSA-N
Hvpx___62016_31_3 =  5.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_31_3 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_31_3 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-32-4
! inchikey: CEOHXVQAHFSSEG-UHFFFAOYSA-N
Hvpx___62016_32_4 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_32_4 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_32_4 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,6-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-33-5
! inchikey: MNFBUNLEXRMWOY-UHFFFAOYSA-N
Hvpx___62016_33_5 =  5.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_33_5 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_33_5 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,7-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-34-6
! inchikey: XJKKSYAVEVAGFX-UHFFFAOYSA-N
Hvpx___62016_34_6 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_34_6 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_34_6 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-35-7
! inchikey: CJXXTMYWNCYKHU-UHFFFAOYSA-N
Hvpx___62016_35_7 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_35_7 =  5.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_35_7 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,5-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-36-8
! inchikey: UJYGOBMOHSFJQP-UHFFFAOYSA-N
Hvpx___62016_36_8 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_36_8 =  5.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_36_8 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,6-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-37-9
! inchikey: XHNIFDXYGLPJLP-UHFFFAOYSA-N
Hvpx___62016_37_9 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_37_9 =  5.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_37_9 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,7-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-38-0
! inchikey: DUHKHXHIPOGMOW-UHFFFAOYSA-N
Hvpx___62016_38_0 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_38_0 =  5.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_38_0 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5,5-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-39-1
! inchikey: DZKJZWAIBSEZKB-UHFFFAOYSA-N
Hvpx___62016_39_1 =  5.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_39_1 =  5.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_39_1 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5,6-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-14-2
! inchikey: VHBZECSWMWWTMQ-UHFFFAOYSA-N
Hvpx___62016_14_2 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_14_2 =  4.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_14_2 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6,6-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    54166-32-4
! inchikey: RUPXAIGHLDMSOL-UHFFFAOYSA-N
Hvpx___54166_32_4 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___54166_32_4 =  5.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___54166_32_4 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-40-4
! inchikey: IJVIFYHTPQSPSW-UHFFFAOYSA-N
Hvpx___62016_40_4 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_40_4 =  4.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_40_4 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,5-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-41-5
! inchikey: BEFCOJKHEMBPSK-UHFFFAOYSA-N
Hvpx___62016_41_5 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_41_5 =  5.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_41_5 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,6-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-42-6
! inchikey: CFESHXNQRRYSED-UHFFFAOYSA-N
Hvpx___62016_42_6 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_42_6 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_42_6 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-43-7
! inchikey: WWCBWKZBTINVDE-UHFFFAOYSA-N
Hvpx___62016_43_7 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_43_7 =  4.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_43_7 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,5-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-44-8
! inchikey: BPFOUTQNEVQSFR-UHFFFAOYSA-N
Hvpx___62016_44_8 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_44_8 =  4.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_44_8 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,6-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-45-9
! inchikey: RMGAENUTYIFEJO-UHFFFAOYSA-N
Hvpx___62016_45_9 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_45_9 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_45_9 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5,5-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-94-8
! inchikey: FVYNWISHVUNIOZ-UHFFFAOYSA-N
Hvpx___61868_94_8 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_94_8 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_94_8 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,4,5-trimethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-95-9
! inchikey: QGCXVKCDWOOWTQ-UHFFFAOYSA-N
Hvpx___61868_95_9 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_95_9 =  4.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_95_9 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3-ethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-16-4
! inchikey: ITDXDXCBDQBZEB-UHFFFAOYSA-N
Hvpx___62016_16_4 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_16_4 =  4.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_16_4 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4-ethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-17-5
! inchikey: ZYEQSLLHBOITAM-UHFFFAOYSA-N
Hvpx___62016_17_5 =  5.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_17_5 =  5.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_17_5 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-5-ethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-18-6
! inchikey: CQCKNPUKBOITAX-UHFFFAOYSA-N
Hvpx___62016_18_6 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_18_6 =  4.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_18_6 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-6-ethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-19-7
! inchikey: AZXGABNJUBNOHW-UHFFFAOYSA-N
Hvpx___62016_19_7 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_19_7 =  4.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_19_7 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-3-ethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-16-8
! inchikey: DQNINFLTCGTQGU-UHFFFAOYSA-N
Hvpx___17302_16_8 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_16_8 =  3.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_16_8 =  5.5E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-4-ethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-20-0
! inchikey: BTRAURWAFYPYMW-UHFFFAOYSA-N
Hvpx___62016_20_0 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_20_0 =  4.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_20_0 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-5-ethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-21-1
! inchikey: LZFCEXJTLLKGPW-UHFFFAOYSA-N
Hvpx___62016_21_1 =  5.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_21_1 =  5.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_21_1 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-6-ethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-22-2
! inchikey: FTQLPWORENXYAZ-UHFFFAOYSA-N
Hvpx___62016_22_2 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_22_2 =  4.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_22_2 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-3-ethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-23-3
! inchikey: LXRSBMFQRZTMNK-UHFFFAOYSA-N
Hvpx___62016_23_3 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_23_3 =  4.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_23_3 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-4-ethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-19-1
! inchikey: IXZULXYHNRHENR-UHFFFAOYSA-N
Hvpx___17302_19_1 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_19_1 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_19_1 =  5.5E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-5-ethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-24-4
! inchikey: DTSHQAHKLUTGAR-UHFFFAOYSA-N
Hvpx___62016_24_4 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_24_4 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_24_4 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-6-ethyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-25-5
! inchikey: NXUUVZOGBPCPDV-UHFFFAOYSA-N
Hvpx___62016_25_5 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_25_5 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_25_5 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-propyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-13-5
! inchikey: VFAMBAFLNKONTN-UHFFFAOYSA-N
Hvpx___17302_13_5 =  4.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_13_5 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_13_5 =  4.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-isopropyloctane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-15-3
! inchikey: VSJAVEFYQMREHJ-UHFFFAOYSA-N
Hvpx___62016_15_3 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_15_3 =  4.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_15_3 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,3-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-40-4
! inchikey: YPGGGWSLWOECQF-UHFFFAOYSA-N
Hvpx___61868_40_4 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_40_4 =  4.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_40_4 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-41-5
! inchikey: HPKDRGPKZGWSND-UHFFFAOYSA-N
Hvpx___61868_41_5 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_41_5 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_41_5 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,5-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-42-6
! inchikey: KXNFNEAZTWCHIL-UHFFFAOYSA-N
Hvpx___61868_42_6 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_42_6 =  5.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_42_6 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,6-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-43-7
! inchikey: AQHGQPHAJYTMDJ-UHFFFAOYSA-N
Hvpx___61868_43_7 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_43_7 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_43_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,4-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-44-8
! inchikey: JMRHVFQTDSCACD-UHFFFAOYSA-N
Hvpx___61868_44_8 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_44_8 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_44_8 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,5-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-45-9
! inchikey: MPDBIZNQOUSUIN-UHFFFAOYSA-N
Hvpx___61868_45_9 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_45_9 =  6.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_45_9 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,6-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-46-0
! inchikey: XSMHBEAIQLABAO-UHFFFAOYSA-N
Hvpx___61868_46_0 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_46_0 =  7.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_46_0 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5,5-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-47-1
! inchikey: VQJNSRPWQMPDDO-UHFFFAOYSA-N
Hvpx___61868_47_1 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_47_1 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_47_1 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5,6-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-48-2
! inchikey: ZYJXKOJVCNGFSL-UHFFFAOYSA-N
Hvpx___61868_48_2 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_48_2 =  6.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_48_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,6,6-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    40117-45-1
! inchikey: GKNMBVVJQTWDRT-UHFFFAOYSA-N
Hvpx___40117_45_1 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___40117_45_1 =  7.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___40117_45_1 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,4-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-49-3
! inchikey: OHIUILFTBGSFAG-UHFFFAOYSA-N
Hvpx___61868_49_3 =  6.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_49_3 =  4.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_49_3 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,5-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-50-6
! inchikey: XGCFPCZVDOZHLT-UHFFFAOYSA-N
Hvpx___61868_50_6 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_50_6 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_50_6 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,6-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-51-7
! inchikey: ZVRALCAHDAJURU-UHFFFAOYSA-N
Hvpx___61868_51_7 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_51_7 =  5.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_51_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,4-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-52-8
! inchikey: SXHQWTUVNZIMTP-UHFFFAOYSA-N
Hvpx___61868_52_8 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_52_8 =  4.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_52_8 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,5-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-53-9
! inchikey: LGUFKOOYNDNVNP-UHFFFAOYSA-N
Hvpx___61868_53_9 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_53_9 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_53_9 =  5.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,6-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-54-0
! inchikey: WOHJQOFSYZPITE-UHFFFAOYSA-N
Hvpx___61868_54_0 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_54_0 =  5.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_54_0 =  5.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5,5-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-55-1
! inchikey: QSBIXVGCKCYBBL-UHFFFAOYSA-N
Hvpx___61868_55_1 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_55_1 =  5.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_55_1 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5,6-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    52670-32-3
! inchikey: RAHGVMDMAJFLTP-UHFFFAOYSA-N
Hvpx___52670_32_3 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52670_32_3 =  5.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52670_32_3 =  5.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4,5-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-56-2
! inchikey: QALMSCCHYDFGLF-UHFFFAOYSA-N
Hvpx___61868_56_2 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_56_2 =  5.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_56_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4,6-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-57-3
! inchikey: DTMSZIVVBLZFEV-UHFFFAOYSA-N
Hvpx___61868_57_3 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_57_3 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_57_3 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,5,5-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-58-4
! inchikey: JVYVKEOAYQAABU-UHFFFAOYSA-N
Hvpx___61868_58_4 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_58_4 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_58_4 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4,4-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-59-5
! inchikey: CFNIIBCZVLNKPV-UHFFFAOYSA-N
Hvpx___61868_59_5 =  7.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_59_5 =  3.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_59_5 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4,5-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-60-8
! inchikey: QVCSKDHUHWRVTA-UHFFFAOYSA-N
Hvpx___61868_60_8 =  6.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_60_8 =  4.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_60_8 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,5,5-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-61-9
! inchikey: GALDMESQGNRJGE-UHFFFAOYSA-N
Hvpx___61868_61_9 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_61_9 =  4.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_61_9 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4,5-tetramethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-62-0
! inchikey: CXIAIMLBUJNNJR-UHFFFAOYSA-N
Hvpx___61868_62_0 =  7.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_62_0 =  3.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_62_0 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-3-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61869-03-2
! inchikey: SBWMIVQVGGUMCE-UHFFFAOYSA-N
Hvpx___61869_03_2 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61869_03_2 =  5.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61869_03_2 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-4-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-46-0
! inchikey: BJOUMNMMNSZESV-UHFFFAOYSA-N
Hvpx___62016_46_0 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_46_0 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_46_0 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-5-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    62016-47-1
! inchikey: HVVFIKMZXFNXKA-UHFFFAOYSA-N
Hvpx___62016_47_1 =  5.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_47_1 =  5.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_47_1 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-3-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-21-1
! inchikey: KQUHXOYVQZYOOF-UHFFFAOYSA-N
Hvpx___61868_21_1 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_21_1 =  4.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_21_1 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-4-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-22-2
! inchikey: CNEPAGDSOHLVRW-UHFFFAOYSA-N
Hvpx___61868_22_2 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_22_2 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_22_2 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-5-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-23-3
! inchikey: BFCKNSGKYWMUNP-UHFFFAOYSA-N
Hvpx___61868_23_3 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_23_3 =  4.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_23_3 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-3-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-24-4
! inchikey: OBCGEYFMJYXFJV-UHFFFAOYSA-N
Hvpx___61868_24_4 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_24_4 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_24_4 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-4-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-25-5
! inchikey: OETKSNKIFXLJDO-UHFFFAOYSA-N
Hvpx___61868_25_5 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_25_5 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_25_5 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-5-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-26-6
! inchikey: RZHNOEUMKYRHIX-UHFFFAOYSA-N
Hvpx___61868_26_6 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_26_6 =  5.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_26_6 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-3-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-27-7
! inchikey: DEZOXTLNRYCKNK-UHFFFAOYSA-N
Hvpx___61868_27_7 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_27_7 =  5.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_27_7 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-4-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-28-8
! inchikey: CUHCBWKQRDWQMN-UHFFFAOYSA-N
Hvpx___61868_28_8 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_28_8 =  5.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_28_8 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-5-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-29-9
! inchikey: GPZDEXDVXFJVLH-UHFFFAOYSA-N
Hvpx___61868_29_9 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_29_9 =  4.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_29_9 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyl-3-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-30-2
! inchikey: BFXHSWDHLPKFSH-UHFFFAOYSA-N
Hvpx___61868_30_2 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_30_2 =  5.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_30_2 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyl-4-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-31-3
! inchikey: GBSGJLJGXHBTQQ-UHFFFAOYSA-N
Hvpx___61868_31_3 =  5.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_31_3 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_31_3 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-4-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-32-4
! inchikey: QXJXAHFNWHEQEU-UHFFFAOYSA-N
Hvpx___61868_32_4 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_32_4 =  4.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_32_4 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-5-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-33-5
! inchikey: FLLHBJKGZIOYAA-UHFFFAOYSA-N
Hvpx___61868_33_5 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_33_5 =  5.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_33_5 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-3-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-34-6
! inchikey: HKSCZRRMBTUZLO-UHFFFAOYSA-N
Hvpx___61868_34_6 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_34_6 =  3.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_34_6 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-4-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-35-7
! inchikey: RMVWUAZCGGWZKA-UHFFFAOYSA-N
Hvpx___61868_35_7 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_35_7 =  4.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_35_7 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-5-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-36-8
! inchikey: PCRCVFLPWIQGNJ-UHFFFAOYSA-N
Hvpx___61868_36_8 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_36_8 =  4.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_36_8 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyl-3-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-37-9
! inchikey: FQOCKNRDCVODKW-UHFFFAOYSA-N
Hvpx___61868_37_9 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_37_9 =  4.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_37_9 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyl-4-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-38-0
! inchikey: IKVNPWSSYMJDKE-UHFFFAOYSA-N
Hvpx___61868_38_0 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_38_0 =  4.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_38_0 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-3-ethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-39-1
! inchikey: YMWPSGKMCMMFSS-UHFFFAOYSA-N
Hvpx___61868_39_1 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_39_1 =  5.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_39_1 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4-propylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-96-0
! inchikey: AXOUMHTUGUFOKF-UHFFFAOYSA-N
Hvpx___61868_96_0 =  4.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_96_0 =  5.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_96_0 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-4-propylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-97-1
! inchikey: WAMROSASDOIVDE-UHFFFAOYSA-N
Hvpx___61868_97_1 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_97_1 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_97_1 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-4-propylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-20-4
! inchikey: RDZFGBZTNOYNAH-UHFFFAOYSA-N
Hvpx___17302_20_4 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_20_4 =  4.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_20_4 =  5.5E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3-isopropylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    6876-18-2
! inchikey: GECZBVJYUAPYFD-UHFFFAOYSA-N
Hvpx____6876_18_2 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6876_18_2 =  4.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____6876_18_2 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4-isopropylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-98-2
! inchikey: ADLZFTVQXMDTCY-UHFFFAOYSA-N
Hvpx___61868_98_2 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_98_2 =  5.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_98_2 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-4-isopropylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-99-3
! inchikey: SRECVVXQFXRBNI-UHFFFAOYSA-N
Hvpx___61868_99_3 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_99_3 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_99_3 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-4-isopropylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61869-00-9
! inchikey: LSJZMBVEVGYTAG-UHFFFAOYSA-N
Hvpx___61869_00_9 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61869_00_9 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61869_00_9 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3-diethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-17-9
! inchikey: XATIZWAWQAIMQJ-UHFFFAOYSA-N
Hvpx___17302_17_9 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_17_9 =  3.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_17_9 =  5.5E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-diethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61869-01-0
! inchikey: UWOPVDFSBGDRJR-UHFFFAOYSA-N
Hvpx___61869_01_0 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61869_01_0 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61869_01_0 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5-diethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61869-02-1
! inchikey: OBHTWTQZINRNAB-UHFFFAOYSA-N
Hvpx___61869_02_1 =  5.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61869_02_1 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61869_02_1 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,4-diethylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    17302-21-5
! inchikey: WDTMGYSKSAMSPF-UHFFFAOYSA-N
Hvpx___17302_21_5 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_21_5 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_21_5 =  5.5E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-{\it tert}-butylheptane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    60302-21-8
! inchikey: MDOHZJRFNISIIH-UHFFFAOYSA-N
Hvpx___60302_21_8 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60302_21_8 =  5.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___60302_21_8 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,3,4-pentamethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-85-7
! inchikey: RSEBTOONCGVAKN-UHFFFAOYSA-N
Hvpx___61868_85_7 =  8.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_85_7 =  3.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_85_7 =  6.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,3,5-pentamethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-86-8
! inchikey: QGVXFIIZUSICQO-UHFFFAOYSA-N
Hvpx___61868_86_8 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_86_8 =  5.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_86_8 =  6.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4,4-pentamethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-87-9
! inchikey: HBVQLCKOFAUQGY-UHFFFAOYSA-N
Hvpx___61868_87_9 =  8.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_87_9 =  3.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_87_9 =  6.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4,5-pentamethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-88-0
! inchikey: LDUJDGROUWHEKU-UHFFFAOYSA-N
Hvpx___61868_88_0 =  6.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_88_0 =  5.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_88_0 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,5,5-pentamethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    14739-73-2
! inchikey: UKYAYXXQXKPIBL-UHFFFAOYSA-N
Hvpx___14739_73_2 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14739_73_2 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___14739_73_2 =  6.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,4,5-pentamethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    60302-23-0
! inchikey: JQFZWBZEZYOCQL-UHFFFAOYSA-N
Hvpx___60302_23_0 =  7.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60302_23_0 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___60302_23_0 =  6.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,4,4-pentamethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-89-1
! inchikey: GHRPCKCGHFDDOH-UHFFFAOYSA-N
Hvpx___61868_89_1 =  8.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_89_1 =  3.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_89_1 =  6.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,4,5-pentamethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    52670-33-4
! inchikey: STMIMOZUYGUOQZ-UHFFFAOYSA-N
Hvpx___52670_33_4 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52670_33_4 =  4.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52670_33_4 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3-trimethyl-3-ethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-72-2
! inchikey: HUAYVWMWWLHZAB-UHFFFAOYSA-N
Hvpx___61868_72_2 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_72_2 =  4.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_72_2 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3-trimethyl-4-ethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-73-3
! inchikey: ZSUMTZIXJNZKBI-UHFFFAOYSA-N
Hvpx___61868_73_3 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_73_3 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_73_3 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4-trimethyl-3-ethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-74-4
! inchikey: UDUTWNYTAVENNO-UHFFFAOYSA-N
Hvpx___61868_74_4 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_74_4 =  5.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_74_4 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4-trimethyl-4-ethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-75-5
! inchikey: YFQDCXGMLYJDSG-UHFFFAOYSA-N
Hvpx___61868_75_5 =  7.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_75_5 =  4.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_75_5 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5-trimethyl-3-ethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-76-6
! inchikey: GJVFOLLEVKEKMU-UHFFFAOYSA-N
Hvpx___61868_76_6 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_76_6 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_76_6 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5-trimethyl-4-ethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-77-7
! inchikey: UKTBERWYLDSZDQ-UHFFFAOYSA-N
Hvpx___61868_77_7 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_77_7 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_77_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3-trimethyl-4-ethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-78-8
! inchikey: DNDCULLMOLSZER-UHFFFAOYSA-N
Hvpx___61868_78_8 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_78_8 =  4.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_78_8 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4-trimethyl-3-ethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-79-9
! inchikey: XCNOKZUAQAZTAJ-UHFFFAOYSA-N
Hvpx___61868_79_9 =  7.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_79_9 =  3.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_79_9 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4-trimethyl-4-ethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-80-2
! inchikey: HNNSQDJQJRTMMW-UHFFFAOYSA-N
Hvpx___61868_80_2 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_80_2 =  4.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_80_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5-trimethyl-3-ethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-81-3
! inchikey: VYVPEEFLIYVOTH-UHFFFAOYSA-N
Hvpx___61868_81_3 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_81_3 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_81_3 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5-trimethyl-4-ethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-82-4
! inchikey: LDKMZLRIVWGQRW-UHFFFAOYSA-N
Hvpx___61868_82_4 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_82_4 =  4.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_82_4 =  5.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4-trimethyl-3-ethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-83-5
! inchikey: MTYPKDRKJRWXKB-UHFFFAOYSA-N
Hvpx___61868_83_5 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_83_5 =  4.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_83_5 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4-trimethyl-4-ethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-84-6
! inchikey: ADDYWUNUHVKQGT-UHFFFAOYSA-N
Hvpx___61868_84_6 =  8.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_84_6 =  3.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_84_6 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-3-isopropylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-63-1
! inchikey: VKABOTNMFKIVDN-UHFFFAOYSA-N
Hvpx___61868_63_1 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_63_1 =  5.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_63_1 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-3-isopropylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-64-2
! inchikey: XVWGUCNHEXRNJU-UHFFFAOYSA-N
Hvpx___61868_64_2 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_64_2 =  4.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_64_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-3-isopropylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-65-3
! inchikey: QRNSQXWPYPLHTL-UHFFFAOYSA-N
Hvpx___61868_65_3 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_65_3 =  5.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_65_3 =  5.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-3-isopropylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-66-4
! inchikey: QKICRGDGSLQROM-UHFFFAOYSA-N
Hvpx___61868_66_4 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_66_4 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_66_4 =  5.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3,3-diethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-67-5
! inchikey: QNRHKXCWHYUEKP-UHFFFAOYSA-N
Hvpx___61868_67_5 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_67_5 =  3.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_67_5 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3,4-diethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-68-6
! inchikey: MWHIPTVSAPEYPC-UHFFFAOYSA-N
Hvpx___61868_68_6 =  5.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_68_6 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_68_6 =  5.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4,4-diethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-69-7
! inchikey: UNPXTJSCIHOMKB-UHFFFAOYSA-N
Hvpx___61868_69_7 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_69_7 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_69_7 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-3,4-diethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-70-0
! inchikey: ZFMWIWWLOKHXHC-UHFFFAOYSA-N
Hvpx___61868_70_0 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_70_0 =  3.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_70_0 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-4,4-diethylhexane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-71-1
! inchikey: CUHCCZRBXHOAMW-UHFFFAOYSA-N
Hvpx___61868_71_1 =  6.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_71_1 =  3.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_71_1 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,3,4,4-hexamethylpentane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    60302-27-4
! inchikey: JKJQSSSRSKPVEM-UHFFFAOYSA-N
Hvpx___60302_27_4 =  1.1E+06                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60302_27_4 =  2.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___60302_27_4 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4-tetramethyl-3-ethylpentane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-93-7
! inchikey: HBSINJYUKWVYBC-UHFFFAOYSA-N
Hvpx___61868_93_7 =  8.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_93_7 =  3.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_93_7 =  6.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,4-tetramethyl-3-ethylpentane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    3178-30-1
! inchikey: FNWCWFQEEKFGHB-UHFFFAOYSA-N
Hvpx____3178_30_1 =  7.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3178_30_1 =  4.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____3178_30_1 =  6.7E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4-trimethyl-3-isopropylpentane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-90-4
! inchikey: SZPCILWZDHUKLW-UHFFFAOYSA-N
Hvpx___61868_90_4 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_90_4 =  5.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_90_4 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4-trimethyl-3-isopropylpentane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-91-5
! inchikey: FHBFVPOXLRZZPP-UHFFFAOYSA-N
Hvpx___61868_91_5 =  7.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_91_5 =  3.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_91_5 =  6.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-3,3-diethylpentane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    60302-28-5
! inchikey: KCQSYGZVYTYSLG-UHFFFAOYSA-N
Hvpx___60302_28_5 =  8.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60302_28_5 =  3.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___60302_28_5 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-3,3-diethylpentane
! formula:  C_{11}H_{24}
! trivial:  
! casrn:    61868-92-6
! inchikey: VVQOQVXGUMJNET-UHFFFAOYSA-N
Hvpx___61868_92_6 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_92_6 =  3.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_92_6 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  dodecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    112-40-3
! inchikey: SNRUBQQJIBEYMU-UHFFFAOYSA-N
Hvpx_____112_40_3 =  4.4E+05                                  ! [atm] type: L, ref: 3673
Hvpx_____112_40_3 =  4.1E+05                                  ! [atm] type: L, ref: 479
Hvpx_____112_40_3 =  4.5E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____112_40_3 =  4.5E+05                                  ! [atm] type: V, ref: 3088
Hvpx_____112_40_3 =  4.5E+05                                  ! [atm] type: V, ref: 2611
Hvpx_____112_40_3 =  4.3E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____112_40_3 =  4.6E+05                                  ! [atm] type: V, ref: 1497
Hvpx_____112_40_3 =  4.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_40_3 =  4.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_40_3 =  1.8E+05                                  ! [atm] type: Q, ref: 3682
Hvpx_____112_40_3 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____112_40_3 =  3.2E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____112_40_3 =  6.4E+05                                  ! [atm] type: Q, ref: 3409
Hvpx_____112_40_3 =  1.0E+05                                  ! [atm] type: Q, ref: 3409
Hvpx_____112_40_3 =  1.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____112_40_3 =  4.4E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_40_3 =  3.5E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_40_3 =  5.5E+05                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_40_3 =  3.3E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____112_40_3 =  5.0E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_40_3 =  1.7E+05                                  ! [atm] type: Q, ref: 2530
Hvpx_____112_40_3 =  4.5E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____112_40_3 =  4.0E+05                                  ! [atm] type: ?, ref: 789

! species:  2-methylundecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    31807-55-3
! inchikey: GTJOHISYCKPIMT-UHFFFAOYSA-N
Hvpx___31807_55_3 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___31807_55_3 =  1.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___31807_55_3 =  4.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methylundecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    1002-43-3
! inchikey: HTZWVZNRDDOFEI-UHFFFAOYSA-N
Hvpx____1002_43_3 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1002_43_3 =  1.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1002_43_3 =  4.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methylundecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    2980-69-0
! inchikey: KNMXZGDUJVOTOC-UHFFFAOYSA-N
Hvpx____2980_69_0 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2980_69_0 =  2.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2980_69_0 =  4.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  5-methylundecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    1632-70-8
! inchikey: QULNVKABFWNUCW-UHFFFAOYSA-N
Hvpx____1632_70_8 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1632_70_8 =  2.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1632_70_8 =  4.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  6-methylundecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17302-33-9
! inchikey: VPYZCUCKYWHJGX-UHFFFAOYSA-N
Hvpx___17302_33_9 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_33_9 =  2.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_33_9 =  4.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17302-37-3
! inchikey: WBWYXWILSHQILH-UHFFFAOYSA-N
Hvpx___17302_37_3 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_37_3 =  1.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_37_3 =  5.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-44-6
! inchikey: ZCTGYLNFWOQVHV-UHFFFAOYSA-N
Hvpx___17312_44_6 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_44_6 =  2.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_44_6 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    2801-84-5
! inchikey: OJAFXEXESSNPMH-UHFFFAOYSA-N
Hvpx____2801_84_5 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2801_84_5 =  2.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2801_84_5 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-50-4
! inchikey: DQHKBYZSYRJBMD-UHFFFAOYSA-N
Hvpx___17312_50_4 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_50_4 =  2.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_50_4 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    13150-81-7
! inchikey: DHJGXZWEQBKLNV-UHFFFAOYSA-N
Hvpx___13150_81_7 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13150_81_7 =  2.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___13150_81_7 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,7-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-51-5
! inchikey: RVQIXUWWPOTVNP-UHFFFAOYSA-N
Hvpx___17312_51_5 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_51_5 =  2.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_51_5 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,8-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-52-6
! inchikey: KSRGGHUVCVWVDW-UHFFFAOYSA-N
Hvpx___17312_52_6 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_52_6 =  2.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_52_6 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,9-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    1002-17-1
! inchikey: HWISDPDDDUZJAW-UHFFFAOYSA-N
Hvpx____1002_17_1 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1002_17_1 =  1.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1002_17_1 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17302-38-4
! inchikey: URERYYDSQOIHQK-UHFFFAOYSA-N
Hvpx___17302_38_4 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_38_4 =  3.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_38_4 =  5.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-45-7
! inchikey: NRBMEEDORZDRIT-UHFFFAOYSA-N
Hvpx___17312_45_7 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_45_7 =  3.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_45_7 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-48-0
! inchikey: XXSUEVGKGOUJMD-UHFFFAOYSA-N
Hvpx___17312_48_0 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_48_0 =  4.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_48_0 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,6-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-53-7
! inchikey: NQWFSCYWTXQNGG-UHFFFAOYSA-N
Hvpx___17312_53_7 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_53_7 =  3.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_53_7 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,7-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-54-8
! inchikey: VDAVEASVPZDNQB-UHFFFAOYSA-N
Hvpx___17312_54_8 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_54_8 =  3.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_54_8 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,8-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-55-9
! inchikey: KMAHIPNGGSOJSM-UHFFFAOYSA-N
Hvpx___17312_55_9 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_55_9 =  3.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_55_9 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-39-9
! inchikey: WZCACTKWHXCWFZ-UHFFFAOYSA-N
Hvpx___17312_39_9 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_39_9 =  4.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_39_9 =  5.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,5-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-46-8
! inchikey: QZFIIEYSHODCSV-UHFFFAOYSA-N
Hvpx___17312_46_8 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_46_8 =  3.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_46_8 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,6-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-49-1
! inchikey: TVGNRLXIJXKVGD-UHFFFAOYSA-N
Hvpx___17312_49_1 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_49_1 =  4.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_49_1 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,7-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-56-0
! inchikey: GCKWUFQALHAZDH-UHFFFAOYSA-N
Hvpx___17312_56_0 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_56_0 =  4.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_56_0 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  5,5-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17453-92-8
! inchikey: RNXSOUOIPAWOAC-UHFFFAOYSA-N
Hvpx___17453_92_8 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17453_92_8 =  4.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17453_92_8 =  5.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  5,6-dimethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    1636-43-7
! inchikey: NCJIZIYQFWXMFZ-UHFFFAOYSA-N
Hvpx____1636_43_7 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1636_43_7 =  3.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1636_43_7 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17085-96-0
! inchikey: ZBDDVSBBCGZQDV-UHFFFAOYSA-N
Hvpx___17085_96_0 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17085_96_0 =  2.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17085_96_0 =  4.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-ethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    1636-44-8
! inchikey: IGTKVLJTIZALGL-UHFFFAOYSA-N
Hvpx____1636_44_8 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1636_44_8 =  3.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1636_44_8 =  4.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  5-ethyldecane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17302-36-2
! inchikey: BCQLAHKMMOGIIS-UHFFFAOYSA-N
Hvpx___17302_36_2 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_36_2 =  3.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_36_2 =  4.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    55499-04-2
! inchikey: XXNUJUNKYOZLAJ-UHFFFAOYSA-N
Hvpx___55499_04_2 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___55499_04_2 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___55499_04_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-50-3
! inchikey: YYYAICGYFLHBIN-UHFFFAOYSA-N
Hvpx___62184_50_3 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_50_3 =  7.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_50_3 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-51-4
! inchikey: ZIXRFABUOOUIMA-UHFFFAOYSA-N
Hvpx___62184_51_4 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_51_4 =  7.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_51_4 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,6-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-52-5
! inchikey: BUTMZMIZSWINDK-UHFFFAOYSA-N
Hvpx___62184_52_5 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_52_5 =  8.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_52_5 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,7-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-53-6
! inchikey: PXOURNMYVAOUML-UHFFFAOYSA-N
Hvpx___62184_53_6 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_53_6 =  6.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_53_6 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,8-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-54-7
! inchikey: WXUAVABOZJOELJ-UHFFFAOYSA-N
Hvpx___62184_54_7 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_54_7 =  6.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_54_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-55-8
! inchikey: RSUFJUIYLXRYFG-UHFFFAOYSA-N
Hvpx___62184_55_8 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_55_8 =  5.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_55_8 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-56-9
! inchikey: RRZRZLRUYPZYEH-UHFFFAOYSA-N
Hvpx___62184_56_9 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_56_9 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_56_9 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-57-0
! inchikey: IESSJVKAXJWJFD-UHFFFAOYSA-N
Hvpx___62184_57_0 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_57_0 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_57_0 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,6-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-58-1
! inchikey: AUXUELQPRQTQBE-UHFFFAOYSA-N
Hvpx___62184_58_1 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_58_1 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_58_1 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,7-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-59-2
! inchikey: GGUGBCMHEULHJS-UHFFFAOYSA-N
Hvpx___62184_59_2 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_59_2 =  5.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_59_2 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,8-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-60-5
! inchikey: GQHCJRDJABETBJ-UHFFFAOYSA-N
Hvpx___62184_60_5 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_60_5 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_60_5 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-61-6
! inchikey: RRLKOZCPQXMIIJ-UHFFFAOYSA-N
Hvpx___62184_61_6 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_61_6 =  8.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_61_6 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,5-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-62-7
! inchikey: NZAPYIGNIYRJNJ-UHFFFAOYSA-N
Hvpx___62184_62_7 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_62_7 =  6.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_62_7 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,6-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-10-5
! inchikey: QCQMRLDBNMVKOZ-UHFFFAOYSA-N
Hvpx___62184_10_5 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_10_5 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_10_5 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,7-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-11-6
! inchikey: OHBDIVOYUFLOTO-UHFFFAOYSA-N
Hvpx___62184_11_6 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_11_6 =  7.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_11_6 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,8-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    49542-74-7
! inchikey: PZXMOJBYRFSNJH-UHFFFAOYSA-N
Hvpx___49542_74_7 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___49542_74_7 =  7.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___49542_74_7 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5,5-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-12-7
! inchikey: ZRRKWMYBHUMSTG-UHFFFAOYSA-N
Hvpx___62184_12_7 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_12_7 =  8.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_12_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5,6-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-13-8
! inchikey: KXHDWXIQHWSOHI-UHFFFAOYSA-N
Hvpx___62184_13_8 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_13_8 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_13_8 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5,7-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-14-9
! inchikey: KMBPYTMBXFKXON-UHFFFAOYSA-N
Hvpx___62184_14_9 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_14_9 =  7.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_14_9 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5,8-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    49557-09-7
! inchikey: YYZRNFMGAQMLJJ-UHFFFAOYSA-N
Hvpx___49557_09_7 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___49557_09_7 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___49557_09_7 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6,6-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-15-0
! inchikey: MTPVPWZHWOHMQT-UHFFFAOYSA-N
Hvpx___62184_15_0 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_15_0 =  8.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_15_0 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6,7-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-16-1
! inchikey: PGLYQCHTCUBASV-UHFFFAOYSA-N
Hvpx___62184_16_1 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_16_1 =  6.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_16_1 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,7,7-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-17-2
! inchikey: RCTMUTWYOMEASD-UHFFFAOYSA-N
Hvpx___62184_17_2 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_17_2 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_17_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-18-3
! inchikey: RNCRKMFELJSFRA-UHFFFAOYSA-N
Hvpx___62184_18_3 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_18_3 =  5.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_18_3 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,5-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-19-4
! inchikey: KRWQPUYFIGHZNF-UHFFFAOYSA-N
Hvpx___62184_19_4 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_19_4 =  8.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_19_4 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,6-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-20-7
! inchikey: GPSMOBMYMZBKGT-UHFFFAOYSA-N
Hvpx___62184_20_7 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_20_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_20_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,7-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-21-8
! inchikey: NZYGFHSHEQXPFT-UHFFFAOYSA-N
Hvpx___62184_21_8 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_21_8 =  6.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_21_8 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-22-9
! inchikey: UYNWXBDPBKCTRS-UHFFFAOYSA-N
Hvpx___62184_22_9 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_22_9 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_22_9 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,5-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-23-0
! inchikey: PFVDUOFPBLPHEQ-UHFFFAOYSA-N
Hvpx___62184_23_0 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_23_0 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_23_0 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,6-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-24-1
! inchikey: VSRUKIVBXBGRDU-UHFFFAOYSA-N
Hvpx___62184_24_1 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_24_1 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_24_1 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,7-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    27802-85-3
! inchikey: HQIBDLHPQGDJEW-UHFFFAOYSA-N
Hvpx___27802_85_3 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___27802_85_3 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___27802_85_3 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5,5-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-25-2
! inchikey: MUVSDRJGHVLJQX-UHFFFAOYSA-N
Hvpx___62184_25_2 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_25_2 =  7.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_25_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5,6-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-26-3
! inchikey: HMCPPWBQUPZETF-UHFFFAOYSA-N
Hvpx___62184_26_3 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_26_3 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_26_3 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5,7-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-27-4
! inchikey: LLVWEFHXQBAEJX-UHFFFAOYSA-N
Hvpx___62184_27_4 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_27_4 =  6.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_27_4 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,6,6-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-28-5
! inchikey: CBDYLMAJISNHBH-UHFFFAOYSA-N
Hvpx___62184_28_5 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_28_5 =  8.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_28_5 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,4,5-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-29-6
! inchikey: QLJZSYCAASGFGU-UHFFFAOYSA-N
Hvpx___62184_29_6 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_29_6 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_29_6 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,4,6-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-30-9
! inchikey: KBTTWWLCACXOSV-UHFFFAOYSA-N
Hvpx___62184_30_9 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_30_9 =  7.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_30_9 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,5,5-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-31-0
! inchikey: QVDLUCCOJXIINS-UHFFFAOYSA-N
Hvpx___62184_31_0 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_31_0 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_31_0 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,5,6-trimethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62211-85-2
! inchikey: BBEKERHGCOZOIX-UHFFFAOYSA-N
Hvpx___62211_85_2 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62211_85_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62211_85_2 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-73-0
! inchikey: NVCDNLWOUSWNRQ-UHFFFAOYSA-N
Hvpx___62184_73_0 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_73_0 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_73_0 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-37-6
! inchikey: GRYPXYDXCQOVAY-UHFFFAOYSA-N
Hvpx___62184_37_6 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_37_6 =  6.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_37_6 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-5-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-38-7
! inchikey: WZWWJMDOQQIPJZ-UHFFFAOYSA-N
Hvpx___62184_38_7 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_38_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_38_7 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-6-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-39-8
! inchikey: GBMUYXDAAUUNLY-UHFFFAOYSA-N
Hvpx___62184_39_8 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_39_8 =  6.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_39_8 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-7-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-40-1
! inchikey: PHPGTUZXJVCCKP-UHFFFAOYSA-N
Hvpx___62184_40_1 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_40_1 =  5.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_40_1 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-3-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17302-39-5
! inchikey: MJZXPSBAAXOUJF-UHFFFAOYSA-N
Hvpx___17302_39_5 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_39_5 =  5.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_39_5 =  5.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-4-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-41-2
! inchikey: ZELDGOVWPZHVJS-UHFFFAOYSA-N
Hvpx___62184_41_2 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_41_2 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_41_2 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-5-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-42-3
! inchikey: GDUZVOIDJDZQBC-UHFFFAOYSA-N
Hvpx___62184_42_3 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_42_3 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_42_3 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-6-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-43-4
! inchikey: WSMCXXNPFLZSMY-UHFFFAOYSA-N
Hvpx___62184_43_4 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_43_4 =  6.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_43_4 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-7-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-44-5
! inchikey: FSGFZSLYTXQNCW-UHFFFAOYSA-N
Hvpx___62184_44_5 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_44_5 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_44_5 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-3-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-45-6
! inchikey: AUMKRFNJSTUECA-UHFFFAOYSA-N
Hvpx___62184_45_6 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_45_6 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_45_6 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-4-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-40-2
! inchikey: LXQCGRFCISXKCQ-UHFFFAOYSA-N
Hvpx___17312_40_2 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_40_2 =  6.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_40_2 =  5.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-5-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-46-7
! inchikey: BDJIXOFXGLDYLN-UHFFFAOYSA-N
Hvpx___62184_46_7 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_46_7 =  6.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_46_7 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-6-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-47-8
! inchikey: SULZKBWLMOBACQ-UHFFFAOYSA-N
Hvpx___62184_47_8 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_47_8 =  6.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_47_8 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-7-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-48-9
! inchikey: HYIBWPIYSSTZLB-UHFFFAOYSA-N
Hvpx___62184_48_9 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_48_9 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_48_9 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-3-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-49-0
! inchikey: ZBALIHDUORTBQR-UHFFFAOYSA-N
Hvpx___62184_49_0 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_49_0 =  6.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_49_0 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-4-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    1632-71-9
! inchikey: HKUUNAOHRKAJIY-UHFFFAOYSA-N
Hvpx____1632_71_9 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1632_71_9 =  6.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1632_71_9 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-5-ethylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    14531-16-9
! inchikey: DZSBQMNPPIKBNF-UHFFFAOYSA-N
Hvpx___14531_16_9 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14531_16_9 =  6.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___14531_16_9 =  5.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-propylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    6165-37-3
! inchikey: QLKPGWNXMMBQMG-UHFFFAOYSA-N
Hvpx____6165_37_3 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6165_37_3 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____6165_37_3 =  4.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  5-propylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    998-35-6
! inchikey: ISHSSTRAYNPQFX-UHFFFAOYSA-N
Hvpx_____998_35_6 =  4.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____998_35_6 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_____998_35_6 =  4.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-isopropylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-71-8
! inchikey: BXYKZQOGHMLDIE-UHFFFAOYSA-N
Hvpx___62184_71_8 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_71_8 =  6.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_71_8 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  5-isopropylnonane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-72-9
! inchikey: ALZCRHWYCQKCQK-UHFFFAOYSA-N
Hvpx___62184_72_9 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_72_9 =  6.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_72_9 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,3-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-74-8
! inchikey: UXQAEOWCSOPBLF-UHFFFAOYSA-N
Hvpx___62183_74_8 =  7.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_74_8 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_74_8 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-75-9
! inchikey: HEJULKHHKGYPNT-UHFFFAOYSA-N
Hvpx___62183_75_9 =  7.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_75_9 =  6.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_75_9 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,5-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-76-0
! inchikey: MRBTZFDZTJYCAO-UHFFFAOYSA-N
Hvpx___62183_76_0 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_76_0 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_76_0 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-77-1
! inchikey: YRSBZJIBIXVOME-UHFFFAOYSA-N
Hvpx___62183_77_1 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_77_1 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_77_1 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,7-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-78-2
! inchikey: CPEHPCZXBBEYOL-UHFFFAOYSA-N
Hvpx___62183_78_2 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_78_2 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_78_2 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,4-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-79-3
! inchikey: TYUFTNSABIBNRY-UHFFFAOYSA-N
Hvpx___62183_79_3 =  7.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_79_3 =  7.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_79_3 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,5-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-80-6
! inchikey: SNJCVPBJFQJMFW-UHFFFAOYSA-N
Hvpx___62183_80_6 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_80_6 =  8.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_80_6 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-81-7
! inchikey: ODZRFEPMTHWMBK-UHFFFAOYSA-N
Hvpx___62183_81_7 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_81_7 =  9.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_81_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,7-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-82-8
! inchikey: QHDQKPZLRKHEHV-UHFFFAOYSA-N
Hvpx___62183_82_8 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_82_8 =  9.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_82_8 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5,5-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-83-9
! inchikey: RJJMZKVKQLGGDK-UHFFFAOYSA-N
Hvpx___62183_83_9 =  7.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_83_9 =  9.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_83_9 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-84-0
! inchikey: BQUVPJLOJUCQGM-UHFFFAOYSA-N
Hvpx___62183_84_0 =  6.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_84_0 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_84_0 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5,7-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-19-3
! inchikey: ISTINYWNHRBEDQ-UHFFFAOYSA-N
Hvpx___62199_19_3 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_19_3 =  9.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_19_3 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,6,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-20-6
! inchikey: BANZIZHQGFRTMI-UHFFFAOYSA-N
Hvpx___62199_20_6 =  7.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_20_6 =  9.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_20_6 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,6,7-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-21-7
! inchikey: ZSXJNQURTCJFGP-UHFFFAOYSA-N
Hvpx___62199_21_7 =  6.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_21_7 =  7.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_21_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,7,7-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    1071-31-4
! inchikey: QZUFNKONEPLWBC-UHFFFAOYSA-N
Hvpx____1071_31_4 =  7.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1071_31_4 =  9.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1071_31_4 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,4-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-22-8
! inchikey: ITTRGXLKGDMYDX-UHFFFAOYSA-N
Hvpx___62199_22_8 =  7.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_22_8 =  5.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_22_8 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,5-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-23-9
! inchikey: RVOIBAZQSHFKMM-UHFFFAOYSA-N
Hvpx___62199_23_9 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_23_9 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_23_9 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-24-0
! inchikey: MBJHOSHYIFXEPL-UHFFFAOYSA-N
Hvpx___62199_24_0 =  7.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_24_0 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_24_0 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,7-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-25-1
! inchikey: WWQBXZREQWIXFF-UHFFFAOYSA-N
Hvpx___62199_25_1 =  7.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_25_1 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_25_1 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,4-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-26-2
! inchikey: MELCVUZPHQRNTK-UHFFFAOYSA-N
Hvpx___62199_26_2 =  7.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_26_2 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_26_2 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,5-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-27-3
! inchikey: AMIZVDCCXDQOHL-UHFFFAOYSA-N
Hvpx___62199_27_3 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_27_3 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_27_3 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-28-4
! inchikey: OYZWSGWTBSWCLN-UHFFFAOYSA-N
Hvpx___62199_28_4 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_28_4 =  6.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_28_4 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,7-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-29-5
! inchikey: YUCNZDFGMLKYFT-UHFFFAOYSA-N
Hvpx___62199_29_5 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_29_5 =  7.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_29_5 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5,5-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-30-8
! inchikey: RQOLUXQWYAKKTG-UHFFFAOYSA-N
Hvpx___62199_30_8 =  7.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_30_8 =  6.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_30_8 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-31-9
! inchikey: IPYLOMHOPWIUFA-UHFFFAOYSA-N
Hvpx___62199_31_9 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_31_9 =  6.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_31_9 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5,7-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-32-0
! inchikey: AIUMUUQTYGQPMV-UHFFFAOYSA-N
Hvpx___62199_32_0 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_32_0 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_32_0 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,6,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-33-1
! inchikey: CVRMZIOMFWYAPV-UHFFFAOYSA-N
Hvpx___62199_33_1 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_33_1 =  7.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_33_1 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,6,7-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    52670-34-5
! inchikey: FZCGYGCYZRXLDY-UHFFFAOYSA-N
Hvpx___52670_34_5 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52670_34_5 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52670_34_5 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4,5-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-34-2
! inchikey: OBWRJGVWBWXXAO-UHFFFAOYSA-N
Hvpx___62199_34_2 =  6.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_34_2 =  7.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_34_2 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-35-3
! inchikey: UQCGTRPILZWACX-UHFFFAOYSA-N
Hvpx___62199_35_3 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_35_3 =  9.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_35_3 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4,7-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    35866-96-7
! inchikey: QYUWMFZODNLLRJ-UHFFFAOYSA-N
Hvpx___35866_96_7 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___35866_96_7 =  9.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___35866_96_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,5,5-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-36-4
! inchikey: OMFWIGPPTXTQHH-UHFFFAOYSA-N
Hvpx___62199_36_4 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_36_4 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_36_4 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,5,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-37-5
! inchikey: YJMGKHXCSVEVKG-UHFFFAOYSA-N
Hvpx___62199_37_5 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_37_5 =  7.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_37_5 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,5,7-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    2217-17-6
! inchikey: PWYLDJLMYGOPSR-UHFFFAOYSA-N
Hvpx____2217_17_6 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2217_17_6 =  8.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2217_17_6 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,6,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-38-6
! inchikey: VVEPRQWGSASPPP-UHFFFAOYSA-N
Hvpx___62199_38_6 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_38_6 =  8.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_38_6 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5,5,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-39-7
! inchikey: DLCPMTDXNVOOLU-UHFFFAOYSA-N
Hvpx___62199_39_7 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_39_7 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_39_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5,6,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-40-0
! inchikey: SQOVOQLOSFZJGI-UHFFFAOYSA-N
Hvpx___62199_40_0 =  7.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_40_0 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_40_0 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4,4-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-41-1
! inchikey: VXEUNQVVVNDDTL-UHFFFAOYSA-N
Hvpx___62199_41_1 =  8.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_41_1 =  5.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_41_1 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4,5-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-42-2
! inchikey: FATMBSLXTUXZBP-UHFFFAOYSA-N
Hvpx___62199_42_2 =  7.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_42_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_42_2 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-43-3
! inchikey: VCXMKRQQDPQALS-UHFFFAOYSA-N
Hvpx___62199_43_3 =  7.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_43_3 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_43_3 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,5,5-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-44-4
! inchikey: UJLDJWNVZROTLS-UHFFFAOYSA-N
Hvpx___62199_44_4 =  7.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_44_4 =  6.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_44_4 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,5,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-45-5
! inchikey: AQPSWWWUVHSZJK-UHFFFAOYSA-N
Hvpx___62199_45_5 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_45_5 =  7.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_45_5 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,6,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-46-6
! inchikey: PAEUGKMMSQUAGH-UHFFFAOYSA-N
Hvpx___62199_46_6 =  7.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_46_6 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_46_6 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4,5-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-47-7
! inchikey: HWNTXBYEGXKWKG-UHFFFAOYSA-N
Hvpx___62199_47_7 =  7.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_47_7 =  5.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_47_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-19-7
! inchikey: LNRFUGUGPGLBLV-UHFFFAOYSA-N
Hvpx___62185_19_7 =  7.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_19_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_19_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,5,5-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-20-0
! inchikey: NCNZUEBQNGRARF-UHFFFAOYSA-N
Hvpx___62185_20_0 =  7.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_20_0 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_20_0 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,5,6-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-21-1
! inchikey: NADJQGPTQSFIHB-UHFFFAOYSA-N
Hvpx___62185_21_1 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_21_1 =  6.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_21_1 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,4,5,5-tetramethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-22-2
! inchikey: INTYEXUWOYUVGJ-UHFFFAOYSA-N
Hvpx___62185_22_2 =  7.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_22_2 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_22_2 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-3-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-95-3
! inchikey: LIZQPVRBTUZZCL-UHFFFAOYSA-N
Hvpx___62183_95_3 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_95_3 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_95_3 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-4-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-96-4
! inchikey: PEGJIJFSOTZJFH-UHFFFAOYSA-N
Hvpx___62183_96_4 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_96_4 =  8.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_96_4 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-5-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-97-5
! inchikey: ACWGGQUVVQOZPJ-UHFFFAOYSA-N
Hvpx___62183_97_5 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_97_5 =  8.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_97_5 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-6-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-98-6
! inchikey: SHNILIMSRTWRKG-UHFFFAOYSA-N
Hvpx___62183_98_6 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_98_6 =  7.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_98_6 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-3-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-99-7
! inchikey: NDFHPGVSCVJNFR-UHFFFAOYSA-N
Hvpx___62183_99_7 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_99_7 =  5.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_99_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-4-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-00-3
! inchikey: DCBIYDZULXWXTQ-UHFFFAOYSA-N
Hvpx___62184_00_3 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_00_3 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_00_3 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-5-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-01-4
! inchikey: NPUNZBBVZZNRNS-UHFFFAOYSA-N
Hvpx___62184_01_4 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_01_4 =  7.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_01_4 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-6-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-02-5
! inchikey: BWSXPPUMTZVKPA-UHFFFAOYSA-N
Hvpx___62184_02_5 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_02_5 =  6.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_02_5 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-3-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-03-6
! inchikey: QYHDQDAUJCPVFJ-UHFFFAOYSA-N
Hvpx___62184_03_6 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_03_6 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_03_6 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-4-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-04-7
! inchikey: XAKSPVTVTMAMDT-UHFFFAOYSA-N
Hvpx___62184_04_7 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_04_7 =  7.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_04_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-5-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-05-8
! inchikey: JHDZOLPKXSWZKD-UHFFFAOYSA-N
Hvpx___62184_05_8 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_05_8 =  7.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_05_8 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-6-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-06-9
! inchikey: VGDSKYYXZZCASQ-UHFFFAOYSA-N
Hvpx___62184_06_9 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_06_9 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_06_9 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-3-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-07-0
! inchikey: BCQWMBQACXNHGP-UHFFFAOYSA-N
Hvpx___62184_07_0 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_07_0 =  7.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_07_0 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-4-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-08-1
! inchikey: IMMDGMKEESKIQT-UHFFFAOYSA-N
Hvpx___62184_08_1 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_08_1 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_08_1 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-5-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-09-2
! inchikey: BVAIFAWSJOPLJD-UHFFFAOYSA-N
Hvpx___62184_09_2 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_09_2 =  7.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_09_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-6-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-50-0
! inchikey: CYTDZGRTFHXLQS-UHFFFAOYSA-N
Hvpx___62183_50_0 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_50_0 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_50_0 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyl-3-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-51-1
! inchikey: WAFCPUFGSNTFSP-UHFFFAOYSA-N
Hvpx___62183_51_1 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_51_1 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_51_1 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyl-4-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-52-2
! inchikey: JIOQMQLJPQDNFA-UHFFFAOYSA-N
Hvpx___62183_52_2 =  5.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_52_2 =  8.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_52_2 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyl-5-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-53-3
! inchikey: ZBMWKURVBLDBAH-UHFFFAOYSA-N
Hvpx___62183_53_3 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_53_3 =  6.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_53_3 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyl-6-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-54-4
! inchikey: DGFWFJRTTJTVEQ-UHFFFAOYSA-N
Hvpx___62183_54_4 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_54_4 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_54_4 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,7-dimethyl-3-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-55-5
! inchikey: XEMFRSYZKNPRTA-UHFFFAOYSA-N
Hvpx___62183_55_5 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_55_5 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_55_5 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,7-dimethyl-4-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-56-6
! inchikey: KSVMIUVYLYZDMT-UHFFFAOYSA-N
Hvpx___62183_56_6 =  5.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_56_6 =  8.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_56_6 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-4-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-57-7
! inchikey: BKNJDUXGYCILJT-UHFFFAOYSA-N
Hvpx___62183_57_7 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_57_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_57_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-5-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-58-8
! inchikey: GQTCKTISADWVNV-UHFFFAOYSA-N
Hvpx___62183_58_8 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_58_8 =  7.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_58_8 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-6-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-59-9
! inchikey: DDRNTRVXHMVVLA-UHFFFAOYSA-N
Hvpx___62183_59_9 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_59_9 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_59_9 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-3-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62212-28-6
! inchikey: AOQVLRSMPNHJPF-UHFFFAOYSA-N
Hvpx___62212_28_6 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62212_28_6 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62212_28_6 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-4-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-60-2
! inchikey: WBKPODGAYHVUMM-UHFFFAOYSA-N
Hvpx___62183_60_2 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_60_2 =  5.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_60_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-5-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-61-3
! inchikey: LEPWFUNEXVKPDO-UHFFFAOYSA-N
Hvpx___62183_61_3 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_61_3 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_61_3 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-6-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-62-4
! inchikey: DPDGQUDZYGOBAM-UHFFFAOYSA-N
Hvpx___62183_62_4 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_62_4 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_62_4 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyl-3-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-63-5
! inchikey: QYJKERUDQYOWRC-UHFFFAOYSA-N
Hvpx___62183_63_5 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_63_5 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_63_5 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyl-4-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-64-6
! inchikey: OMAJEXDENFMCIN-UHFFFAOYSA-N
Hvpx___62183_64_6 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_64_6 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_64_6 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyl-5-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-65-7
! inchikey: OLBJDMSGRVKJMF-UHFFFAOYSA-N
Hvpx___62183_65_7 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_65_7 =  8.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_65_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyl-6-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-66-8
! inchikey: LLHGAWREVJAITE-UHFFFAOYSA-N
Hvpx___62183_66_8 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_66_8 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_66_8 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,6-dimethyl-3-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-67-9
! inchikey: MNXPIOFJFYQCKE-UHFFFAOYSA-N
Hvpx___62183_67_9 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_67_9 =  6.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_67_9 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,6-dimethyl-4-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-68-0
! inchikey: RTVRGBUFZDOPIH-UHFFFAOYSA-N
Hvpx___62183_68_0 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_68_0 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_68_0 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-3-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-69-1
! inchikey: RHSANRLUOZFJDW-UHFFFAOYSA-N
Hvpx___62183_69_1 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_69_1 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_69_1 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-5-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-70-4
! inchikey: BETVNWPSZXTJLK-UHFFFAOYSA-N
Hvpx___62183_70_4 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_70_4 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_70_4 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-6-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-71-5
! inchikey: UGEWSKWSWHZABT-UHFFFAOYSA-N
Hvpx___62183_71_5 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_71_5 =  7.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_71_5 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,5-dimethyl-3-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-72-6
! inchikey: MNDPOEACQSQPCJ-UHFFFAOYSA-N
Hvpx___62183_72_6 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_72_6 =  6.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_72_6 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,5-dimethyl-4-ethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-73-7
! inchikey: MOEUNMMPAYEJOZ-UHFFFAOYSA-N
Hvpx___62183_73_7 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_73_7 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_73_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3-diethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17302-40-8
! inchikey: DGJISSKLLWWXTG-UHFFFAOYSA-N
Hvpx___17302_40_8 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17302_40_8 =  5.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17302_40_8 =  5.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-diethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-92-0
! inchikey: HILZBOWVGZXYGQ-UHFFFAOYSA-N
Hvpx___62183_92_0 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_92_0 =  6.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_92_0 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5-diethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-93-1
! inchikey: DSYIMNMBWBEOHY-UHFFFAOYSA-N
Hvpx___62183_93_1 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_93_1 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_93_1 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,6-diethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-94-2
! inchikey: UTCTYSTYZOAAOS-UHFFFAOYSA-N
Hvpx___62183_94_2 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_94_2 =  5.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_94_2 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,4-diethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-42-4
! inchikey: FTEQKVNFZNDQJG-UHFFFAOYSA-N
Hvpx___17312_42_4 =  6.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_42_4 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_42_4 =  5.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  4,5-diethyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    1636-41-5
! inchikey: XRVCHXCONYJHLU-UHFFFAOYSA-N
Hvpx____1636_41_5 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1636_41_5 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1636_41_5 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4-propyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-33-2
! inchikey: FJPVBTBEYVNWCA-UHFFFAOYSA-N
Hvpx___62184_33_2 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_33_2 =  7.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_33_2 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-5-propyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-34-3
! inchikey: NYBDGQCIJCAIJL-UHFFFAOYSA-N
Hvpx___62184_34_3 =  5.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_34_3 =  7.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_34_3 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-4-propyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-35-4
! inchikey: CTXPEFTVFFFIBQ-UHFFFAOYSA-N
Hvpx___62184_35_4 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_35_4 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_35_4 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-5-propyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-36-5
! inchikey: VOSHMCRSZWNTLJ-UHFFFAOYSA-N
Hvpx___62184_36_5 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_36_5 =  7.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_36_5 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-4-propyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-41-3
! inchikey: RNKCZSBPRRHTOZ-UHFFFAOYSA-N
Hvpx___17312_41_3 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_41_3 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_41_3 =  5.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-5-propyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-85-1
! inchikey: MVUWSCFPURGAJF-UHFFFAOYSA-N
Hvpx___62183_85_1 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_85_1 =  6.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_85_1 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3-isopropyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    13287-19-9
! inchikey: KBIUKRVYBYJVSS-UHFFFAOYSA-N
Hvpx___13287_19_9 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13287_19_9 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___13287_19_9 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4-isopropyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-86-2
! inchikey: NRRICFUUPCDSKW-UHFFFAOYSA-N
Hvpx___62183_86_2 =  5.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_86_2 =  8.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_86_2 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-5-isopropyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-87-3
! inchikey: OPKVPKXVSDEXOZ-UHFFFAOYSA-N
Hvpx___62183_87_3 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_87_3 =  7.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_87_3 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-4-isopropyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-88-4
! inchikey: UXTHXSNAZBLVOD-UHFFFAOYSA-N
Hvpx___62183_88_4 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_88_4 =  6.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_88_4 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-5-isopropyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-89-5
! inchikey: VEJPAYNPRZYJNN-UHFFFAOYSA-N
Hvpx___62183_89_5 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_89_5 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_89_5 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-4-isopropyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-90-8
! inchikey: KCNISWXEVSJYRS-UHFFFAOYSA-N
Hvpx___62183_90_8 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_90_8 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_90_8 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-5-isopropyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62183-91-9
! inchikey: HEFVKUUZAXCMQX-UHFFFAOYSA-N
Hvpx___62183_91_9 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62183_91_9 =  7.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62183_91_9 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-{\it tert}-butyloctane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-32-1
! inchikey: RWILNGDOCMDMJW-UHFFFAOYSA-N
Hvpx___62184_32_1 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_32_1 =  7.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_32_1 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,6,6-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    13475-82-6
! inchikey: VKPSKYDESGTTFR-UHFFFAOYSA-N
Hvpx___13475_82_6 =  7.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13475_82_6 =  1.1E+06                                  ! [atm] type: Q, ref: 3406
Hvpx___13475_82_6 =  5.1E+05                                  ! [atm] type: Q, ref: 2995
Hvpx___13475_82_6 =  2.4E+06                                  ! [atm] type: Q, ref: 2995
Hvpx___13475_82_6 =  2.2E+04                                  ! [atm] type: Q, ref: 2995
Hvpx___13475_82_6 =  1.1E+05                                  ! [atm] type: Q, ref: 2995
Hvpx___13475_82_6 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,3,4-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-80-5
! inchikey: NTDYBHYVUCYILC-UHFFFAOYSA-N
Hvpx___62198_80_5 =  8.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_80_5 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_80_5 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,3,5-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-81-6
! inchikey: ZLCPPJIFAFIYPV-UHFFFAOYSA-N
Hvpx___62198_81_6 =  8.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_81_6 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_81_6 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,3,6-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-82-7
! inchikey: LYTFNNQFUUFUDH-UHFFFAOYSA-N
Hvpx___62198_82_7 =  8.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_82_7 =  7.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_82_7 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4,4-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-83-8
! inchikey: SUFPUVGFEWPIFA-UHFFFAOYSA-N
Hvpx___62198_83_8 =  8.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_83_8 =  5.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_83_8 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4,5-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-84-9
! inchikey: XYDYIKVIGCXDLV-UHFFFAOYSA-N
Hvpx___62198_84_9 =  7.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_84_9 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_84_9 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4,6-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-85-0
! inchikey: XRJGBYMRUIWAJP-UHFFFAOYSA-N
Hvpx___62198_85_0 =  7.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_85_0 =  8.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_85_0 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,5,5-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-86-1
! inchikey: OSZLORKBJVWZNT-UHFFFAOYSA-N
Hvpx___62198_86_1 =  7.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_86_1 =  8.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_86_1 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,5,6-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-87-2
! inchikey: MHJUEZDXDYXCPA-UHFFFAOYSA-N
Hvpx___62198_87_2 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_87_2 =  8.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_87_2 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,6,6-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-88-3
! inchikey: SLGYOGBODYIQGW-UHFFFAOYSA-N
Hvpx___62198_88_3 =  7.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_88_3 =  9.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_88_3 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,4,5-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-61-5
! inchikey: XRGPEBQZXVFCRE-UHFFFAOYSA-N
Hvpx___62199_61_5 =  8.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_61_5 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_61_5 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,4,6-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-62-6
! inchikey: NOFQKTWPZFUCOO-UHFFFAOYSA-N
Hvpx___62199_62_6 =  7.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_62_6 =  8.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_62_6 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,5,5-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-63-7
! inchikey: JGOKXUSMFJOVQT-UHFFFAOYSA-N
Hvpx___62199_63_7 =  7.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_63_7 =  8.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_63_7 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,5,6-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-64-8
! inchikey: JVESFBBBMJIZLO-UHFFFAOYSA-N
Hvpx___62199_64_8 =  7.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_64_8 =  9.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_64_8 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5,5,6-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-65-9
! inchikey: FMJMMNPKKCFHTH-UHFFFAOYSA-N
Hvpx___62199_65_9 =  7.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_65_9 =  8.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_65_9 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,4,4-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-66-0
! inchikey: VBOBCKMZHQJDQA-UHFFFAOYSA-N
Hvpx___62199_66_0 =  8.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_66_0 =  5.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_66_0 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,4,5-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-67-1
! inchikey: OLZJEASBDLLWCY-UHFFFAOYSA-N
Hvpx___62199_67_1 =  7.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_67_1 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_67_1 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,4,6-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-68-2
! inchikey: YENAHMOHMFYKPC-UHFFFAOYSA-N
Hvpx___62199_68_2 =  7.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_68_2 =  6.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_68_2 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,5,5-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-69-3
! inchikey: DTLBRJVRUQMSQN-UHFFFAOYSA-N
Hvpx___62199_69_3 =  8.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_69_3 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_69_3 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,5,6-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    52670-35-6
! inchikey: SZQDOCSTKXRXAR-UHFFFAOYSA-N
Hvpx___52670_35_6 =  7.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52670_35_6 =  7.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52670_35_6 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,4,5-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-70-6
! inchikey: CHHJLGDSEYTKKE-UHFFFAOYSA-N
Hvpx___62199_70_6 =  7.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_70_6 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_70_6 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,4,6-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-71-7
! inchikey: DHXWMADSONSWTL-UHFFFAOYSA-N
Hvpx___62199_71_7 =  7.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_71_7 =  7.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_71_7 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,5,5-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-72-8
! inchikey: BDFJISGXUJUYCX-UHFFFAOYSA-N
Hvpx___62199_72_8 =  7.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_72_8 =  6.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_72_8 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,5,6-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    27574-98-7
! inchikey: YIKFFSNUOIJPSI-UHFFFAOYSA-N
Hvpx___27574_98_7 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___27574_98_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___27574_98_7 =  6.0E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4,5,5-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-73-9
! inchikey: TXGUYEKSMHZHSB-UHFFFAOYSA-N
Hvpx___62199_73_9 =  8.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_73_9 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_73_9 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4,4,5-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-74-0
! inchikey: YFXNIDIHYOGTEN-UHFFFAOYSA-N
Hvpx___62199_74_0 =  8.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_74_0 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_74_0 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4,5,5-pentamethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-75-1
! inchikey: NZIFKVSORPBQSX-UHFFFAOYSA-N
Hvpx___62199_75_1 =  9.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_75_1 =  4.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_75_1 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3-trimethyl-3-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-04-6
! inchikey: CVXGCQXACVZXQR-UHFFFAOYSA-N
Hvpx___62199_04_6 =  7.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_04_6 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_04_6 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-05-7
! inchikey: COHRBFNOOUABCT-UHFFFAOYSA-N
Hvpx___62199_05_7 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_05_7 =  7.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_05_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3-trimethyl-5-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-06-8
! inchikey: OOIGDPTZPWRGHN-UHFFFAOYSA-N
Hvpx___62199_06_8 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_06_8 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_06_8 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4-trimethyl-3-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-07-9
! inchikey: TYGUUZVWCBYDKW-UHFFFAOYSA-N
Hvpx___62199_07_9 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_07_9 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_07_9 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-08-0
! inchikey: XMUXASPVOBQLPC-UHFFFAOYSA-N
Hvpx___62199_08_0 =  7.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_08_0 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_08_0 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4-trimethyl-5-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-09-1
! inchikey: QADOHJKDWMLCQT-UHFFFAOYSA-N
Hvpx___62199_09_1 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_09_1 =  8.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_09_1 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5-trimethyl-3-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-10-4
! inchikey: SUDWTPMZYLBGKW-UHFFFAOYSA-N
Hvpx___62199_10_4 =  6.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_10_4 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_10_4 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-11-5
! inchikey: GDPLKYYKURLRKJ-UHFFFAOYSA-N
Hvpx___62199_11_5 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_11_5 =  8.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_11_5 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5-trimethyl-5-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-12-6
! inchikey: KJWMMFYTYSUWMH-UHFFFAOYSA-N
Hvpx___62199_12_6 =  7.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_12_6 =  8.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_12_6 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,6-trimethyl-3-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-13-7
! inchikey: RIIDJOQRWGTQEN-UHFFFAOYSA-N
Hvpx___62199_13_7 =  6.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_13_7 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_13_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,6-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-14-8
! inchikey: QGYSVVWKEDKPTP-UHFFFAOYSA-N
Hvpx___62199_14_8 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_14_8 =  1.1E+06                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_14_8 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,6-trimethyl-5-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-15-9
! inchikey: LYZRWXZZVRWJHX-UHFFFAOYSA-N
Hvpx___62199_15_9 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_15_9 =  8.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_15_9 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-16-0
! inchikey: VIIXOXRHJWHIBP-UHFFFAOYSA-N
Hvpx___62199_16_0 =  7.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_16_0 =  6.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_16_0 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3-trimethyl-5-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-17-1
! inchikey: JHGOLBUJAIJLCX-UHFFFAOYSA-N
Hvpx___62199_17_1 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_17_1 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_17_1 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4-trimethyl-3-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-18-2
! inchikey: YZXMDESZKHUODO-UHFFFAOYSA-N
Hvpx___62199_18_2 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_18_2 =  5.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_18_2 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-55-4
! inchikey: QDWZIZQKVLESDK-UHFFFAOYSA-N
Hvpx___62198_55_4 =  7.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_55_4 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_55_4 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4-trimethyl-5-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-56-5
! inchikey: URFFXJPJMCMXFR-UHFFFAOYSA-N
Hvpx___62198_56_5 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_56_5 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_56_5 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5-trimethyl-3-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-57-6
! inchikey: QHACFORXSGHTJG-UHFFFAOYSA-N
Hvpx___62198_57_6 =  7.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_57_6 =  6.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_57_6 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-58-7
! inchikey: UEZAASCWBAVHRO-UHFFFAOYSA-N
Hvpx___62198_58_7 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_58_7 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_58_7 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5-trimethyl-5-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-59-8
! inchikey: LTSLSBVPXXAMBM-UHFFFAOYSA-N
Hvpx___62198_59_8 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_59_8 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_59_8 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,6-trimethyl-3-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-60-1
! inchikey: KOVQAKVRXODFNL-UHFFFAOYSA-N
Hvpx___62198_60_1 =  7.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_60_1 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_60_1 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,6-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-61-2
! inchikey: RBVKVRIWSQSXPO-UHFFFAOYSA-N
Hvpx___62198_61_2 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_61_2 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_61_2 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,6-trimethyl-5-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-62-3
! inchikey: JXCQTSFHNKTOLJ-UHFFFAOYSA-N
Hvpx___62198_62_3 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_62_3 =  7.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_62_3 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4-trimethyl-3-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-63-4
! inchikey: BNFUBMCCIACHFX-UHFFFAOYSA-N
Hvpx___62198_63_4 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_63_4 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_63_4 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4-trimethyl-5-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-64-5
! inchikey: YSCJXRHNKUXHLH-UHFFFAOYSA-N
Hvpx___62198_64_5 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_64_5 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_64_5 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,5-trimethyl-3-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-65-6
! inchikey: JFKSTTDMBQAPCT-UHFFFAOYSA-N
Hvpx___62198_65_6 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_65_6 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_65_6 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,5-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-66-7
! inchikey: HSVLOEWHJNAWLC-UHFFFAOYSA-N
Hvpx___62198_66_7 =  7.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_66_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_66_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,5-trimethyl-5-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-67-8
! inchikey: JAUBFUIZENVVAG-UHFFFAOYSA-N
Hvpx___62198_67_8 =  7.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_67_8 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_67_8 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,6-trimethyl-3-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-68-9
! inchikey: KQBJYFJWQOUHCI-UHFFFAOYSA-N
Hvpx___62198_68_9 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_68_9 =  7.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_68_9 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,6-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-69-0
! inchikey: LPNPQCHEMXFBSW-UHFFFAOYSA-N
Hvpx___62198_69_0 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_69_0 =  9.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_69_0 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5,5-trimethyl-3-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-70-3
! inchikey: MARFNXCIPCRAJU-UHFFFAOYSA-N
Hvpx___62198_70_3 =  6.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_70_3 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_70_3 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5,5-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-71-4
! inchikey: HGYOEMXZYDBOKQ-UHFFFAOYSA-N
Hvpx___62198_71_4 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_71_4 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_71_4 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-72-5
! inchikey: QLOXTBGCIUOWIG-UHFFFAOYSA-N
Hvpx___62198_72_5 =  8.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_72_5 =  5.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_72_5 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4-trimethyl-5-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-73-6
! inchikey: CUWOOQVXUDOHOC-UHFFFAOYSA-N
Hvpx___62198_73_6 =  7.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_73_6 =  6.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_73_6 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,5-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-74-7
! inchikey: QXCHZKHHIUTBOU-UHFFFAOYSA-N
Hvpx___62198_74_7 =  7.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_74_7 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_74_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,5-trimethyl-5-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-75-8
! inchikey: GCWLDOMARVHVOZ-UHFFFAOYSA-N
Hvpx___62198_75_8 =  8.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_75_8 =  5.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_75_8 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4-trimethyl-3-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-76-9
! inchikey: SIIFYRMARKBLER-UHFFFAOYSA-N
Hvpx___62198_76_9 =  8.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_76_9 =  5.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_76_9 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4-trimethyl-5-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-77-0
! inchikey: XSLWCLUAFIVTLD-UHFFFAOYSA-N
Hvpx___62198_77_0 =  7.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_77_0 =  5.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_77_0 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,5-trimethyl-3-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-78-1
! inchikey: ZHILUIHUWKDTTM-UHFFFAOYSA-N
Hvpx___62198_78_1 =  7.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_78_1 =  5.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_78_1 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4,5-trimethyl-4-ethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-79-2
! inchikey: SZOKDASFURUJDF-UHFFFAOYSA-N
Hvpx___62198_79_2 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_79_2 =  5.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_79_2 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-4-propylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    UNKNOWN
! inchikey: DWEXNJRCPKKJBQ-UHFFFAOYSA-N
Hvpx_DWEXNJRCPKKJBQ_UHFFFAOYSA_N =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_DWEXNJRCPKKJBQ_UHFFFAOYSA_N =  9.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_DWEXNJRCPKKJBQ_UHFFFAOYSA_N =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-4-propylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-30-2
! inchikey: AZUDVOIXPNEOLR-UHFFFAOYSA-N
Hvpx___62185_30_2 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_30_2 =  7.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_30_2 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-4-propylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-31-3
! inchikey: FDVJFPZZPSPQAO-UHFFFAOYSA-N
Hvpx___62185_31_3 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_31_3 =  8.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_31_3 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-4-propylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-32-4
! inchikey: PJXVVWKRCASATD-UHFFFAOYSA-N
Hvpx___62185_32_4 =  5.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_32_4 =  8.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_32_4 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyl-4-propylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-33-5
! inchikey: UFJZYHSURMZROL-UHFFFAOYSA-N
Hvpx___62185_33_5 =  5.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_33_5 =  9.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_33_5 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-4-propylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-34-6
! inchikey: XVWBLUKOUJTCDO-UHFFFAOYSA-N
Hvpx___62185_34_6 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_34_6 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_34_6 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-4-propylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-35-7
! inchikey: UGSAJWKYCFFZRD-UHFFFAOYSA-N
Hvpx___62185_35_7 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_35_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_35_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyl-4-propylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-36-8
! inchikey: GKVRDSIZILZQJE-UHFFFAOYSA-N
Hvpx___62185_36_8 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_36_8 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_36_8 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-3-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-37-9
! inchikey: XPOSVKCTMHOWTN-UHFFFAOYSA-N
Hvpx___62185_37_9 =  6.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_37_9 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_37_9 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-4-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-38-0
! inchikey: HFRVMJCEWUXCMP-UHFFFAOYSA-N
Hvpx___62185_38_0 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_38_0 =  9.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_38_0 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-3-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-39-1
! inchikey: IAWDNHPMOJTEEN-UHFFFAOYSA-N
Hvpx___62185_39_1 =  7.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_39_1 =  5.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_39_1 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-4-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-40-4
! inchikey: GEQDAUMUCVOARW-UHFFFAOYSA-N
Hvpx___62185_40_4 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_40_4 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_40_4 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-3-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-41-5
! inchikey: MWVRZCOXSIAHLW-UHFFFAOYSA-N
Hvpx___62185_41_5 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_41_5 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_41_5 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-4-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-42-6
! inchikey: MTPOSRQPOBWFQC-UHFFFAOYSA-N
Hvpx___62185_42_6 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_42_6 =  7.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_42_6 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-3-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-43-7
! inchikey: XSKMFUBSJXETFW-UHFFFAOYSA-N
Hvpx___62185_43_7 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_43_7 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_43_7 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-4-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-44-8
! inchikey: OOYWQZAQFKOCKA-UHFFFAOYSA-N
Hvpx___62185_44_8 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_44_8 =  8.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_44_8 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyl-3-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-45-9
! inchikey: NOAGKIODSFDOTA-UHFFFAOYSA-N
Hvpx___62185_45_9 =  6.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_45_9 =  7.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_45_9 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyl-4-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    35866-89-8
! inchikey: BIBHNAJLMRUJLS-UHFFFAOYSA-N
Hvpx___35866_89_8 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___35866_89_8 =  9.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___35866_89_8 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-4-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-46-0
! inchikey: MACIOLXBYDNTTI-UHFFFAOYSA-N
Hvpx___62185_46_0 =  6.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_46_0 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_46_0 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-4-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-47-1
! inchikey: QFKXRROMVRXZIF-UHFFFAOYSA-N
Hvpx___62185_47_1 =  7.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_47_1 =  5.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_47_1 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyl-4-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-89-4
! inchikey: XJRRTENBDSNHQB-UHFFFAOYSA-N
Hvpx___62198_89_4 =  6.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_89_4 =  7.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_89_4 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3,3-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-90-7
! inchikey: VBKOVPDJLQIMSZ-UHFFFAOYSA-N
Hvpx___62198_90_7 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_90_7 =  5.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_90_7 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3,4-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-91-8
! inchikey: PRSHREOBBOOUSO-UHFFFAOYSA-N
Hvpx___62198_91_8 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_91_8 =  6.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_91_8 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3,5-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-92-9
! inchikey: KZTGLPPJUZINLQ-UHFFFAOYSA-N
Hvpx___62198_92_9 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_92_9 =  6.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_92_9 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4,4-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-93-0
! inchikey: VJTVFYMTOXDIID-UHFFFAOYSA-N
Hvpx___62198_93_0 =  6.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_93_0 =  7.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_93_0 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4,5-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-94-1
! inchikey: SRLQJPCYGKMUSM-UHFFFAOYSA-N
Hvpx___62198_94_1 =  5.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_94_1 =  7.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_94_1 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-5,5-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-95-2
! inchikey: XPAWKGLXSPHNAN-UHFFFAOYSA-N
Hvpx___62198_95_2 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_95_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_95_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-3,4-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-96-3
! inchikey: VRVVWJIPKQWWJB-UHFFFAOYSA-N
Hvpx___62198_96_3 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_96_3 =  5.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_96_3 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-3,5-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-97-4
! inchikey: RGRSPNWZJFXFAN-UHFFFAOYSA-N
Hvpx___62198_97_4 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_97_4 =  6.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_97_4 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-4,4-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-98-5
! inchikey: WSBKWCXGZHVUHW-UHFFFAOYSA-N
Hvpx___62198_98_5 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_98_5 =  5.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_98_5 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-4,5-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62198-99-6
! inchikey: NVBVLQDXCRDBBU-UHFFFAOYSA-N
Hvpx___62198_99_6 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62198_99_6 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62198_99_6 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-5,5-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-00-2
! inchikey: JOJSCBROPYJHJX-UHFFFAOYSA-N
Hvpx___62199_00_2 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_00_2 =  6.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_00_2 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-3,3-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-01-3
! inchikey: KGSWPEXUAXYDMO-UHFFFAOYSA-N
Hvpx___62199_01_3 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_01_3 =  5.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_01_3 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-3,4-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-02-4
! inchikey: RAFABRWSQNCWEY-UHFFFAOYSA-N
Hvpx___62199_02_4 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_02_4 =  5.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_02_4 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-3,5-diethylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-03-5
! inchikey: XUVBJZPYCGZQDK-UHFFFAOYSA-N
Hvpx___62199_03_5 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_03_5 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_03_5 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4-{\it tert}-butylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-23-3
! inchikey: HIHQJZLWJQHTEJ-UHFFFAOYSA-N
Hvpx___62185_23_3 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_23_3 =  9.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_23_3 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-4-{\it tert}-butylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-24-4
! inchikey: IKKVFRPBQQTTKP-UHFFFAOYSA-N
Hvpx___62185_24_4 =  6.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_24_4 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_24_4 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-4-{\it tert}-butylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-25-5
! inchikey: JABLMQZBFVBNBS-UHFFFAOYSA-N
Hvpx___62185_25_5 =  7.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_25_5 =  6.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_25_5 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-4-propylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-26-6
! inchikey: FPODIYZXVCXXQE-UHFFFAOYSA-N
Hvpx___62185_26_6 =  5.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_26_6 =  6.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_26_6 =  5.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-ethyl-4-propylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    17312-43-5
! inchikey: JTZJHTZCYBYCSZ-UHFFFAOYSA-N
Hvpx___17312_43_5 =  5.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_43_5 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_43_5 =  5.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-4-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-27-7
! inchikey: VENQCMDSFBOTMS-UHFFFAOYSA-N
Hvpx___62185_27_7 =  5.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_27_7 =  6.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_27_7 =  5.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  4-ethyl-4-isopropylheptane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-28-8
! inchikey: IKRHMKIYGHBTGZ-UHFFFAOYSA-N
Hvpx___62185_28_8 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_28_8 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_28_8 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,3,4,4-hexamethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-11-9
! inchikey: ACZDZCRQHVWGEF-UHFFFAOYSA-N
Hvpx___62185_11_9 =  1.1E+06                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_11_9 =  3.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_11_9 =  8.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,3,4,5-hexamethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-12-0
! inchikey: IFHVEHXJQMYGHH-UHFFFAOYSA-N
Hvpx___62185_12_0 =  9.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_12_0 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_12_0 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,3,5,5-hexamethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    60302-24-1
! inchikey: YFGLJPQISFJQSO-UHFFFAOYSA-N
Hvpx___60302_24_1 =  1.0E+06                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60302_24_1 =  6.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___60302_24_1 =  8.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4,4,5-hexamethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-13-1
! inchikey: QJVUKMHIEDVCDT-UHFFFAOYSA-N
Hvpx___62185_13_1 =  9.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_13_1 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_13_1 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4,5,5-hexamethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-14-2
! inchikey: NXZMBOYMQLHOPD-UHFFFAOYSA-N
Hvpx___62185_14_2 =  8.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_14_2 =  7.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_14_2 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,4,4,5-hexamethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    52670-36-7
! inchikey: GRVNDHRZJGSRDC-UHFFFAOYSA-N
Hvpx___52670_36_7 =  9.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52670_36_7 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___52670_36_7 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,3-tetramethyl-4-ethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-98-9
! inchikey: CRTTYRRLFPCOTC-UHFFFAOYSA-N
Hvpx___62184_98_9 =  8.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_98_9 =  5.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_98_9 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4-tetramethyl-3-ethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-99-0
! inchikey: SYWRGACXWPDDMM-UHFFFAOYSA-N
Hvpx___62184_99_0 =  8.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_99_0 =  5.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_99_0 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4-tetramethyl-4-ethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-00-6
! inchikey: WVLMCSYUMSZJQJ-UHFFFAOYSA-N
Hvpx___62185_00_6 =  9.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_00_6 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_00_6 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,5-tetramethyl-3-ethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-01-7
! inchikey: CHURHVBNTYCJDL-UHFFFAOYSA-N
Hvpx___62185_01_7 =  8.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_01_7 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_01_7 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,5-tetramethyl-4-ethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-02-8
! inchikey: GYAMSLKQDQYJGT-UHFFFAOYSA-N
Hvpx___62185_02_8 =  7.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_02_8 =  7.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_02_8 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,4-tetramethyl-3-ethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-03-9
! inchikey: HWHADLCAKCOTRI-UHFFFAOYSA-N
Hvpx___62185_03_9 =  8.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_03_9 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_03_9 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,5-tetramethyl-3-ethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-04-0
! inchikey: KZHIDSBQFJFWDV-UHFFFAOYSA-N
Hvpx___62185_04_0 =  7.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_04_0 =  7.8E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_04_0 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,5-tetramethyl-4-ethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-05-1
! inchikey: HAVVVIZEMKFOFL-UHFFFAOYSA-N
Hvpx___62185_05_1 =  8.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_05_1 =  6.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_05_1 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5,5-tetramethyl-3-ethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-06-2
! inchikey: GJJUHGLRQQDIFN-UHFFFAOYSA-N
Hvpx___62185_06_2 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_06_2 =  1.0E+06                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_06_2 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,4-tetramethyl-4-ethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-07-3
! inchikey: YVKQGHGRZXUTNK-UHFFFAOYSA-N
Hvpx___62185_07_3 =  9.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_07_3 =  4.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_07_3 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,5-tetramethyl-4-ethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-08-4
! inchikey: AMMSTTMNZHWREI-UHFFFAOYSA-N
Hvpx___62185_08_4 =  7.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_08_4 =  6.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_08_4 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,4-tetramethyl-3-ethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-09-5
! inchikey: VYCKEOSFJUAFGK-UHFFFAOYSA-N
Hvpx___62185_09_5 =  9.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_09_5 =  4.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_09_5 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,5-tetramethyl-3-ethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-10-8
! inchikey: IBPLCPRMAQRHHK-UHFFFAOYSA-N
Hvpx___62185_10_8 =  7.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_10_8 =  5.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_10_8 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3-trimethyl-3-isopropylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-79-5
! inchikey: UTCSLOLKGOKPGW-UHFFFAOYSA-N
Hvpx___62199_79_5 =  8.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_79_5 =  5.7E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_79_5 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4-trimethyl-3-isopropylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-80-8
! inchikey: VEMACPZMOMAUAN-UHFFFAOYSA-N
Hvpx___62199_80_8 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_80_8 =  8.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_80_8 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5-trimethyl-3-isopropylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-81-9
! inchikey: GZFAXOCUKPGWEA-UHFFFAOYSA-N
Hvpx___62199_81_9 =  6.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_81_9 =  1.0E+06                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_81_9 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5-trimethyl-4-isopropylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-82-0
! inchikey: QFLYTOVYLBZBJC-UHFFFAOYSA-N
Hvpx___62199_82_0 =  6.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_82_0 =  1.0E+06                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_82_0 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4-trimethyl-3-isopropylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-83-1
! inchikey: SXELEUFFBZGXIC-UHFFFAOYSA-N
Hvpx___62199_83_1 =  8.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_83_1 =  5.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_83_1 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5-trimethyl-3-isopropylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-84-2
! inchikey: GUMUKRVQSSIBJO-UHFFFAOYSA-N
Hvpx___62199_84_2 =  7.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_84_2 =  7.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_84_2 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5-trimethyl-4-isopropylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-85-3
! inchikey: VBRDSJSWPGXVIR-UHFFFAOYSA-N
Hvpx___62199_85_3 =  6.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_85_3 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_85_3 =  6.0E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4-trimethyl-3-isopropylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-86-4
! inchikey: UGPHXQWIHGYHOH-UHFFFAOYSA-N
Hvpx___62199_86_4 =  7.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_86_4 =  7.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_86_4 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-3,4-diethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-89-7
! inchikey: ZAKPEOVUOZWBNO-UHFFFAOYSA-N
Hvpx___62199_89_7 =  6.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_89_7 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_89_7 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-4,4-diethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-89-8
! inchikey: CYPRMBGQWCLJBN-UHFFFAOYSA-N
Hvpx___62184_89_8 =  7.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_89_8 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_89_8 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-3,4-diethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-90-1
! inchikey: BUUBMKJJLVCTKU-UHFFFAOYSA-N
Hvpx___62184_90_1 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_90_1 =  5.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_90_1 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-4,4-diethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-91-2
! inchikey: YNHBDJNMYMZVLM-UHFFFAOYSA-N
Hvpx___62184_91_2 =  7.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_91_2 =  5.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_91_2 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-3,3-diethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-92-3
! inchikey: OXAROVXPKXMTIV-UHFFFAOYSA-N
Hvpx___62184_92_3 =  7.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_92_3 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_92_3 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-3,4-diethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-93-4
! inchikey: AUVJTUXGNKLTIN-UHFFFAOYSA-N
Hvpx___62184_93_4 =  7.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_93_4 =  5.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_93_4 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-3,3-diethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-94-5
! inchikey: XHDPVTDRZGCNFV-UHFFFAOYSA-N
Hvpx___62184_94_5 =  6.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_94_5 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_94_5 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-3,4-diethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-95-6
! inchikey: WCPAKUFSQFCWTQ-UHFFFAOYSA-N
Hvpx___62184_95_6 =  6.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_95_6 =  7.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_95_6 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-4,4-diethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-96-7
! inchikey: XFUAJHJJXMVZCQ-UHFFFAOYSA-N
Hvpx___62184_96_7 =  8.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_96_7 =  4.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_96_7 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-3,4-diethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62184-97-8
! inchikey: NTQKWVJMJSYRDX-UHFFFAOYSA-N
Hvpx___62184_97_8 =  8.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62184_97_8 =  4.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62184_97_8 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-3-{\it tert}-butylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-76-2
! inchikey: VZAYJUSYQVNGBC-UHFFFAOYSA-N
Hvpx___62199_76_2 =  8.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_76_2 =  6.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_76_2 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3-ethyl-3-isopropylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-77-3
! inchikey: TXYYDQJNRQJTOW-UHFFFAOYSA-N
Hvpx___62199_77_3 =  6.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_77_3 =  6.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_77_3 =  6.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4-ethyl-3-isopropylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-78-4
! inchikey: JXHSGKIMXDNKIS-UHFFFAOYSA-N
Hvpx___62199_78_4 =  5.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_78_4 =  8.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_78_4 =  6.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4-triethylhexane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62199-87-5
! inchikey: YGNQREHYYJPYLX-UHFFFAOYSA-N
Hvpx___62199_87_5 =  6.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62199_87_5 =  5.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62199_87_5 =  6.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4,4-pentamethyl-3-ethylpentane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    66576-21-4
! inchikey: IZNAUALMSCRPBS-UHFFFAOYSA-N
Hvpx___66576_21_4 =  1.1E+06                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66576_21_4 =  3.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___66576_21_4 =  8.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3,4-tetramethyl-3-isopropylpentane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-17-5
! inchikey: OKGFCJOAXUYCBG-UHFFFAOYSA-N
Hvpx___62185_17_5 =  9.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_17_5 =  5.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_17_5 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,4-tetramethyl-3-isopropylpentane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-18-6
! inchikey: BYIFHEDQKBAFSW-UHFFFAOYSA-N
Hvpx___62185_18_6 =  9.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_18_6 =  6.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_18_6 =  7.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4-trimethyl-3,3-diethylpentane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-15-3
! inchikey: GIKXQMPMOJVRDN-UHFFFAOYSA-N
Hvpx___62185_15_3 =  8.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_15_3 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_15_3 =  7.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-3-ethyl-3-isopropylpentane
! formula:  C_{12}H_{26}
! trivial:  
! casrn:    62185-16-4
! inchikey: ASDDXPPGGPFNIL-UHFFFAOYSA-N
Hvpx___62185_16_4 =  8.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62185_16_4 =  4.9E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62185_16_4 =  6.9E+05                                  ! [atm] type: Q, ref: 3579

! species:  tridecane
! formula:  C_{13}H_{28}
! trivial:  
! casrn:    629-50-5
! inchikey: IIYFAKIEWZDVMP-UHFFFAOYSA-N
Hvpx_____629_50_5 =  1.6E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____629_50_5 =  3.8E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____629_50_5 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____629_50_5 =  9.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____629_50_5 =  2.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____629_50_5 =  6.9E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____629_50_5 =  3.8E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____629_50_5 =  1.3E+05                                  ! [atm] type: ?, ref: 789

! species:  2-methyldodecane
! formula:  C_{13}H_{28}
! trivial:  
! casrn:    1560-97-0
! inchikey: HGEMCUOAMCILCP-UHFFFAOYSA-N
Hvpx____1560_97_0 =  3.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1560_97_0 =  1.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1560_97_0 =  3.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyldodecane
! formula:  C_{13}H_{28}
! trivial:  
! casrn:    17312-57-1
! inchikey: GRJUENNHVNYCHD-UHFFFAOYSA-N
Hvpx___17312_57_1 =  3.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_57_1 =  1.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_57_1 =  3.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethylundecane
! formula:  C_{13}H_{28}
! trivial:  
! casrn:    17312-64-0
! inchikey: QDKSGHXRHXVMPF-UHFFFAOYSA-N
Hvpx___17312_64_0 =  5.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_64_0 =  1.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_64_0 =  4.4E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethylundecane
! formula:  C_{13}H_{28}
! trivial:  
! casrn:    17312-77-5
! inchikey: QSSUTSOGIQHRIU-UHFFFAOYSA-N
Hvpx___17312_77_5 =  4.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_77_5 =  1.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_77_5 =  4.5E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethylundecane
! formula:  C_{13}H_{28}
! trivial:  
! casrn:    17312-80-0
! inchikey: WMZNFELFMFOGCC-UHFFFAOYSA-N
Hvpx___17312_80_0 =  4.7E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17312_80_0 =  2.6E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___17312_80_0 =  4.5E+05                                  ! [atm] type: Q, ref: 3579

! species:  tetradecane
! formula:  C_{14}H_{30}
! trivial:  
! casrn:    629-59-4
! inchikey: BGHCVCJVXZWKCC-UHFFFAOYSA-N
Hvpx_____629_59_4 =  5.8E+05                                  ! [atm] type: L, ref: 3673
Hvpx_____629_59_4 =  5.1E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____629_59_4 =  5.1E+05                                  ! [atm] type: V, ref: 3088
Hvpx_____629_59_4 =  2.1E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____629_59_4 =  7.4E+04                                  ! [atm] type: V, ref: 1497
Hvpx_____629_59_4 =  7.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____629_59_4 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____629_59_4 =  8.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____629_59_4 =  1.5E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____629_59_4 =  9.8E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____629_59_4 =  1.9E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____629_59_4 =  2.5E+05                                  ! [atm] type: Q, ref: 3731
Hvpx_____629_59_4 =  7.6E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____629_59_4 =  6.3E+04                                  ! [atm] type: ?, ref: 789

! species:  2-methyltridecane
! formula:  C_{14}H_{30}
! trivial:  
! casrn:    1560-96-9
! inchikey: CJBFZKZYIPBBTO-UHFFFAOYSA-N
Hvpx____1560_96_9 =  2.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1560_96_9 =  1.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____1560_96_9 =  2.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyltridecane
! formula:  C_{14}H_{30}
! trivial:  
! casrn:    6418-41-3
! inchikey: NLHRRMKILFRDGV-UHFFFAOYSA-N
Hvpx____6418_41_3 =  2.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6418_41_3 =  1.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____6418_41_3 =  2.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyldodecane
! formula:  C_{14}H_{30}
! trivial:  
! casrn:    49598-54-1
! inchikey: ATWISEHEXAEGKB-UHFFFAOYSA-N
Hvpx___49598_54_1 =  3.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___49598_54_1 =  1.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___49598_54_1 =  3.0E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyldodecane
! formula:  C_{14}H_{30}
! trivial:  
! casrn:    6117-98-2
! inchikey: QBIXLGJCVGNDBJ-UHFFFAOYSA-N
Hvpx____6117_98_2 =  2.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6117_98_2 =  1.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____6117_98_2 =  3.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyldodecane
! formula:  C_{14}H_{30}
! trivial:  
! casrn:    6117-99-3
! inchikey: AFELDWXNIFIYOC-UHFFFAOYSA-N
Hvpx____6117_99_3 =  3.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6117_99_3 =  1.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____6117_99_3 =  3.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  pentadecane
! formula:  C_{15}H_{32}
! trivial:  
! casrn:    629-62-9
! inchikey: YCOZIPAWZNQLMR-UHFFFAOYSA-N
Hvpx_____629_62_9 =  7.0E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____629_62_9 =  7.2E+05                                  ! [atm] type: V, ref: 3088
Hvpx_____629_62_9 =  5.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____629_62_9 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____629_62_9 =  7.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____629_62_9 =  6.9E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____629_62_9 =  1.4E+06                                  ! [atm] type: Q, ref: 2521
Hvpx_____629_62_9 =  5.0E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____629_62_9 =  2.7E+04                                  ! [atm] type: ?, ref: 789

! species:  2-methyltetradecane
! formula:  C_{15}H_{32}
! trivial:  
! casrn:    1560-95-8
! inchikey: KUVMKLCGXIYSNH-UHFFFAOYSA-N
Hvpx____1560_95_8 =  1.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1560_95_8 =  9.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1560_95_8 =  1.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  3-methyltetradecane
! formula:  C_{15}H_{32}
! trivial:  
! casrn:    18435-22-8
! inchikey: HXUYUZCPGPKNGS-UHFFFAOYSA-N
Hvpx___18435_22_8 =  1.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18435_22_8 =  9.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___18435_22_8 =  1.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyltridecane
! formula:  C_{15}H_{32}
! trivial:  
! casrn:    61869-04-3
! inchikey: NVEUWWMNWPNXOC-UHFFFAOYSA-N
Hvpx___61869_04_3 =  1.9E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61869_04_3 =  1.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61869_04_3 =  1.6E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyltridecane
! formula:  C_{15}H_{32}
! trivial:  
! casrn:    18435-20-6
! inchikey: SWUJSLXRUPXTQB-UHFFFAOYSA-N
Hvpx___18435_20_6 =  1.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18435_20_6 =  9.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___18435_20_6 =  1.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyltridecane
! formula:  C_{15}H_{32}
! trivial:  
! casrn:    61868-05-1
! inchikey: JDFJCABQSZLDMZ-UHFFFAOYSA-N
Hvpx___61868_05_1 =  2.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_05_1 =  1.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_05_1 =  1.8E+05                                  ! [atm] type: Q, ref: 3579

! species:  hexadecane
! formula:  C_{16}H_{34}
! trivial:  
! casrn:    544-76-3
! inchikey: DCAYPVUWAIABOU-UHFFFAOYSA-N
Hvpx_____544_76_3 =  2.6E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____544_76_3 =  2.1E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____544_76_3 =  2.0E+04                                  ! [atm] type: V, ref: 1497
Hvpx_____544_76_3 =  2.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____544_76_3 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____544_76_3 =  7.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____544_76_3 =  2.5E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____544_76_3 =  1.9E+06                                  ! [atm] type: Q, ref: 2521
Hvpx_____544_76_3 =  2.6E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____544_76_3 =  1.3E+04                                  ! [atm] type: ?, ref: 789

! species:  2-methylpentadecane
! formula:  C_{16}H_{34}
! trivial:  
! casrn:    1560-93-6
! inchikey: BANXPJUEBPWEOT-UHFFFAOYSA-N
Hvpx____1560_93_6 =  4.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1560_93_6 =  9.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1560_93_6 =  4.6E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methylpentadecane
! formula:  C_{16}H_{34}
! trivial:  
! casrn:    2882-96-4
! inchikey: FWXKCXJPHSAYMK-UHFFFAOYSA-N
Hvpx____2882_96_4 =  4.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2882_96_4 =  9.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2882_96_4 =  4.6E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyltetradecane
! formula:  C_{16}H_{34}
! trivial:  
! casrn:    59222-86-5
! inchikey: VCAMXEBNASZVEZ-UHFFFAOYSA-N
Hvpx___59222_86_5 =  8.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___59222_86_5 =  1.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___59222_86_5 =  6.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyltetradecane
! formula:  C_{16}H_{34}
! trivial:  
! casrn:    18435-23-9
! inchikey: ZQRVEWIJXCRTFW-UHFFFAOYSA-N
Hvpx___18435_23_9 =  5.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18435_23_9 =  9.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___18435_23_9 =  7.8E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyltetradecane
! formula:  C_{16}H_{34}
! trivial:  
! casrn:    61868-06-2
! inchikey: NWTLFDYNCLTSAR-UHFFFAOYSA-N
Hvpx___61868_06_2 =  1.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_06_2 =  1.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_06_2 =  7.8E+04                                  ! [atm] type: Q, ref: 3579

! species:  heptadecane
! formula:  C_{17}H_{36}
! trivial:  
! casrn:    629-78-7
! inchikey: NDJKXXJCMXVBJW-UHFFFAOYSA-N
Hvpx_____629_78_7 =  2.5E+06                                  ! [atm] type: Q, ref: 2521
Hvpx_____629_78_7 =  2.7E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____629_78_7 =  3.0E+03                                  ! [atm] type: ?, ref: 789

! species:  octadecane
! formula:  C_{18}H_{38}
! trivial:  
! casrn:    593-45-3
! inchikey: RZJRJXONCZWCBN-UHFFFAOYSA-N
Hvpx_____593_45_3 =  3.4E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____593_45_3 =  7.0E+02                                  ! [atm] type: V, ref: 1497
Hvpx_____593_45_3 =  3.7E+06                                  ! [atm] type: Q, ref: 2521
Hvpx_____593_45_3 =  8.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____593_45_3 =  1.5E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____593_45_3 =  4.9E+02                                  ! [atm] type: ?, ref: 789

! species:  nonadecane
! formula:  C_{19}H_{40}
! trivial:  
! casrn:    629-92-5
! inchikey: LQERIDTXQFOHKA-UHFFFAOYSA-N
Hvpx_____629_92_5 =  4.2E+06                                  ! [atm] type: Q, ref: 2521
Hvpx_____629_92_5 =  5.9E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____629_92_5 =  1.6E+02                                  ! [atm] type: ?, ref: 789

! species:  eicosane
! formula:  C_{20}H_{42}
! trivial:  
! casrn:    112-95-8
! inchikey: CBFCDTFDPHXCNY-UHFFFAOYSA-N
Hvpx_____112_95_8 =  1.1E+05                                  ! [atm] type: V, ref: 2478
Hvpx_____112_95_8 =  4.0E+01                                  ! [atm] type: V, ref: 1497
Hvpx_____112_95_8 =  5.6E+06                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_95_8 =  2.4E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____112_95_8 =  1.8E+01                                  ! [atm] type: ?, ref: 789

! species:  heneicosane
! formula:  C_{21}H_{44}
! trivial:  
! casrn:    629-94-7
! inchikey: FNAZRRHPUDJQCJ-UHFFFAOYSA-N
Hvpx_____629_94_7 =  7.4E+06                                  ! [atm] type: Q, ref: 2521

! species:  docosane
! formula:  C_{22}H_{46}
! trivial:  
! casrn:    629-97-0
! inchikey: HOWGUJZVBDQJKV-UHFFFAOYSA-N
Hvpx_____629_97_0 =  1.0E+07                                  ! [atm] type: Q, ref: 2521

! species:  tricosane
! formula:  C_{23}H_{48}
! trivial:  
! casrn:    638-67-5
! inchikey: FIGVVZUWCLSUEI-UHFFFAOYSA-N
Hvpx_____638_67_5 =  1.3E+07                                  ! [atm] type: Q, ref: 2521

! species:  tetracosane
! formula:  C_{24}H_{50}
! trivial:  
! casrn:    646-31-1
! inchikey: POOSGDOYLQNASK-UHFFFAOYSA-N
Hvpx_____646_31_1 =  1.7E+07                                  ! [atm] type: Q, ref: 2521

! species:  pentacosane
! formula:  C_{25}H_{52}
! trivial:  
! casrn:    629-99-2
! inchikey: YKNWIILGEFFOPE-UHFFFAOYSA-N
Hvpx_____629_99_2 =  3.7E+07                                  ! [atm] type: Q, ref: 2521

! species:  hexacosane
! formula:  C_{26}H_{54}
! trivial:  
! casrn:    630-01-3
! inchikey: HMSWAIKSFDFLKN-UHFFFAOYSA-N
Hvpx_____630_01_3 =  1.1E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____630_01_3 =  4.1E-03                                  ! [atm] type: V, ref: 1497
Hvpx_____630_01_3 =  5.1E+07                                  ! [atm] type: Q, ref: 2521

! species:  heptacosane
! formula:  C_{27}H_{56}
! trivial:  
! casrn:    593-49-7
! inchikey: BJQWYEJQWHSSCJ-UHFFFAOYSA-N
Hvpx_____593_49_7 =  7.1E+07                                  ! [atm] type: Q, ref: 2521

! species:  octacosane
! formula:  C_{28}H_{58}
! trivial:  
! casrn:    630-02-4
! inchikey: ZYURHZPYMFLWSH-UHFFFAOYSA-N
Hvpx_____630_02_4 =  9.8E+07                                  ! [atm] type: Q, ref: 2521

! species:  nonacosane
! formula:  C_{29}H_{60}
! trivial:  
! casrn:    630-03-5
! inchikey: IGGUPRCHHJZPBS-UHFFFAOYSA-N
Hvpx_____630_03_5 =  1.4E+08                                  ! [atm] type: Q, ref: 2521

! species:  triacontane
! formula:  C_{30}H_{62}
! trivial:  
! casrn:    638-68-6
! inchikey: JXTPJDDICSTXJX-UHFFFAOYSA-N
Hvpx_____638_68_6 =  1.9E+08                                  ! [atm] type: Q, ref: 2521

! species:  dotriacontane
! formula:  C_{32}H_{66}
! trivial:  
! casrn:    544-85-4
! inchikey: QHMGJGNTMQDRQA-UHFFFAOYSA-N
Hvpx_____544_85_4 =  3.6E+08                                  ! [atm] type: Q, ref: 2521

! species:  pentatriacontane
! formula:  C_{35}H_{72}
! trivial:  
! casrn:    630-07-9
! inchikey: VHQQPFLOGSTQPC-UHFFFAOYSA-N
Hvpx_____630_07_9 =  9.4E+08                                  ! [atm] type: Q, ref: 2521

! species:  hexatriacontane
! formula:  C_{36}H_{74}
! trivial:  
! casrn:    630-06-8
! inchikey: YDLYQMBWCWFRAI-UHFFFAOYSA-N
Hvpx_____630_06_8 =  6.3E-10                                  ! [atm] type: V, ref: 1497

! species:  octatriacontane
! formula:  C_{38}H_{78}
! trivial:  
! casrn:    7194-85-6
! inchikey: BVKCQBBZBGYNOP-UHFFFAOYSA-N
Hvpx____7194_85_6 =  2.5E+09                                  ! [atm] type: Q, ref: 2521

! species:  cyclopropane
! formula:  C_3H_6
! trivial:  
! casrn:    75-19-4
! inchikey: LVZWSLJZHVFIQJ-UHFFFAOYSA-N
Hvpx______75_19_4 =  4.6E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______75_19_4 =  4.8E+03 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______75_19_4 =  6.7E+03                                  ! [atm] type: L, ref: 2441
Hvpx______75_19_4 =  5.0E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx______75_19_4 =  7.0E+03                                  ! [atm] type: M, ref: 2924
Hvpx______75_19_4 =  5.1E+03 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3710
Hvpx______75_19_4 =  4.4E+04                                  ! [atm] type: V, ref: 3586
Hvpx______75_19_4 =  4.4E+04                                  ! [atm] type: V, ref: 3088
Hvpx______75_19_4 =  4.2E+03                                  ! [atm] type: V, ref: 2550
Hvpx______75_19_4 =  4.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_19_4 =  4.9E+03                                  ! [atm] type: Q, ref: 3728
Hvpx______75_19_4 =  1.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______75_19_4 =  2.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx______75_19_4 =  8.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_19_4 =  3.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_19_4 =  5.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_19_4 =  4.5E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______75_19_4 =  3.8E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______75_19_4 =  2.3E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______75_19_4 =  4.5E+03                                  ! [atm] type: Q, ref: 2535
Hvpx______75_19_4 =  7.4E+03                                  ! [atm] type: Q, ref: 2543
Hvpx______75_19_4 =  1.4E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______75_19_4 =  6.0E+03                                  ! [atm] type: Q, ref: 984
Hvpx______75_19_4 =  4.2E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______75_19_4 =  4.8E+03 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx______75_19_4 =  4.2E+03                                  ! [atm] type: ?, ref: 789
Hvpx______75_19_4 =  4.8E+03                                  ! [atm] type: ?, ref: 1500

! species:  cyclobutane
! formula:  C_4H_8
! trivial:  
! casrn:    287-23-0
! inchikey: PMPVIKIVABFJJI-UHFFFAOYSA-N
Hvpx_____287_23_0 =  4.2E+05                                  ! [atm] type: Q, ref: 3728
Hvpx_____287_23_0 =  7.7E+03                                  ! [atm] type: Q, ref: 3088

! species:  cyclopentane
! formula:  C_5H_{10}
! trivial:  
! casrn:    287-92-3
! inchikey: RGSFGYAAUTVSQA-UHFFFAOYSA-N
Hvpx_____287_92_3 =  9.4E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____287_92_3 =  9.9E+03 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____287_92_3 =  1.0E+04                                  ! [atm] type: L, ref: 479
Hvpx_____287_92_3 =  8.4E+03 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx_____287_92_3 =  9.8E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____287_92_3 =  1.0E+04                                  ! [atm] type: V, ref: 635
Hvpx_____287_92_3 =  1.0E+04                                  ! [atm] type: V, ref: 2439
Hvpx_____287_92_3 =  1.0E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____287_92_3 =  1.0E+04                                  ! [atm] type: V, ref: 642
Hvpx_____287_92_3 =  9.7E+03                                  ! [atm] type: V, ref: 3923
Hvpx_____287_92_3 =  1.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____287_92_3 =  1.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____287_92_3 =  8.8E+03                                  ! [atm] type: Q, ref: 3682
Hvpx_____287_92_3 =  1.1E+04                                  ! [atm] type: Q, ref: 3730
Hvpx_____287_92_3 =  1.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____287_92_3 =  1.1E+04                                  ! [atm] type: Q, ref: 3088
Hvpx_____287_92_3 =  1.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____287_92_3 =  1.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____287_92_3 =  4.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____287_92_3 =  1.1E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____287_92_3 =  9.4E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____287_92_3 =  5.0E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____287_92_3 =  4.4E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____287_92_3 =  1.7E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____287_92_3 =  1.1E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____287_92_3 =  1.5E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____287_92_3 =  1.6E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____287_92_3 =  1.3E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____287_92_3 =  9.6E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____287_92_3 =  8.4E+03                                  ! [atm] type: ?, ref: 3586
Hvpx_____287_92_3 =  1.0E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____287_92_3 =  1.0E+04                                  ! [atm] type: ?, ref: 789
Hvpx_____287_92_3 =  1.0E+04                                  ! [atm] type: ?, ref: 1500
Hvpx_____287_92_3 =  1.0E+04                                  ! [atm] type: ?, ref: 2226

! species:  cyclohexane
! formula:  C_6H_{12}
! trivial:  
! casrn:    110-82-7
! inchikey: XDTMQSROBMDMFD-UHFFFAOYSA-N
Hvpx_____110_82_7 =  1.1E+04 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____110_82_7 =  1.0E+04 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____110_82_7 =  9.8E+03                                  ! [atm] type: L, ref: 479
Hvpx_____110_82_7 =  1.7E+03 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____110_82_7 =  6.9E+03                                  ! [atm] type: M, ref: 2955
Hvpx_____110_82_7 =  1.0E+04 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx_____110_82_7 =  9.1E+03                                  ! [atm] type: M, ref: 903
Hvpx_____110_82_7 =  1.0E+04 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 857
Hvpx_____110_82_7 =  1.6E+04                                  ! [atm] type: M, ref: 2924
Hvpx_____110_82_7 =  9.9E+03 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____110_82_7 =  1.0E+04 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2911
Hvpx_____110_82_7 =  1.0E+04 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2980
Hvpx_____110_82_7 =  1.0E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____110_82_7 =  1.1E+04                                  ! [atm] type: V, ref: 635
Hvpx_____110_82_7 =  9.1E+03                                  ! [atm] type: V, ref: 2439
Hvpx_____110_82_7 =  1.0E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____110_82_7 =  1.1E+04                                  ! [atm] type: V, ref: 642
Hvpx_____110_82_7 =  9.8E+03                                  ! [atm] type: V, ref: 3923
Hvpx_____110_82_7 =  1.0E+04 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: T, ref: 3674
Hvpx_____110_82_7 =  1.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_82_7 =  1.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_82_7 =  8.8E+03 * EXP(   -710.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____110_82_7 =  8.2E+03                                  ! [atm] type: Q, ref: 3682
Hvpx_____110_82_7 =  8.3E+03                                  ! [atm] type: Q, ref: 3730
Hvpx_____110_82_7 =  1.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_82_7 =  3.4E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_82_7 =  5.7E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_82_7 =  3.7E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_82_7 =  2.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_82_7 =  1.1E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_82_7 =  5.8E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_82_7 =  2.4E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_82_7 =  9.4E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_82_7 =  1.6E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____110_82_7 =  2.0E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_82_7 =  1.6E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_82_7 =  1.6E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____110_82_7 =  1.2E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____110_82_7 =  8.3E+03                                  ! [atm] type: ?, ref: 3586
Hvpx_____110_82_7 =  1.1E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____110_82_7 =  1.8E+04                                  ! [atm] type: ?, ref: 3614
Hvpx_____110_82_7 =  1.1E+04                                  ! [atm] type: ?, ref: 789
Hvpx_____110_82_7 =  1.1E+04                                  ! [atm] type: ?, ref: 1500
Hvpx_____110_82_7 =  1.1E+04                                  ! [atm] type: ?, ref: 2226

! species:  methylcyclopentane
! formula:  C_5H_9CH_3
! trivial:  
! casrn:    96-37-7
! inchikey: GDOPTJXRTPNYNR-UHFFFAOYSA-N
Hvpx______96_37_7 =  2.0E+04                                  ! [atm] type: L, ref: 3518
Hvpx______96_37_7 =  2.0E+04 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______96_37_7 =  2.0E+04                                  ! [atm] type: L, ref: 479
Hvpx______96_37_7 =  2.0E+04                                  ! [atm] type: V, ref: 3586
Hvpx______96_37_7 =  2.0E+04                                  ! [atm] type: V, ref: 3088
Hvpx______96_37_7 =  2.0E+04                                  ! [atm] type: V, ref: 2611
Hvpx______96_37_7 =  2.0E+04                                  ! [atm] type: V, ref: 635
Hvpx______96_37_7 =  2.0E+04                                  ! [atm] type: V, ref: 2478
Hvpx______96_37_7 =  2.0E+04                                  ! [atm] type: V, ref: 642
Hvpx______96_37_7 =  1.9E+04                                  ! [atm] type: V, ref: 3923
Hvpx______96_37_7 =  2.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______96_37_7 =  3.9E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______96_37_7 =  3.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx______96_37_7 =  2.2E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______96_37_7 =  1.1E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______96_37_7 =  1.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______96_37_7 =  1.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx______96_37_7 =  1.2E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______96_37_7 =  5.0E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______96_37_7 =  1.9E+04                                  ! [atm] type: Q, ref: 2535
Hvpx______96_37_7 =  2.1E+04                                  ! [atm] type: Q, ref: 3731
Hvpx______96_37_7 =  2.0E+04                                  ! [atm] type: Q, ref: 2543
Hvpx______96_37_7 =  1.5E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______96_37_7 =  1.8E+04                                  ! [atm] type: Q, ref: 1162
Hvpx______96_37_7 =  1.4E+04                                  ! [atm] type: Q, ref: 2482
Hvpx______96_37_7 =  2.0E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______96_37_7 =  3.2E+04                                  ! [atm] type: ?, ref: 3614
Hvpx______96_37_7 =  2.0E+04                                  ! [atm] type: ?, ref: 789

! species:  cycloheptane
! formula:  C_7H_{14}
! trivial:  
! casrn:    291-64-5
! inchikey: DMEGYFMYUHOHGS-UHFFFAOYSA-N
Hvpx_____291_64_5 =  8.2E+03                                  ! [atm] type: L, ref: 3518
Hvpx_____291_64_5 =  5.4E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____291_64_5 =  5.1E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____291_64_5 =  6.7E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____291_64_5 =  5.2E+03                                  ! [atm] type: V, ref: 635
Hvpx_____291_64_5 =  5.2E+03                                  ! [atm] type: V, ref: 1910
Hvpx_____291_64_5 =  5.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____291_64_5 =  5.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____291_64_5 =  4.5E+03                                  ! [atm] type: Q, ref: 3682
Hvpx_____291_64_5 =  1.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____291_64_5 =  2.2E+04                                  ! [atm] type: Q, ref: 3088
Hvpx_____291_64_5 =  1.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____291_64_5 =  2.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____291_64_5 =  8.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____291_64_5 =  1.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____291_64_5 =  9.6E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____291_64_5 =  1.1E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____291_64_5 =  6.6E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____291_64_5 =  5.1E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____291_64_5 =  1.7E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____291_64_5 =  5.1E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____291_64_5 =  3.5E+02                                  ! [atm] type: ?, ref: 637
Hvpx_____291_64_5 =  5.2E+03                                  ! [atm] type: ?, ref: 789

! species:  methylcyclohexane
! formula:  C_6H_{11}CH_3
! trivial:  
! casrn:    108-87-2
! inchikey: UAEPNZWRGJTJPN-UHFFFAOYSA-N
Hvpx_____108_87_2 =  2.1E+04 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_87_2 =  2.3E+04                                  ! [atm] type: L, ref: 3673
Hvpx_____108_87_2 =  2.2E+04                                  ! [atm] type: L, ref: 479
Hvpx_____108_87_2 =  1.7E+03 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____108_87_2 =  3.8E+03                                  ! [atm] type: M, ref: 2930
Hvpx_____108_87_2 =  5.7E+03 * EXP(  -9400.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx_____108_87_2 =  1.1E+05                                  ! [atm] type: V, ref: 2580
Hvpx_____108_87_2 =  2.2E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____108_87_2 =  2.4E+04                                  ! [atm] type: V, ref: 635
Hvpx_____108_87_2 =  2.4E+04                                  ! [atm] type: V, ref: 1145
Hvpx_____108_87_2 =  2.1E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____108_87_2 =  2.4E+04                                  ! [atm] type: V, ref: 642
Hvpx_____108_87_2 =  2.0E+04                                  ! [atm] type: V, ref: 3923
Hvpx_____108_87_2 =  2.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_87_2 =  6.2E+03                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_87_2 =  3.9E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_87_2 =  3.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_87_2 =  2.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_87_2 =  1.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_87_2 =  1.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_87_2 =  2.3E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_87_2 =  1.6E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_87_2 =  2.6E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_87_2 =  2.2E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_87_2 =  2.0E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_87_2 =  2.8E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_87_2 =  1.6E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_87_2 =  6.3E+03                                  ! [atm] type: Q, ref: 731
Hvpx_____108_87_2 =  2.4E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_87_2 =  1.9E+04                                  ! [atm] type: Q, ref: 1145
Hvpx_____108_87_2 =  1.7E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____108_87_2 =  2.4E+04                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_87_2 =  2.3E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_87_2 =  2.4E+04                                  ! [atm] type: ?, ref: 789

! species:  methylcyclohexane-d14
! formula:  C_6D_{11}CD_3
! trivial:  
! casrn:    10120-28-2
! inchikey: UAEPNZWRGJTJPN-OBYKGMMLSA-N
Hvpx___10120_28_2 =  1.8E+03 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  ethylcyclopentane
! formula:  C_7H_{14}
! trivial:  
! casrn:    1640-89-7
! inchikey: IFTRQJLVEBNKJK-UHFFFAOYSA-N
Hvpx____1640_89_7 =  3.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1640_89_7 =  3.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1640_89_7 =  2.9E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____1640_89_7 =  2.3E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____1640_89_7 =  3.0E+04                                  ! [atm] type: ?, ref: 2440

! species:  1,1-dimethylcyclopentane
! formula:  C_7H_{14}
! trivial:  
! casrn:    1638-26-2
! inchikey: QWHNJUXXYKPLQM-UHFFFAOYSA-N
Hvpx____1638_26_2 =  2.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1638_26_2 =  5.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1638_26_2 =  2.9E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____1638_26_2 =  3.3E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____1638_26_2 =  2.4E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it cis}-1,2-dimethylcyclopentane
! formula:  C_7H_{14}
! trivial:  
! casrn:    1192-18-3
! inchikey: RIRARCHMRDHZAR-KNVOCYPGSA-N
Hvpx____1192_18_3 =  2.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1192_18_3 =  3.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1192_18_3 =  2.8E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____1192_18_3 =  2.8E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it cis}-1,3-dimethylcyclopentane
! formula:  C_7H_{14}
! trivial:  
! casrn:    2532-58-3
! inchikey: XAZKFISIRYLAEE-KNVOCYPGSA-N
Hvpx____2532_58_3 =  2.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2532_58_3 =  4.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2532_58_3 =  2.8E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____2532_58_3 =  2.5E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it trans}-1,2-dimethylcyclopentane
! formula:  C_7H_{14}
! trivial:  
! casrn:    822-50-4
! inchikey: RIRARCHMRDHZAR-RNFRBKRXSA-N
Hvpx_____822_50_4 =  2.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____822_50_4 =  4.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____822_50_4 =  2.8E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____822_50_4 =  2.5E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it trans}-1,3-dimethylcyclopentane
! formula:  C_7H_{14}
! trivial:  
! casrn:    1759-58-6
! inchikey: XAZKFISIRYLAEE-RNFRBKRXSA-N
Hvpx____1759_58_6 =  2.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1759_58_6 =  4.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1759_58_6 =  2.8E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____1759_58_6 =  2.5E+04                                  ! [atm] type: ?, ref: 2440

! species:  cyclooctane
! formula:  C_8H_{16}
! trivial:  
! casrn:    292-64-8
! inchikey: WJTCGQSWYFHTAC-UHFFFAOYSA-N
Hvpx_____292_64_8 =  7.5E+03 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____292_64_8 =  5.9E+03 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____292_64_8 =  8.0E+03 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2936
Hvpx_____292_64_8 =  7.9E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____292_64_8 =  5.8E+03                                  ! [atm] type: V, ref: 635
Hvpx_____292_64_8 =  5.7E+03                                  ! [atm] type: V, ref: 1910
Hvpx_____292_64_8 =  5.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____292_64_8 =  1.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____292_64_8 =  5.7E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____292_64_8 =  7.3E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____292_64_8 =  7.4E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____292_64_8 =  5.6E+03                                  ! [atm] type: ?, ref: 637
Hvpx_____292_64_8 =  5.7E+03                                  ! [atm] type: ?, ref: 789

! species:  methylcycloheptane
! formula:  C_8H_{16}
! trivial:  
! casrn:    4126-78-7
! inchikey: GYNNXHKOJHMOHS-UHFFFAOYSA-N
Hvpx____4126_78_7 =  2.6E+04                                  ! [atm] type: Q, ref: 2521

! species:  1,1-dimethylcyclohexane
! formula:  C_8H_{16}
! trivial:  
! casrn:    590-66-9
! inchikey: QEGNUYASOUJEHD-UHFFFAOYSA-N
Hvpx_____590_66_9 =  3.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____590_66_9 =  6.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____590_66_9 =  3.5E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____590_66_9 =  2.7E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____590_66_9 =  3.1E+04                                  ! [atm] type: ?, ref: 2440

! species:  1,2-dimethylcyclohexane
! formula:  C_6H_{10}(CH_3)_2
! trivial:  
! casrn:    583-57-3
! inchikey: KVZJLSYJROEPSQ-UHFFFAOYSA-N
Hvpx_____583_57_3 =  2.0E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____583_57_3 =  2.6E+04                                  ! [atm] type: V, ref: 635
Hvpx_____583_57_3 =  1.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____583_57_3 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____583_57_3 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____583_57_3 =  2.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____583_57_3 =  3.9E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____583_57_3 =  1.7E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____583_57_3 =  3.2E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____583_57_3 =  2.4E+04                                  ! [atm] type: Q, ref: 2482

! species:  {\it cis}-1,2-dimethylcyclohexane
! formula:  C_6H_{10}(CH_3)_2
! trivial:  
! casrn:    2207-01-4
! inchikey: KVZJLSYJROEPSQ-OCAPTIKFSA-N
Hvpx____2207_01_4 =  2.1E+04 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx____2207_01_4 =  2.0E+04                                  ! [atm] type: L, ref: 3673
Hvpx____2207_01_4 =  2.0E+04                                  ! [atm] type: L, ref: 479
Hvpx____2207_01_4 =  2.0E+04 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2936
Hvpx____2207_01_4 =  2.0E+04                                  ! [atm] type: V, ref: 3586
Hvpx____2207_01_4 =  1.2E+05                                  ! [atm] type: V, ref: 2580
Hvpx____2207_01_4 =  2.0E+04                                  ! [atm] type: V, ref: 2611
Hvpx____2207_01_4 =  2.0E+04                                  ! [atm] type: V, ref: 1145
Hvpx____2207_01_4 =  2.0E+04                                  ! [atm] type: V, ref: 2478
Hvpx____2207_01_4 =  2.0E+04                                  ! [atm] type: V, ref: 642
Hvpx____2207_01_4 =  2.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2207_01_4 =  1.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx____2207_01_4 =  4.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2207_01_4 =  4.0E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____2207_01_4 =  2.3E+04                                  ! [atm] type: Q, ref: 2530
Hvpx____2207_01_4 =  1.9E+04                                  ! [atm] type: Q, ref: 2535
Hvpx____2207_01_4 =  3.8E+04                                  ! [atm] type: Q, ref: 2543
Hvpx____2207_01_4 =  1.3E+04                                  ! [atm] type: Q, ref: 984
Hvpx____2207_01_4 =  2.5E+04                                  ! [atm] type: Q, ref: 1145
Hvpx____2207_01_4 =  2.0E+04                                  ! [atm] type: ?, ref: 2440
Hvpx____2207_01_4 =  2.0E+04                                  ! [atm] type: ?, ref: 789

! species:  {\it trans}-1,2-dimethylcyclohexane
! formula:  C_6H_{10}(CH_3)_2
! trivial:  
! casrn:    6876-23-9
! inchikey: KVZJLSYJROEPSQ-HTQZYQBOSA-N
Hvpx____6876_23_9 =  3.4E+04 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx____6876_23_9 =  3.4E+04 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2936
Hvpx____6876_23_9 =  3.0E+04                                  ! [atm] type: V, ref: 3586
Hvpx____6876_23_9 =  9.6E+04                                  ! [atm] type: V, ref: 2580
Hvpx____6876_23_9 =  4.2E+04                                  ! [atm] type: V, ref: 635
Hvpx____6876_23_9 =  3.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6876_23_9 =  1.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx____6876_23_9 =  5.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____6876_23_9 =  4.0E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____6876_23_9 =  3.3E+04                                  ! [atm] type: ?, ref: 2440
Hvpx____6876_23_9 =  2.6E+04                                  ! [atm] type: ?, ref: 789

! species:  {\it cis}-1,3-dimethylcyclohexane
! formula:  C_8H_{16}
! trivial:  
! casrn:    638-04-0
! inchikey: SGVUHPSBDNVHKL-OCAPTIKFSA-N
Hvpx_____638_04_0 =  3.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____638_04_0 =  6.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____638_04_0 =  4.0E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____638_04_0 =  3.0E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it trans}-1,3-dimethylcyclohexane
! formula:  C_8H_{16}
! trivial:  
! casrn:    2207-03-6
! inchikey: SGVUHPSBDNVHKL-HTQZYQBOSA-N
Hvpx____2207_03_6 =  3.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2207_03_6 =  5.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2207_03_6 =  4.0E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____2207_03_6 =  3.2E+04                                  ! [atm] type: ?, ref: 2440

! species:  1,4-dimethylcyclohexane
! formula:  C_6H_{10}(CH_3)_2
! trivial:  
! casrn:    589-90-2
! inchikey: QRMPKOFEUHIBNM-UHFFFAOYSA-N
Hvpx_____589_90_2 =  3.7E+04                                  ! [atm] type: Q, ref: 2521

! species:  {\it cis}-1,4-dimethylcyclohexane
! formula:  C_8H_{16}
! trivial:  
! casrn:    624-29-3
! inchikey: QRMPKOFEUHIBNM-OCAPTIKFSA-N
Hvpx_____624_29_3 =  3.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____624_29_3 =  5.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____624_29_3 =  4.0E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____624_29_3 =  3.2E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it trans}-1,4-dimethylcyclohexane
! formula:  C_6H_{10}(CH_3)_2
! trivial:  
! casrn:    2207-04-7
! inchikey: QRMPKOFEUHIBNM-ZKCHVHJHSA-N
Hvpx____2207_04_7 =  4.8E+04                                  ! [atm] type: L, ref: 3673
Hvpx____2207_04_7 =  4.8E+04                                  ! [atm] type: L, ref: 479
Hvpx____2207_04_7 =  4.8E+04                                  ! [atm] type: V, ref: 3586
Hvpx____2207_04_7 =  4.8E+04                                  ! [atm] type: V, ref: 2611
Hvpx____2207_04_7 =  4.8E+04                                  ! [atm] type: V, ref: 635
Hvpx____2207_04_7 =  4.8E+04                                  ! [atm] type: V, ref: 2478
Hvpx____2207_04_7 =  4.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2207_04_7 =  1.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx____2207_04_7 =  6.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2207_04_7 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____2207_04_7 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____2207_04_7 =  2.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____2207_04_7 =  4.0E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____2207_04_7 =  1.9E+04                                  ! [atm] type: Q, ref: 2535
Hvpx____2207_04_7 =  3.8E+04                                  ! [atm] type: Q, ref: 2543
Hvpx____2207_04_7 =  2.5E+04                                  ! [atm] type: Q, ref: 984
Hvpx____2207_04_7 =  4.8E+04                                  ! [atm] type: ?, ref: 2440
Hvpx____2207_04_7 =  4.8E+04                                  ! [atm] type: ?, ref: 789

! species:  ethylcyclohexane
! formula:  C_8H_{16}
! trivial:  
! casrn:    1678-91-7
! inchikey: IIEWJVIFRVWJOD-UHFFFAOYSA-N
Hvpx____1678_91_7 =  2.6E+04 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx____1678_91_7 =  2.7E+04 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2936
Hvpx____1678_91_7 =  1.8E+04 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2912
Hvpx____1678_91_7 =  1.7E+04                                  ! [atm] type: V, ref: 3586
Hvpx____1678_91_7 =  7.4E+04                                  ! [atm] type: V, ref: 2580
Hvpx____1678_91_7 =  3.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1678_91_7 =  3.9E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____1678_91_7 =  4.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1678_91_7 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____1678_91_7 =  1.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____1678_91_7 =  2.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____1678_91_7 =  3.6E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____1678_91_7 =  2.4E+04                                  ! [atm] type: Q, ref: 2521
Hvpx____1678_91_7 =  1.7E+04                                  ! [atm] type: Q, ref: 2535
Hvpx____1678_91_7 =  1.6E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____1678_91_7 =  1.6E+04                                  ! [atm] type: Q, ref: 3764
Hvpx____1678_91_7 =  3.6E+04                                  ! [atm] type: ?, ref: 2440

! species:  1,1,2-trimethylcyclopentane
! formula:  C_5H_7(CH_3)_3
! trivial:  
! casrn:    4259-00-1
! inchikey: WINCSBAYCULVDU-UHFFFAOYSA-N
Hvpx____4259_00_1 =  4.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4259_00_1 =  6.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4259_00_1 =  4.4E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____4259_00_1 =  8.0E+04                                  ! [atm] type: Q, ref: 2521

! species:  1,1,3-trimethylcyclopentane
! formula:  C_5H_7(CH_3)_3
! trivial:  
! casrn:    4516-69-2
! inchikey: OBKHYUIZSOIEPG-UHFFFAOYSA-N
Hvpx____4516_69_2 =  8.8E+04                                  ! [atm] type: L, ref: 3673
Hvpx____4516_69_2 =  8.7E+04                                  ! [atm] type: L, ref: 479
Hvpx____4516_69_2 =  8.7E+04                                  ! [atm] type: V, ref: 2611
Hvpx____4516_69_2 =  8.7E+04                                  ! [atm] type: V, ref: 635
Hvpx____4516_69_2 =  8.7E+04                                  ! [atm] type: V, ref: 2478
Hvpx____4516_69_2 =  3.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4516_69_2 =  8.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4516_69_2 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____4516_69_2 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____4516_69_2 =  2.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____4516_69_2 =  4.4E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____4516_69_2 =  8.7E+04                                  ! [atm] type: Q, ref: 2535

! species:  1,{\it cis}-2,{\it cis}-3-trimethylcyclopentane
! formula:  C_8H_{16}
! trivial:  
! casrn:    2613-69-6
! inchikey: VCWNHOPGKQCXIQ-RNLVFQAGSA-N
Hvpx____2613_69_6 =  4.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2613_69_6 =  6.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2613_69_6 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2,{\it trans}-3-trimethylcyclopentane
! formula:  C_8H_{16}
! trivial:  
! casrn:    15890-40-1
! inchikey: VCWNHOPGKQCXIQ-JIGDXULJSA-N
Hvpx___15890_40_1 =  4.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15890_40_1 =  7.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___15890_40_1 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-2,{\it cis}-3-trimethylcyclopentane
! formula:  C_8H_{16}
! trivial:  
! casrn:    19374-46-0
! inchikey: VCWNHOPGKQCXIQ-RNFRBKRXSA-N
Hvpx___19374_46_0 =  3.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19374_46_0 =  8.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___19374_46_0 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2,{\it cis}-4-trimethylcyclopentane
! formula:  C_8H_{16}
! trivial:  
! casrn:    2613-72-1
! inchikey: PNUFYSGVPVMNRN-RNLVFQAGSA-N
Hvpx____2613_72_1 =  4.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2613_72_1 =  7.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2613_72_1 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2,{\it trans}-4-trimethylcyclopentane
! formula:  C_8H_{16}
! trivial:  
! casrn:    4850-28-6
! inchikey: PNUFYSGVPVMNRN-WHUPJOBBSA-N
Hvpx____4850_28_6 =  4.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4850_28_6 =  7.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4850_28_6 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-2,{\it cis}-4-trimethylcyclopentane
! formula:  C_8H_{16}
! trivial:  
! casrn:    16883-48-0
! inchikey: PNUFYSGVPVMNRN-HTQZYQBOSA-N
Hvpx___16883_48_0 =  3.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16883_48_0 =  9.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___16883_48_0 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-1-ethylcyclopentane
! formula:  C_8H_{16}
! trivial:  
! casrn:    16747-50-5
! inchikey: LETYIFNDQBJGPJ-UHFFFAOYSA-N
Hvpx___16747_50_5 =  4.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16747_50_5 =  5.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___16747_50_5 =  4.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx___16747_50_5 =  3.5E+04                                  ! [atm] type: Q, ref: 3731
Hvpx___16747_50_5 =  4.8E+04                                  ! [atm] type: ?, ref: 2440

! species:  1-methyl-{\it cis}-2-ethylcyclopentane
! formula:  C_8H_{16}
! trivial:  
! casrn:    930-89-2
! inchikey: BSKOLJVTLRLTHE-SFYZADRCSA-N
Hvpx_____930_89_2 =  5.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____930_89_2 =  5.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____930_89_2 =  5.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it trans}-2-ethylcyclopentane
! formula:  C_8H_{16}
! trivial:  
! casrn:    930-90-5
! inchikey: BSKOLJVTLRLTHE-HTQZYQBOSA-N
Hvpx_____930_90_5 =  4.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____930_90_5 =  6.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____930_90_5 =  5.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it cis}-3-ethylcyclopentane
! formula:  C_8H_{16}
! trivial:  
! casrn:    2613-66-3
! inchikey: PQXAPVOKLYINEI-SFYZADRCSA-N
Hvpx____2613_66_3 =  4.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2613_66_3 =  6.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2613_66_3 =  5.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it trans}-3-ethylcyclopentane
! formula:  C_8H_{16}
! trivial:  
! casrn:    2613-65-2
! inchikey: PQXAPVOKLYINEI-HTQZYQBOSA-N
Hvpx____2613_65_2 =  4.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2613_65_2 =  6.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2613_65_2 =  5.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  propylcyclopentane
! formula:  C_5H_9C_3H_7
! trivial:  
! casrn:    2040-96-2
! inchikey: KDIAMAVWIJYWHN-UHFFFAOYSA-N
Hvpx____2040_96_2 =  5.0E+04                                  ! [atm] type: L, ref: 3673
Hvpx____2040_96_2 =  4.9E+04                                  ! [atm] type: L, ref: 479
Hvpx____2040_96_2 =  5.0E+04                                  ! [atm] type: V, ref: 3586
Hvpx____2040_96_2 =  4.9E+04                                  ! [atm] type: V, ref: 2611
Hvpx____2040_96_2 =  4.9E+04                                  ! [atm] type: V, ref: 635
Hvpx____2040_96_2 =  4.9E+04                                  ! [atm] type: V, ref: 2478
Hvpx____2040_96_2 =  5.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2040_96_2 =  3.9E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____2040_96_2 =  4.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2040_96_2 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____2040_96_2 =  2.2E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____2040_96_2 =  2.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____2040_96_2 =  4.5E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____2040_96_2 =  2.8E+04                                  ! [atm] type: Q, ref: 2521
Hvpx____2040_96_2 =  4.9E+04                                  ! [atm] type: Q, ref: 2535
Hvpx____2040_96_2 =  2.2E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____2040_96_2 =  1.7E+04                                  ! [atm] type: Q, ref: 3764
Hvpx____2040_96_2 =  2.1E+04                                  ! [atm] type: Q, ref: 984
Hvpx____2040_96_2 =  4.9E+04                                  ! [atm] type: ?, ref: 2440
Hvpx____2040_96_2 =  5.0E+04                                  ! [atm] type: ?, ref: 789

! species:  isopropylcyclopentane
! formula:  C_8H_{16}
! trivial:  
! casrn:    3875-51-2
! inchikey: TVSBRLGQVHJIKT-UHFFFAOYSA-N
Hvpx____3875_51_2 =  5.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3875_51_2 =  5.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3875_51_2 =  4.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  5,5-dimethylbicyclo[2.1.1]hexane
! formula:  C_8H_{14}
! trivial:  MCM:C8BC
! casrn:    UNKNOWN
! inchikey: WZXMVFMYGAOEAT-UHFFFAOYSA-N
Hvpx_WZXMVFMYGAOEAT_UHFFFAOYSA_N =  1.8E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_WZXMVFMYGAOEAT_UHFFFAOYSA_N =  3.1E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_WZXMVFMYGAOEAT_UHFFFAOYSA_N =  2.6E+03                                  ! [atm] type: Q, ref: 3409

! species:  1,1,2-trimethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    7094-26-0
! inchikey: MEBONNVPKOBPEA-UHFFFAOYSA-N
Hvpx____7094_26_0 =  6.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7094_26_0 =  6.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7094_26_0 =  6.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,1,3-trimethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    3073-66-3
! inchikey: PYOLJOJPIPCRDP-UHFFFAOYSA-N
Hvpx____3073_66_3 =  5.9E+04                                  ! [atm] type: L, ref: 3673
Hvpx____3073_66_3 =  5.8E+04                                  ! [atm] type: V, ref: 2611
Hvpx____3073_66_3 =  5.8E+04                                  ! [atm] type: V, ref: 635
Hvpx____3073_66_3 =  4.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3073_66_3 =  8.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3073_66_3 =  6.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,1,4-trimethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    7094-27-1
! inchikey: UIWORXHEVNIOJG-UHFFFAOYSA-N
Hvpx____7094_27_1 =  5.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7094_27_1 =  9.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7094_27_1 =  6.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2,{\it cis}-3-trimethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    1839-88-9
! inchikey: DQTVJLHNWPRPPH-AYMMMOKOSA-N
Hvpx____1839_88_9 =  9.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1839_88_9 =  6.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1839_88_9 =  6.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2,{\it trans}-3-trimethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    7667-55-2
! inchikey: DQTVJLHNWPRPPH-BRPSZJMVSA-N
Hvpx____7667_55_2 =  8.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7667_55_2 =  6.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7667_55_2 =  6.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2,{\it cis}-4-trimethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    1678-80-4
! inchikey: VCJPCEVERINRSG-YIZRAAEISA-N
Hvpx____1678_80_4 =  8.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1678_80_4 =  7.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1678_80_4 =  6.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2,{\it trans}-4-trimethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    7667-58-5
! inchikey: VCJPCEVERINRSG-HLTSFMKQSA-N
Hvpx____7667_58_5 =  8.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7667_58_5 =  7.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7667_58_5 =  6.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it cis},{\it cis}-1,3,5-trimethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    1795-27-3
! inchikey: ODNRTOSCFYDTKF-AYMMMOKOSA-N
Hvpx____1795_27_3 =  3.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1795_27_3 =  9.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1795_27_3 =  6.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it cis},{\it trans}-1,3,5-trimethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    1795-26-2
! inchikey: ODNRTOSCFYDTKF-FBJIGQNJSA-N
Hvpx____1795_26_2 =  3.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1795_26_2 =  9.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1795_26_2 =  8.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1795_26_2 =  6.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-2,{\it cis}-3-trimethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    1678-81-5
! inchikey: DQTVJLHNWPRPPH-HTQZYQBOSA-N
Hvpx____1678_81_5 =  7.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1678_81_5 =  8.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1678_81_5 =  6.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-2,{\it cis}-4-trimethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    7667-59-6
! inchikey: VCJPCEVERINRSG-DJLDLDEBSA-N
Hvpx____7667_59_6 =  7.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7667_59_6 =  8.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7667_59_6 =  6.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-2,{\it trans}-4-trimethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    7667-60-9
! inchikey: VCJPCEVERINRSG-IWSPIJDZSA-N
Hvpx____7667_60_9 =  7.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7667_60_9 =  8.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7667_60_9 =  6.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-1-ethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    4926-90-3
! inchikey: YPJRYQGOKHKNKZ-UHFFFAOYSA-N
Hvpx____4926_90_3 =  6.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4926_90_3 =  5.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4926_90_3 =  5.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it cis}-2-ethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    4923-77-7
! inchikey: XARGIVYWQPXRTC-BDAKNGLRSA-N
Hvpx____4923_77_7 =  5.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4923_77_7 =  5.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4923_77_7 =  6.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it cis}-3-ethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    19489-10-2
! inchikey: UDDVMPHNQKRNNS-BDAKNGLRSA-N
Hvpx___19489_10_2 =  5.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19489_10_2 =  6.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___19489_10_2 =  6.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it cis}-4-ethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    4926-78-7
! inchikey: CYISMTMRBPPERU-DTORHVGOSA-N
Hvpx____4926_78_7 =  4.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4926_78_7 =  6.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4926_78_7 =  6.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it trans}-2-ethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    4923-78-8
! inchikey: XARGIVYWQPXRTC-RKDXNWHRSA-N
Hvpx____4923_78_8 =  5.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4923_78_8 =  6.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4923_78_8 =  6.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it trans}-3-ethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    4926-76-5
! inchikey: UDDVMPHNQKRNNS-RKDXNWHRSA-N
Hvpx____4926_76_5 =  5.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4926_76_5 =  6.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4926_76_5 =  6.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it trans}-4-ethylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    6236-88-0
! inchikey: CYISMTMRBPPERU-KYZUINATSA-N
Hvpx____6236_88_0 =  6.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6236_88_0 =  6.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____6236_88_0 =  6.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  propylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    1678-92-8
! inchikey: DEDZSLCZHWTGOR-UHFFFAOYSA-N
Hvpx____1678_92_8 =  5.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1678_92_8 =  5.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1678_92_8 =  4.9E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____1678_92_8 =  1.1E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____1678_92_8 =  5.7E+04                                  ! [atm] type: ?, ref: 2440

! species:  isopropylcyclohexane
! formula:  C_9H_{18}
! trivial:  
! casrn:    696-29-7
! inchikey: GWESVXSMPKAFAS-UHFFFAOYSA-N
Hvpx_____696_29_7 =  5.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____696_29_7 =  5.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____696_29_7 =  5.0E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____696_29_7 =  2.0E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____696_29_7 =  5.8E+04                                  ! [atm] type: ?, ref: 2440

! species:  1,1,2,2-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    52688-89-8
! inchikey: YXDMSFJDVHXFCV-UHFFFAOYSA-N
Hvpx___52688_89_8 =  6.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52688_89_8 =  9.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___52688_89_8 =  6.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it cis}-1,1,2,3-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    UNKNOWN
! inchikey: CXCBKSYSKZEEJB-YUMQZZPRSA-N
Hvpx_CXCBKSYSKZEEJB_YUMQZZPRSA_N =  7.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_CXCBKSYSKZEEJB_YUMQZZPRSA_N =  9.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_CXCBKSYSKZEEJB_YUMQZZPRSA_N =  6.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it trans}-1,1,2,3-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    62016-70-0
! inchikey: CXCBKSYSKZEEJB-SFYZADRCSA-N
Hvpx___62016_70_0 =  6.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_70_0 =  1.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_70_0 =  6.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it cis}-1,1,2,4-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    62016-71-1
! inchikey: AVBGIJNNMIBMQG-SFYZADRCSA-N
Hvpx___62016_71_1 =  6.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_71_1 =  1.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_71_1 =  6.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it trans}-1,1,2,4-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    UNKNOWN
! inchikey: AVBGIJNNMIBMQG-YUMQZZPRSA-N
Hvpx_AVBGIJNNMIBMQG_YUMQZZPRSA_N =  6.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_AVBGIJNNMIBMQG_YUMQZZPRSA_N =  1.2E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_AVBGIJNNMIBMQG_YUMQZZPRSA_N =  6.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,1,3,3-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    50876-33-0
! inchikey: YWYCGTZNHWYQBD-UHFFFAOYSA-N
Hvpx___50876_33_0 =  5.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___50876_33_0 =  1.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___50876_33_0 =  6.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it cis}-1,1,3,4-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    53907-60-1
! inchikey: OWHFMVURUNNXMJ-OCAPTIKFSA-N
Hvpx___53907_60_1 =  6.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___53907_60_1 =  1.1E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___53907_60_1 =  6.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it trans}-1,1,3,4-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    20309-77-7
! inchikey: OWHFMVURUNNXMJ-HTQZYQBOSA-N
Hvpx___20309_77_7 =  5.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20309_77_7 =  1.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___20309_77_7 =  6.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it cis}-1,2,2,3-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    18938-68-6
! inchikey: DHLYDHNCPUAVHP-OCAPTIKFSA-N
Hvpx___18938_68_6 =  7.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18938_68_6 =  9.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___18938_68_6 =  6.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it trans}-1,2,2,3-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    UNKNOWN
! inchikey: DHLYDHNCPUAVHP-YUMQZZPRSA-N
Hvpx_DHLYDHNCPUAVHP_YUMQZZPRSA_N =  7.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_DHLYDHNCPUAVHP_YUMQZZPRSA_N =  9.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_DHLYDHNCPUAVHP_YUMQZZPRSA_N =  6.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2,{\it cis}-3,{\it cis}-4-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    2532-65-2
! inchikey: INYXDKODFMWKER-FNCVBFRFSA-N
Hvpx____2532_65_2 =  8.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2532_65_2 =  8.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2532_65_2 =  7.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2,{\it cis}-3,{\it trans}-4-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    2532-69-6
! inchikey: INYXDKODFMWKER-BGZDPUMWSA-N
Hvpx____2532_69_6 =  7.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2532_69_6 =  7.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2,{\it trans}-3,{\it cis}-4-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    2532-68-5
! inchikey: INYXDKODFMWKER-BZNPZCIMSA-N
Hvpx____2532_68_5 =  6.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2532_68_5 =  1.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2532_68_5 =  7.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-2,{\it cis}-3,{\it trans}-4-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    2532-67-4
! inchikey: INYXDKODFMWKER-HXFLIBJXSA-N
Hvpx____2532_67_4 =  6.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2532_67_4 =  1.5E+05                                  ! [atm] type: Q, ref: 3406
Hvpx____2532_67_4 =  7.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-2,{\it trans}-3,{\it cis}-4-tetramethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    19907-40-5
! inchikey: INYXDKODFMWKER-OJOKCITNSA-N
Hvpx___19907_40_5 =  6.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19907_40_5 =  1.3E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___19907_40_5 =  7.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,1-dimethyl-2-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    54549-80-3
! inchikey: RXPIHZJWAFCHEJ-UHFFFAOYSA-N
Hvpx___54549_80_3 =  7.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___54549_80_3 =  8.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___54549_80_3 =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,1-dimethyl-3-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    62016-61-9
! inchikey: WXHYOGXBESCULU-UHFFFAOYSA-N
Hvpx___62016_61_9 =  6.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_61_9 =  9.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_61_9 =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2-dimethyl-1-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    62016-63-1
! inchikey: DRWDWIMYUGHJBR-DTWKUNHWSA-N
Hvpx___62016_63_1 =  7.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_63_1 =  7.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_63_1 =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-2-dimethyl-1-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    62016-62-0
! inchikey: DRWDWIMYUGHJBR-RKDXNWHRSA-N
Hvpx___62016_62_0 =  7.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_62_0 =  7.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_62_0 =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2-dimethyl-{\it cis}-3-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    UNKNOWN
! inchikey: UMUGNPFWQJAOJI-HLTSFMKQSA-N
Hvpx_UMUGNPFWQJAOJI_HLTSFMKQSA_N =  9.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_UMUGNPFWQJAOJI_HLTSFMKQSA_N =  6.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_UMUGNPFWQJAOJI_HLTSFMKQSA_N =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-2-dimethyl-{\it trans}-3-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    UNKNOWN
! inchikey: UMUGNPFWQJAOJI-HRDYMLBCSA-N
Hvpx_UMUGNPFWQJAOJI_HRDYMLBCSA_N =  8.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_UMUGNPFWQJAOJI_HRDYMLBCSA_N =  8.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_UMUGNPFWQJAOJI_HRDYMLBCSA_N =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2-dimethyl-{\it trans}-3-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    UNKNOWN
! inchikey: UMUGNPFWQJAOJI-IWSPIJDZSA-N
Hvpx_UMUGNPFWQJAOJI_IWSPIJDZSA_N =  8.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_UMUGNPFWQJAOJI_IWSPIJDZSA_N =  8.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_UMUGNPFWQJAOJI_IWSPIJDZSA_N =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-2-dimethyl-{\it cis}-3-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    UNKNOWN
! inchikey: UMUGNPFWQJAOJI-VGMNWLOBSA-N
Hvpx_UMUGNPFWQJAOJI_VGMNWLOBSA_N =  7.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_UMUGNPFWQJAOJI_VGMNWLOBSA_N =  1.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_UMUGNPFWQJAOJI_VGMNWLOBSA_N =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2-dimethyl-{\it cis}-4-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    62016-64-2
! inchikey: QKXQNQVXTYSGKS-BRPSZJMVSA-N
Hvpx___62016_64_2 =  8.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_64_2 =  7.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_64_2 =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2-dimethyl-{\it trans}-4-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    62016-65-3
! inchikey: QKXQNQVXTYSGKS-AYMMMOKOSA-N
Hvpx___62016_65_3 =  8.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_65_3 =  7.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_65_3 =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-2-dimethyl-{\it cis}-4-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    62016-66-4
! inchikey: QKXQNQVXTYSGKS-HTQZYQBOSA-N
Hvpx___62016_66_4 =  7.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_66_4 =  9.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_66_4 =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-3-dimethyl-1-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    62016-68-6
! inchikey: OAWOMHRJVJMDLZ-DTWKUNHWSA-N
Hvpx___62016_68_6 =  6.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_68_6 =  9.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_68_6 =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-3-dimethyl-1-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    62016-67-5
! inchikey: OAWOMHRJVJMDLZ-RKDXNWHRSA-N
Hvpx___62016_67_5 =  6.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_67_5 =  9.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_67_5 =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-3-dimethyl-{\it cis}-2-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    19903-00-5
! inchikey: JREISGVVJTVFBL-AYMMMOKOSA-N
Hvpx___19903_00_5 =  9.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19903_00_5 =  6.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___19903_00_5 =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-3-dimethyl-{\it trans}-2-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    19902-98-8
! inchikey: JREISGVVJTVFBL-BRPSZJMVSA-N
Hvpx___19902_98_8 =  7.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19902_98_8 =  1.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___19902_98_8 =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-3-dimethyl-{\it cis}-2-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    19902-99-9
! inchikey: JREISGVVJTVFBL-HTQZYQBOSA-N
Hvpx___19902_99_9 =  8.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19902_99_9 =  8.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___19902_99_9 =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-3-dimethyl-{\it cis}-4-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    UNKNOWN
! inchikey: VMCXXGFUCWAIIN-YIZRAAEISA-N
Hvpx_VMCXXGFUCWAIIN_YIZRAAEISA_N =  8.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_VMCXXGFUCWAIIN_YIZRAAEISA_N =  8.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_VMCXXGFUCWAIIN_YIZRAAEISA_N =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-3-dimethyl-{\it trans}-4-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    UNKNOWN
! inchikey: VMCXXGFUCWAIIN-DJLDLDEBSA-N
Hvpx_VMCXXGFUCWAIIN_DJLDLDEBSA_N =  7.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_VMCXXGFUCWAIIN_DJLDLDEBSA_N =  1.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx_VMCXXGFUCWAIIN_DJLDLDEBSA_N =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-3-dimethyl-{\it cis}-4-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    UNKNOWN
! inchikey: VMCXXGFUCWAIIN-CIUDSAMLSA-N
Hvpx_VMCXXGFUCWAIIN_CIUDSAMLSA_N =  1.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_VMCXXGFUCWAIIN_CIUDSAMLSA_N =  2.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_VMCXXGFUCWAIIN_CIUDSAMLSA_N =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-3-dimethyl-{\it trans}-4-ethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    UNKNOWN
! inchikey: VMCXXGFUCWAIIN-XHNCKOQMSA-N
Hvpx_VMCXXGFUCWAIIN_XHNCKOQMSA_N =  8.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_VMCXXGFUCWAIIN_XHNCKOQMSA_N =  8.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_VMCXXGFUCWAIIN_XHNCKOQMSA_N =  8.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-1-propylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    16631-63-3
! inchikey: HICYLMKNNFKEMK-UHFFFAOYSA-N
Hvpx___16631_63_3 =  7.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16631_63_3 =  6.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___16631_63_3 =  7.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it cis}-2-propylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    932-43-4
! inchikey: ADQJFBQXLAAVQA-BDAKNGLRSA-N
Hvpx_____932_43_4 =  8.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____932_43_4 =  6.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____932_43_4 =  8.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it trans}-2-propylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    932-44-5
! inchikey: ADQJFBQXLAAVQA-RKDXNWHRSA-N
Hvpx_____932_44_5 =  7.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____932_44_5 =  7.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____932_44_5 =  8.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it cis}-3-propylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    2443-04-1
! inchikey: HRSBIYASWAILIF-BDAKNGLRSA-N
Hvpx____2443_04_1 =  7.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2443_04_1 =  7.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2443_04_1 =  8.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it trans}-3-propylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    2443-03-0
! inchikey: HRSBIYASWAILIF-RKDXNWHRSA-N
Hvpx____2443_03_0 =  7.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2443_03_0 =  7.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2443_03_0 =  8.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-1-isopropylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    61828-00-0
! inchikey: XFMQGDWBNOQLEG-UHFFFAOYSA-N
Hvpx___61828_00_0 =  8.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61828_00_0 =  6.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___61828_00_0 =  7.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it cis}-2-isopropylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    61868-01-7
! inchikey: CGWXYEIWDQDFIU-RKDXNWHRSA-N
Hvpx___61868_01_7 =  8.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_01_7 =  7.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_01_7 =  7.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it trans}-2-isopropylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    61828-01-1
! inchikey: CGWXYEIWDQDFIU-BDAKNGLRSA-N
Hvpx___61828_01_1 =  7.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61828_01_1 =  8.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___61828_01_1 =  7.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it cis}-3-isopropylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    61828-02-2
! inchikey: CDTDMKCVKCGRPD-BDAKNGLRSA-N
Hvpx___61828_02_2 =  7.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61828_02_2 =  8.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___61828_02_2 =  7.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-{\it trans}-3-isopropylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    61828-03-3
! inchikey: CDTDMKCVKCGRPD-RKDXNWHRSA-N
Hvpx___61828_03_3 =  7.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61828_03_3 =  8.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___61828_03_3 =  7.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,1-diethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    2721-38-2
! inchikey: DPGQSDLGKGLNHC-UHFFFAOYSA-N
Hvpx____2721_38_2 =  8.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2721_38_2 =  5.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2721_38_2 =  7.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-2-diethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    932-39-8
! inchikey: JKMYLSLBFNMSFP-DTORHVGOSA-N
Hvpx_____932_39_8 =  8.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____932_39_8 =  6.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____932_39_8 =  8.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-2-diethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    932-40-1
! inchikey: JKMYLSLBFNMSFP-RKDXNWHRSA-N
Hvpx_____932_40_1 =  7.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____932_40_1 =  7.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____932_40_1 =  8.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it cis}-3-diethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    62016-59-5
! inchikey: RUUVWUNHERVOAY-DTORHVGOSA-N
Hvpx___62016_59_5 =  8.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_59_5 =  6.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_59_5 =  8.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,{\it trans}-3-diethylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    62016-60-8
! inchikey: RUUVWUNHERVOAY-RKDXNWHRSA-N
Hvpx___62016_60_8 =  8.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_60_8 =  6.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_60_8 =  8.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  butylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    2040-95-1
! inchikey: ZAGHKONXGGSVDV-UHFFFAOYSA-N
Hvpx____2040_95_1 =  8.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2040_95_1 =  5.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2040_95_1 =  6.3E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____2040_95_1 =  8.4E+04                                  ! [atm] type: ?, ref: 2440

! species:  isobutylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    3788-32-7
! inchikey: DPUYDFJBHDYVQM-UHFFFAOYSA-N
Hvpx____3788_32_7 =  7.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3788_32_7 =  6.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3788_32_7 =  6.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it sec}-butylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    4850-32-2
! inchikey: DCEHVBLXWODXCW-UHFFFAOYSA-N
Hvpx____4850_32_2 =  8.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4850_32_2 =  5.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4850_32_2 =  6.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it tert}-butylcyclopentane
! formula:  C_9H_{18}
! trivial:  
! casrn:    3875-52-3
! inchikey: BFWVYBVSRYIDHI-UHFFFAOYSA-N
Hvpx____3875_52_3 =  8.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3875_52_3 =  7.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3875_52_3 =  7.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  octahydro-1H-indene
! formula:  C_9H_{16}
! trivial:  
! casrn:    496-10-6
! inchikey: BNRNAKTVFSZAFA-UHFFFAOYSA-N
Hvpx_____496_10_6 =  6.2E+03                                  ! [atm] type: Q, ref: 2521

! species:  butylcyclohexane
! formula:  C_{10}H_{20}
! trivial:  
! casrn:    1678-93-9
! inchikey: GGBJHURWWWLEQH-UHFFFAOYSA-N
Hvpx____1678_93_9 =  7.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1678_93_9 =  6.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1678_93_9 =  5.9E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____1678_93_9 =  7.5E+04                                  ! [atm] type: ?, ref: 2440

! species:  pentylcyclopentane
! formula:  C_{10}H_{20}
! trivial:  
! casrn:    3741-00-2
! inchikey: HPQURZRDYMUHJI-UHFFFAOYSA-N
Hvpx____3741_00_2 =  1.0E+05                                  ! [atm] type: L, ref: 3673
Hvpx____3741_00_2 =  1.0E+05                                  ! [atm] type: L, ref: 479
Hvpx____3741_00_2 =  1.0E+05                                  ! [atm] type: V, ref: 2611
Hvpx____3741_00_2 =  1.0E+05                                  ! [atm] type: V, ref: 635
Hvpx____3741_00_2 =  1.0E+05                                  ! [atm] type: V, ref: 2478
Hvpx____3741_00_2 =  1.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3741_00_2 =  6.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3741_00_2 =  7.0E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____3741_00_2 =  4.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____3741_00_2 =  4.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx____3741_00_2 =  7.8E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____3741_00_2 =  5.9E+04                                  ! [atm] type: Q, ref: 2521
Hvpx____3741_00_2 =  9.4E+04                                  ! [atm] type: Q, ref: 2535
Hvpx____3741_00_2 =  3.5E+04                                  ! [atm] type: Q, ref: 984
Hvpx____3741_00_2 =  1.0E+05                                  ! [atm] type: ?, ref: 789

! species:  decahydronaphthalene
! formula:  C_{10}H_{18}
! trivial:  decalin
! casrn:    91-17-8
! inchikey: NNBZCPXTIHJBJL-UHFFFAOYSA-N
Hvpx______91_17_8 =  7.6E+03 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______91_17_8 =  2.6E+04                                  ! [atm] type: V, ref: 3586
Hvpx______91_17_8 =  2.6E+04                                  ! [atm] type: V, ref: 3088
Hvpx______91_17_8 =  1.2E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______91_17_8 =  8.3E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______91_17_8 =  2.6E+04                                  ! [atm] type: Q, ref: 2535
Hvpx______91_17_8 =  8.3E+03                                  ! [atm] type: Q, ref: 3764

! species:  ($Z$)-bicyclo[4.4.0]decane
! formula:  C_{10}H_{18}
! trivial:  {\it cis}-decahydronaphthalene; {\it cis}-decalin
! casrn:    493-01-6
! inchikey: NNBZCPXTIHJBJL-AOOOYVTPSA-N
Hvpx_____493_01_6 =  1.3E+03                                  ! [atm] type: V, ref: 635
Hvpx_____493_01_6 =  8.9E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____493_01_6 =  1.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____493_01_6 =  6.7E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____493_01_6 =  8.9E+03                                  ! [atm] type: ?, ref: 2440

! species:  ($E$)-bicyclo[4.4.0]decane
! formula:  C_{10}H_{18}
! trivial:  {\it trans}-decahydronaphthalene; {\it trans}-decalin
! casrn:    493-02-7
! inchikey: NNBZCPXTIHJBJL-MGCOHNPYSA-N
Hvpx_____493_02_7 =  2.0E+03                                  ! [atm] type: V, ref: 635
Hvpx_____493_02_7 =  1.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____493_02_7 =  2.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____493_02_7 =  6.7E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____493_02_7 =  1.4E+04                                  ! [atm] type: ?, ref: 2440

! species:  2,6,6-trimethylbicyclo[3.1.1]heptane
! formula:  C_{10}H_{18}
! trivial:  dihydropinene
! casrn:    473-55-2
! inchikey: XOKSLPVRUOBDEW-UHFFFAOYSA-N
Hvpx_____473_55_2 =  1.9E+04                                  ! [atm] type: Q, ref: 3088

! species:  tricyclene
! formula:  C_{10}H_{16}
! trivial:  
! casrn:    508-32-7
! inchikey: RRBYUSWBLVXTQN-UHFFFAOYSA-N
Hvpx_____508_32_7 =  1.1E+04                                  ! [atm] type: L, ref: 3673

! species:  hexylcyclopentane
! formula:  C_{11}H_{22}
! trivial:  
! casrn:    4457-00-5
! inchikey: LKHGKBBAJAFMSQ-UHFFFAOYSA-N
Hvpx____4457_00_5 =  1.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4457_00_5 =  8.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4457_00_5 =  8.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  pentylcyclohexane
! formula:  C_{11}H_{22}
! trivial:  
! casrn:    4292-92-6
! inchikey: HLTMUYBTNSVOFY-UHFFFAOYSA-N
Hvpx____4292_92_6 =  7.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4292_92_6 =  8.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4292_92_6 =  6.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  cyclododecane
! formula:  C_{12}H_{24}
! trivial:  
! casrn:    294-62-2
! inchikey: DDTBPAQBQHZRDW-UHFFFAOYSA-N
Hvpx_____294_62_2 =  8.5E+04                                  ! [atm] type: Q, ref: 3088

! species:  heptylcyclopentane
! formula:  C_{12}H_{24}
! trivial:  
! casrn:    5617-42-5
! inchikey: BOFNAOHMSHEKQL-UHFFFAOYSA-N
Hvpx____5617_42_5 =  8.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5617_42_5 =  5.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____5617_42_5 =  7.4E+04                                  ! [atm] type: Q, ref: 3579

! species:  hexylcyclohexane
! formula:  C_{12}H_{24}
! trivial:  
! casrn:    4292-75-5
! inchikey: QHWAQXOSHHKCFK-UHFFFAOYSA-N
Hvpx____4292_75_5 =  6.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4292_75_5 =  7.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4292_75_5 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,1'-bicyclohexyl
! formula:  C_{12}H_{22}
! trivial:  
! casrn:    92-51-3
! inchikey: WVIIMZNLDWSIRH-UHFFFAOYSA-N
Hvpx______92_51_3 =  1.8E+04                                  ! [atm] type: Q, ref: 2521

! species:  heptylcyclohexane
! formula:  C_{13}H_{26}
! trivial:  
! casrn:    5617-41-4
! inchikey: MSTLSCNJAHAQNU-UHFFFAOYSA-N
Hvpx____5617_41_4 =  3.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5617_41_4 =  4.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____5617_41_4 =  3.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  octylcyclopentane
! formula:  C_{13}H_{26}
! trivial:  
! casrn:    1795-20-6
! inchikey: HARXDULSBROLME-UHFFFAOYSA-N
Hvpx____1795_20_6 =  5.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1795_20_6 =  3.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1795_20_6 =  5.4E+04                                  ! [atm] type: Q, ref: 3579

! species:  octylcyclohexane
! formula:  C_{14}H_{28}
! trivial:  
! casrn:    1795-15-9
! inchikey: FBXWCEKQCVOOLT-UHFFFAOYSA-N
Hvpx____1795_15_9 =  1.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1795_15_9 =  2.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1795_15_9 =  1.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  nonylcyclopentane
! formula:  C_{14}H_{28}
! trivial:  
! casrn:    2882-98-6
! inchikey: GDCYEUOAZVKNHT-UHFFFAOYSA-N
Hvpx____2882_98_6 =  2.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2882_98_6 =  2.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2882_98_6 =  3.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  octahydro-1,1,2,3,3-pentamethyl-1H-indene
! formula:  C_{14}H_{26}
! trivial:  
! casrn:    33704-60-8
! inchikey: TUALLFJCLUYJEN-UHFFFAOYSA-N
Hvpx___33704_60_8 =  6.0E+04                                  ! [atm] type: Q, ref: 2995
Hvpx___33704_60_8 =  4.9E+05                                  ! [atm] type: Q, ref: 2995
Hvpx___33704_60_8 =  8.3E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___33704_60_8 =  1.6E+04                                  ! [atm] type: Q, ref: 2995

! species:  nonylcyclohexane
! formula:  C_{15}H_{30}
! trivial:  
! casrn:    2883-02-5
! inchikey: CLMFECCMAVQYQA-UHFFFAOYSA-N
Hvpx____2883_02_5 =  6.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2883_02_5 =  2.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2883_02_5 =  6.3E+03                                  ! [atm] type: Q, ref: 3579

! species:  decylcyclopentane
! formula:  C_{15}H_{30}
! trivial:  
! casrn:    1795-21-7
! inchikey: WOUVLFFZQCUYOL-UHFFFAOYSA-N
Hvpx____1795_21_7 =  8.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1795_21_7 =  2.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1795_21_7 =  1.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  decylcyclohexane
! formula:  C_{16}H_{32}
! trivial:  
! casrn:    1795-16-0
! inchikey: STWFZICHPLEOIC-UHFFFAOYSA-N
Hvpx____1795_16_0 =  1.5E+03                                  ! [atm] type: ?, ref: 2440

! species:  1,1'-(2-methylpentane-2,4-diyl)dicyclohexane
! formula:  C_{18}H_{34}
! trivial:  
! casrn:    38970-72-8
! inchikey: XUVKLBIJXLIPDZ-UHFFFAOYSA-N
Hvpx___38970_72_8 =  1.9E+05                                  ! [atm] type: Q, ref: 2995
Hvpx___38970_72_8 =  2.6E+05                                  ! [atm] type: Q, ref: 2995
Hvpx___38970_72_8 =  5.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___38970_72_8 =  2.8E+04                                  ! [atm] type: Q, ref: 2995

! species:  1,1':3',1''-tercyclohexane
! formula:  C_{18}H_{32}
! trivial:  
! casrn:    1706-50-9
! inchikey: JBQRJHVXZMSLNH-UHFFFAOYSA-N
Hvpx____1706_50_9 =  8.2E+04                                  ! [atm] type: Q, ref: 2995
Hvpx____1706_50_9 =  3.6E+04                                  ! [atm] type: Q, ref: 2995
Hvpx____1706_50_9 =  3.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____1706_50_9 =  6.0E+03                                  ! [atm] type: Q, ref: 2995

! species:  ethene
! formula:  C_2H_4
! trivial:  ethylene
! casrn:    74-85-1
! inchikey: VGGSQFUCUMXWEO-UHFFFAOYSA-N
Hvpx______74_85_1 =  9.3E+03 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_85_1 =  9.3E+03 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_85_1 =  9.3E+03 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______74_85_1 =  9.3E+03 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______74_85_1 =  1.1E+04 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______74_85_1 =  1.2E+04 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3869
Hvpx______74_85_1 =  1.2E+04                                  ! [atm] type: L, ref: 479
Hvpx______74_85_1 =  1.2E+04 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______74_85_1 =  1.6E+04                                  ! [atm] type: L, ref: 2441
Hvpx______74_85_1 =  1.2E+04 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx______74_85_1 =  1.1E+04 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx______74_85_1 =  1.1E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______74_85_1 =  1.2E+04                                  ! [atm] type: M, ref: 3924
Hvpx______74_85_1 =  1.2E+04 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3783
Hvpx______74_85_1 =  1.1E+04                                  ! [atm] type: M, ref: 3702
Hvpx______74_85_1 =  1.6E+04                                  ! [atm] type: M, ref: 3715
Hvpx______74_85_1 =  1.1E+04 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 862
Hvpx______74_85_1 =  1.2E+04                                  ! [atm] type: V, ref: 642
Hvpx______74_85_1 =  1.2E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx______74_85_1 =  1.8E+04                                  ! [atm] type: T, ref: 766
Hvpx______74_85_1 =  1.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______74_85_1 =  1.2E+04                                  ! [atm] type: C, ref: 529
Hvpx______74_85_1 =  1.6E+04                                  ! [atm] type: Q, ref: 3728
Hvpx______74_85_1 =  2.8E+04                                  ! [atm] type: Q, ref: 3730
Hvpx______74_85_1 =  1.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______74_85_1 =  2.6E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______74_85_1 =  2.1E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______74_85_1 =  6.6E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______74_85_1 =  1.2E+04                                  ! [atm] type: Q, ref: 3689
Hvpx______74_85_1 =  2.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx______74_85_1 =  7.0E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______74_85_1 =  2.2E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______74_85_1 =  5.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______74_85_1 =  8.0E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______74_85_1 =  1.9E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______74_85_1 =  5.4E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______74_85_1 =  1.2E+04                                  ! [atm] type: Q, ref: 2535
Hvpx______74_85_1 =  6.6E+03                                  ! [atm] type: Q, ref: 2543
Hvpx______74_85_1 =  3.6E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______74_85_1 =  5.8E+03                                  ! [atm] type: Q, ref: 1162
Hvpx______74_85_1 =  1.1E+04                                  ! [atm] type: Q, ref: 2482
Hvpx______74_85_1 =  1.3E+04                                  ! [atm] type: ?, ref: 3586
Hvpx______74_85_1 =  1.1E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______74_85_1 =  1.1E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx______74_85_1 =  1.4E+04                                  ! [atm] type: ?, ref: 3614
Hvpx______74_85_1 =  1.1E+04 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx______74_85_1 =  1.2E+04                                  ! [atm] type: ?, ref: 789
Hvpx______74_85_1 =  1.2E+04                                  ! [atm] type: ?, ref: 1500
Hvpx______74_85_1 =  1.1E+04                                  ! [atm] type: ?, ref: 523

! species:  propene
! formula:  C_3H_6
! trivial:  propylene
! casrn:    115-07-1
! inchikey: QQONPFPTGQHPMA-UHFFFAOYSA-N
Hvpx_____115_07_1 =  9.8E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____115_07_1 =  1.2E+04                                  ! [atm] type: L, ref: 479
Hvpx_____115_07_1 =  7.5E+03 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____115_07_1 =  1.0E+04 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx_____115_07_1 =  1.0E+04 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx_____115_07_1 =  1.1E+04                                  ! [atm] type: M, ref: 3924
Hvpx_____115_07_1 =  1.2E+04                                  ! [atm] type: V, ref: 642
Hvpx_____115_07_1 =  1.2E+04                                  ! [atm] type: V, ref: 2550
Hvpx_____115_07_1 =  1.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____115_07_1 =  5.9E+03                                  ! [atm] type: C, ref: 529
Hvpx_____115_07_1 =  8.4E+03                                  ! [atm] type: Q, ref: 3728
Hvpx_____115_07_1 =  2.0E+04                                  ! [atm] type: Q, ref: 3730
Hvpx_____115_07_1 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____115_07_1 =  2.2E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_07_1 =  2.0E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_07_1 =  6.4E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_07_1 =  1.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____115_07_1 =  8.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____115_07_1 =  5.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____115_07_1 =  8.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____115_07_1 =  8.2E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____115_07_1 =  1.6E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____115_07_1 =  9.2E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____115_07_1 =  1.1E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____115_07_1 =  5.2E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____115_07_1 =  8.7E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____115_07_1 =  1.2E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____115_07_1 =  8.0E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____115_07_1 =  1.3E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____115_07_1 =  1.2E+04                                  ! [atm] type: Q, ref: 2550
Hvpx_____115_07_1 =  1.1E+04                                  ! [atm] type: ?, ref: 3586
Hvpx_____115_07_1 =  1.1E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____115_07_1 =  8.0E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx_____115_07_1 =  1.1E+04                                  ! [atm] type: ?, ref: 789
Hvpx_____115_07_1 =  1.3E+04                                  ! [atm] type: ?, ref: 1500

! species:  1-butene
! formula:  C_4H_8
! trivial:  
! casrn:    106-98-9
! inchikey: VXNZUUAINFGPBY-UHFFFAOYSA-N
Hvpx_____106_98_9 =  1.3E+04 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____106_98_9 =  4.2E+03 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____106_98_9 =  1.2E+04 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3612
Hvpx_____106_98_9 =  1.4E+04                                  ! [atm] type: M, ref: 3924
Hvpx_____106_98_9 =  1.4E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____106_98_9 =  1.4E+04                                  ! [atm] type: V, ref: 635
Hvpx_____106_98_9 =  1.4E+04                                  ! [atm] type: V, ref: 642
Hvpx_____106_98_9 =  1.3E+04                                  ! [atm] type: V, ref: 2550
Hvpx_____106_98_9 =  1.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_98_9 =  1.0E+04                                  ! [atm] type: Q, ref: 3728
Hvpx_____106_98_9 =  1.5E+04                                  ! [atm] type: Q, ref: 3730
Hvpx_____106_98_9 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_98_9 =  2.4E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_98_9 =  1.7E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_98_9 =  6.4E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_98_9 =  1.4E+04                                  ! [atm] type: Q, ref: 3689
Hvpx_____106_98_9 =  1.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_98_9 =  1.1E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_98_9 =  8.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_98_9 =  1.1E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_98_9 =  1.2E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____106_98_9 =  1.6E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_98_9 =  9.6E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_98_9 =  9.1E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____106_98_9 =  1.4E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_98_9 =  7.7E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____106_98_9 =  1.2E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_98_9 =  9.8E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_98_9 =  1.1E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____106_98_9 =  1.6E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____106_98_9 =  1.3E+04                                  ! [atm] type: Q, ref: 2550
Hvpx_____106_98_9 =  1.3E+04                                  ! [atm] type: ?, ref: 3586
Hvpx_____106_98_9 =  1.4E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____106_98_9 =  1.4E+04                                  ! [atm] type: ?, ref: 789
Hvpx_____106_98_9 =  1.4E+04                                  ! [atm] type: ?, ref: 1500

! species:  2-butene
! formula:  C_4H_8
! trivial:  
! casrn:    107-01-7
! inchikey: IAQRGUVFOMOMEM-UHFFFAOYSA-N
Hvpx_____107_01_7 =  1.1E+04                                  ! [atm] type: Q, ref: 2521

! species:  {\it cis}-2-butene
! formula:  C_4H_8
! trivial:  
! casrn:    590-18-1
! inchikey: IAQRGUVFOMOMEM-ARJAWSKDSA-N
Hvpx_____590_18_1 =  9.9E+03                                  ! [atm] type: V, ref: 2550
Hvpx_____590_18_1 =  1.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____590_18_1 =  1.5E+04                                  ! [atm] type: Q, ref: 3730
Hvpx_____590_18_1 =  1.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____590_18_1 =  1.7E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____590_18_1 =  1.0E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____590_18_1 =  9.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____590_18_1 =  1.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____590_18_1 =  9.6E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____590_18_1 =  1.2E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____590_18_1 =  7.9E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____590_18_1 =  6.0E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____590_18_1 =  9.2E+03                                  ! [atm] type: Q, ref: 2550
Hvpx_____590_18_1 =  1.3E+04                                  ! [atm] type: ?, ref: 3586
Hvpx_____590_18_1 =  1.3E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it trans}-2-butene
! formula:  C_4H_8
! trivial:  
! casrn:    624-64-6
! inchikey: IAQRGUVFOMOMEM-ONEGZZNKSA-N
Hvpx_____624_64_6 =  1.4E+04                                  ! [atm] type: V, ref: 2550
Hvpx_____624_64_6 =  1.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____624_64_6 =  5.4E+03                                  ! [atm] type: Q, ref: 3728
Hvpx_____624_64_6 =  1.5E+04                                  ! [atm] type: Q, ref: 3730
Hvpx_____624_64_6 =  1.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____624_64_6 =  1.7E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____624_64_6 =  1.0E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____624_64_6 =  9.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____624_64_6 =  2.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____624_64_6 =  9.6E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____624_64_6 =  1.2E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____624_64_6 =  6.4E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____624_64_6 =  6.9E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____624_64_6 =  1.0E+04                                  ! [atm] type: Q, ref: 2550
Hvpx_____624_64_6 =  1.2E+04                                  ! [atm] type: ?, ref: 3586
Hvpx_____624_64_6 =  1.3E+04                                  ! [atm] type: ?, ref: 2440

! species:  2-methylpropene
! formula:  C_4H_8
! trivial:  isobutene
! casrn:    115-11-7
! inchikey: VQTUBCCKSQIDNK-UHFFFAOYSA-N
Hvpx_____115_11_7 =  9.5E+03 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____115_11_7 =  9.7E+03 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____115_11_7 =  1.1E+04                                  ! [atm] type: M, ref: 3924
Hvpx_____115_11_7 =  1.2E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____115_11_7 =  1.2E+04                                  ! [atm] type: V, ref: 635
Hvpx_____115_11_7 =  1.2E+04                                  ! [atm] type: V, ref: 642
Hvpx_____115_11_7 =  1.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____115_11_7 =  9.0E+03                                  ! [atm] type: Q, ref: 3728
Hvpx_____115_11_7 =  1.5E+04                                  ! [atm] type: Q, ref: 3730
Hvpx_____115_11_7 =  1.1E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____115_11_7 =  3.4E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_11_7 =  1.4E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_11_7 =  5.8E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_11_7 =  2.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____115_11_7 =  1.1E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____115_11_7 =  5.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____115_11_7 =  1.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____115_11_7 =  8.9E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____115_11_7 =  6.3E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____115_11_7 =  1.2E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____115_11_7 =  6.6E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____115_11_7 =  1.2E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____115_11_7 =  8.4E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____115_11_7 =  1.1E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____115_11_7 =  1.0E+04                                  ! [atm] type: Q, ref: 3764
Hvpx_____115_11_7 =  1.2E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____115_11_7 =  2.0E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____115_11_7 =  1.2E+04                                  ! [atm] type: ?, ref: 3586
Hvpx_____115_11_7 =  1.1E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____115_11_7 =  9.7E+03 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx_____115_11_7 =  1.1E+04                                  ! [atm] type: ?, ref: 789

! species:  1-pentene
! formula:  C_5H_{10}
! trivial:  
! casrn:    109-67-1
! inchikey: YWAKXRMUMFPDSH-UHFFFAOYSA-N
Hvpx_____109_67_1 =  1.8E+04                                  ! [atm] type: L, ref: 3518
Hvpx_____109_67_1 =  2.3E+04                                  ! [atm] type: L, ref: 3673
Hvpx_____109_67_1 =  2.2E+04                                  ! [atm] type: L, ref: 479
Hvpx_____109_67_1 =  2.2E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____109_67_1 =  2.2E+04                                  ! [atm] type: V, ref: 3088
Hvpx_____109_67_1 =  2.2E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____109_67_1 =  2.2E+04                                  ! [atm] type: V, ref: 635
Hvpx_____109_67_1 =  2.2E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____109_67_1 =  3.0E+04                                  ! [atm] type: V, ref: 2388
Hvpx_____109_67_1 =  2.2E+04                                  ! [atm] type: V, ref: 642
Hvpx_____109_67_1 =  2.0E+04                                  ! [atm] type: V, ref: 3924
Hvpx_____109_67_1 =  2.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_67_1 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_67_1 =  3.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_67_1 =  2.3E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_67_1 =  7.2E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_67_1 =  1.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____109_67_1 =  1.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_67_1 =  1.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_67_1 =  1.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_67_1 =  1.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____109_67_1 =  2.1E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_67_1 =  1.2E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_67_1 =  1.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____109_67_1 =  2.2E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_67_1 =  1.1E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____109_67_1 =  1.5E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_67_1 =  9.2E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_67_1 =  1.4E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____109_67_1 =  2.0E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____109_67_1 =  2.2E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____109_67_1 =  2.2E+04                                  ! [atm] type: ?, ref: 789
Hvpx_____109_67_1 =  2.3E+04                                  ! [atm] type: ?, ref: 1500

! species:  2-pentene
! formula:  C_5H_{10}
! trivial:  
! casrn:    109-68-2
! inchikey: QMMOXUPEWRXHJS-UHFFFAOYSA-N
Hvpx_____109_68_2 =  1.3E+04                                  ! [atm] type: L, ref: 3673
Hvpx_____109_68_2 =  1.3E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____109_68_2 =  1.2E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____109_68_2 =  1.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_68_2 =  1.5E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_68_2 =  1.2E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_68_2 =  8.9E+03                                  ! [atm] type: Q, ref: 3764

! species:  {\it cis}-2-pentene
! formula:  C_5H_{10}
! trivial:  
! casrn:    627-20-3
! inchikey: QMMOXUPEWRXHJS-HYXAFXHYSA-N
Hvpx_____627_20_3 =  1.2E+04                                  ! [atm] type: L, ref: 3518
Hvpx_____627_20_3 =  1.2E+04                                  ! [atm] type: L, ref: 479
Hvpx_____627_20_3 =  1.2E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____627_20_3 =  1.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____627_20_3 =  1.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____627_20_3 =  2.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____627_20_3 =  1.5E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____627_20_3 =  9.5E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____627_20_3 =  1.2E+04                                  ! [atm] type: Q, ref: 3088
Hvpx_____627_20_3 =  2.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____627_20_3 =  1.5E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____627_20_3 =  1.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____627_20_3 =  1.2E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____627_20_3 =  7.5E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____627_20_3 =  1.2E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____627_20_3 =  1.2E+04                                  ! [atm] type: ?, ref: 789

! species:  {\it trans}-2-pentene
! formula:  C_5H_{10}
! trivial:  
! casrn:    646-04-8
! inchikey: QMMOXUPEWRXHJS-HWKANZROSA-N
Hvpx_____646_04_8 =  1.3E+04                                  ! [atm] type: L, ref: 3518
Hvpx_____646_04_8 =  1.3E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____646_04_8 =  1.3E+04                                  ! [atm] type: V, ref: 642
Hvpx_____646_04_8 =  1.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____646_04_8 =  1.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____646_04_8 =  2.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____646_04_8 =  1.5E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____646_04_8 =  9.3E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____646_04_8 =  1.8E+04                                  ! [atm] type: Q, ref: 3088
Hvpx_____646_04_8 =  2.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____646_04_8 =  1.5E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____646_04_8 =  5.4E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____646_04_8 =  8.1E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____646_04_8 =  1.5E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____646_04_8 =  1.4E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____646_04_8 =  2.0E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____646_04_8 =  1.3E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____646_04_8 =  1.3E+04                                  ! [atm] type: ?, ref: 789

! species:  2-methyl-1-butene
! formula:  C_5H_{10}
! trivial:  
! casrn:    563-46-2
! inchikey: MHNNAWXXUZQSNM-UHFFFAOYSA-N
Hvpx_____563_46_2 =  2.4E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____563_46_2 =  2.4E+04                                  ! [atm] type: V, ref: 3088
Hvpx_____563_46_2 =  1.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____563_46_2 =  1.1E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____563_46_2 =  3.6E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____563_46_2 =  1.2E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____563_46_2 =  6.3E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____563_46_2 =  2.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____563_46_2 =  1.5E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____563_46_2 =  1.3E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____563_46_2 =  1.1E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____563_46_2 =  1.6E+04                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-2-butene
! formula:  C_5H_{10}
! trivial:  
! casrn:    513-35-9
! inchikey: BKOOMYPCSUNDGP-UHFFFAOYSA-N
Hvpx_____513_35_9 =  9.6E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____513_35_9 =  8.1E+03 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____513_35_9 =  1.2E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____513_35_9 =  7.4E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____513_35_9 =  1.2E+04                                  ! [atm] type: V, ref: 642
Hvpx_____513_35_9 =  1.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____513_35_9 =  3.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____513_35_9 =  2.6E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____513_35_9 =  9.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____513_35_9 =  8.6E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____513_35_9 =  3.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____513_35_9 =  1.3E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____513_35_9 =  7.3E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____513_35_9 =  5.6E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____513_35_9 =  1.2E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____513_35_9 =  1.0E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____513_35_9 =  1.1E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____513_35_9 =  9.4E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____513_35_9 =  1.5E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____513_35_9 =  2.4E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____513_35_9 =  1.6E+04                                  ! [atm] type: ?, ref: 2440

! species:  3-methyl-1-butene
! formula:  C_5H_{10}
! trivial:  
! casrn:    563-45-1
! inchikey: YHQXBTXEYZIYOV-UHFFFAOYSA-N
Hvpx_____563_45_1 =  2.9E+04                                  ! [atm] type: L, ref: 3673
Hvpx_____563_45_1 =  3.0E+04                                  ! [atm] type: L, ref: 479
Hvpx_____563_45_1 =  2.9E+04                                  ! [atm] type: M, ref: 3924
Hvpx_____563_45_1 =  3.0E+04                                  ! [atm] type: V, ref: 3088
Hvpx_____563_45_1 =  3.0E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____563_45_1 =  3.0E+04                                  ! [atm] type: V, ref: 635
Hvpx_____563_45_1 =  3.0E+04                                  ! [atm] type: V, ref: 642
Hvpx_____563_45_1 =  2.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____563_45_1 =  2.6E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____563_45_1 =  4.0E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____563_45_1 =  7.9E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____563_45_1 =  2.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____563_45_1 =  1.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____563_45_1 =  2.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____563_45_1 =  1.4E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____563_45_1 =  1.5E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____563_45_1 =  3.7E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____563_45_1 =  1.5E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____563_45_1 =  7.5E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____563_45_1 =  3.0E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____563_45_1 =  2.1E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____563_45_1 =  1.5E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____563_45_1 =  9.6E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____563_45_1 =  1.5E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____563_45_1 =  2.4E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____563_45_1 =  2.9E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____563_45_1 =  2.9E+04                                  ! [atm] type: ?, ref: 789

! species:  1-hexene
! formula:  C_6H_{12}
! trivial:  
! casrn:    592-41-6
! inchikey: LIKMAJRDDDTEIG-UHFFFAOYSA-N
Hvpx_____592_41_6 =  2.2E+04                                  ! [atm] type: L, ref: 3518
Hvpx_____592_41_6 =  2.4E+04 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____592_41_6 =  2.3E+04                                  ! [atm] type: L, ref: 479
Hvpx_____592_41_6 =  2.3E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____592_41_6 =  2.3E+04                                  ! [atm] type: V, ref: 3088
Hvpx_____592_41_6 =  2.3E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____592_41_6 =  2.3E+04                                  ! [atm] type: V, ref: 635
Hvpx_____592_41_6 =  2.3E+04                                  ! [atm] type: V, ref: 2439
Hvpx_____592_41_6 =  2.3E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____592_41_6 =  2.3E+04                                  ! [atm] type: V, ref: 642
Hvpx_____592_41_6 =  2.0E+04                                  ! [atm] type: V, ref: 3924
Hvpx_____592_41_6 =  2.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____592_41_6 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____592_41_6 =  3.9E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____592_41_6 =  3.3E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____592_41_6 =  7.7E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____592_41_6 =  1.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____592_41_6 =  2.2E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____592_41_6 =  2.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____592_41_6 =  2.2E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____592_41_6 =  2.4E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____592_41_6 =  3.0E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____592_41_6 =  1.5E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____592_41_6 =  1.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____592_41_6 =  2.2E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____592_41_6 =  2.2E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____592_41_6 =  2.0E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____592_41_6 =  8.9E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____592_41_6 =  1.8E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____592_41_6 =  2.6E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____592_41_6 =  1.6E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____592_41_6 =  1.6E+04                                  ! [atm] type: ?, ref: 789
Hvpx_____592_41_6 =  2.0E+04                                  ! [atm] type: ?, ref: 1500

! species:  {\it cis}-2-hexene
! formula:  C_6H_{12}
! trivial:  
! casrn:    7688-21-3
! inchikey: RYPKRALMXUUNKS-HYXAFXHYSA-N
Hvpx____7688_21_3 =  2.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7688_21_3 =  2.4E+03                                  ! [atm] type: Q, ref: 3409
Hvpx____7688_21_3 =  2.3E+04                                  ! [atm] type: Q, ref: 3409
Hvpx____7688_21_3 =  1.1E+04                                  ! [atm] type: Q, ref: 3409
Hvpx____7688_21_3 =  2.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7688_21_3 =  2.4E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____7688_21_3 =  9.4E+04                                  ! [atm] type: Q, ref: 3512
Hvpx____7688_21_3 =  1.8E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____7688_21_3 =  2.1E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it trans}-2-hexene
! formula:  C_6H_{12}
! trivial:  
! casrn:    4050-45-7
! inchikey: RYPKRALMXUUNKS-HWKANZROSA-N
Hvpx____4050_45_7 =  2.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4050_45_7 =  2.4E+03                                  ! [atm] type: Q, ref: 3409
Hvpx____4050_45_7 =  2.3E+04                                  ! [atm] type: Q, ref: 3409
Hvpx____4050_45_7 =  1.1E+04                                  ! [atm] type: Q, ref: 3409
Hvpx____4050_45_7 =  2.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4050_45_7 =  2.4E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____4050_45_7 =  9.7E+04                                  ! [atm] type: Q, ref: 3512
Hvpx____4050_45_7 =  1.7E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____4050_45_7 =  2.1E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it cis}-3-hexene
! formula:  C_6H_{12}
! trivial:  
! casrn:    7642-09-3
! inchikey: ZQDPJFUHLCOCRG-WAYWQWQTSA-N
Hvpx____7642_09_3 =  2.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7642_09_3 =  2.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7642_09_3 =  2.4E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____7642_09_3 =  1.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____7642_09_3 =  1.6E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____7642_09_3 =  2.0E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it trans}-3-hexene
! formula:  C_6H_{12}
! trivial:  
! casrn:    13269-52-8
! inchikey: ZQDPJFUHLCOCRG-AATRIKPKSA-N
Hvpx___13269_52_8 =  2.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13269_52_8 =  2.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___13269_52_8 =  2.4E+04                                  ! [atm] type: Q, ref: 3579
Hvpx___13269_52_8 =  1.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___13269_52_8 =  1.7E+04                                  ! [atm] type: Q, ref: 3731
Hvpx___13269_52_8 =  2.0E+04                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-1-pentene
! formula:  C_6H_{12}
! trivial:  
! casrn:    763-29-1
! inchikey: WWUVJRULCWHUSA-UHFFFAOYSA-N
Hvpx_____763_29_1 =  1.7E+04                                  ! [atm] type: L, ref: 3673
Hvpx_____763_29_1 =  1.5E+04                                  ! [atm] type: L, ref: 479
Hvpx_____763_29_1 =  1.5E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____763_29_1 =  1.5E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____763_29_1 =  1.5E+04                                  ! [atm] type: V, ref: 635
Hvpx_____763_29_1 =  1.5E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____763_29_1 =  1.6E+04                                  ! [atm] type: V, ref: 1910
Hvpx_____763_29_1 =  1.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____763_29_1 =  1.1E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____763_29_1 =  2.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____763_29_1 =  2.2E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____763_29_1 =  1.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____763_29_1 =  2.2E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____763_29_1 =  2.3E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____763_29_1 =  2.5E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____763_29_1 =  9.4E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____763_29_1 =  1.5E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____763_29_1 =  1.2E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____763_29_1 =  2.6E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____763_29_1 =  2.9E+04                                  ! [atm] type: Q, ref: 984
Hvpx_____763_29_1 =  1.5E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____763_29_1 =  1.5E+04                                  ! [atm] type: ?, ref: 789

! species:  3-methyl-1-pentene
! formula:  C_6H_{12}
! trivial:  
! casrn:    760-20-3
! inchikey: LDTAOIUHUHHCMU-UHFFFAOYSA-N
Hvpx_____760_20_3 =  2.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____760_20_3 =  2.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____760_20_3 =  2.2E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____760_20_3 =  8.9E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____760_20_3 =  2.6E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____760_20_3 =  1.9E+04                                  ! [atm] type: ?, ref: 2440

! species:  4-methyl-1-pentene
! formula:  C_6H_{12}
! trivial:  
! casrn:    691-37-2
! inchikey: WSSSPWUEQFSQQG-UHFFFAOYSA-N
Hvpx_____691_37_2 =  3.5E+04                                  ! [atm] type: L, ref: 3673
Hvpx_____691_37_2 =  3.5E+04                                  ! [atm] type: L, ref: 479
Hvpx_____691_37_2 =  3.5E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____691_37_2 =  3.5E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____691_37_2 =  3.5E+04                                  ! [atm] type: V, ref: 635
Hvpx_____691_37_2 =  3.5E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____691_37_2 =  3.4E+04                                  ! [atm] type: V, ref: 642
Hvpx_____691_37_2 =  3.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____691_37_2 =  9.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____691_37_2 =  2.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____691_37_2 =  2.2E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____691_37_2 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____691_37_2 =  2.2E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____691_37_2 =  2.2E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____691_37_2 =  4.7E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____691_37_2 =  1.6E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____691_37_2 =  7.5E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____691_37_2 =  3.5E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____691_37_2 =  2.0E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____691_37_2 =  2.0E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____691_37_2 =  9.4E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____691_37_2 =  2.0E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____691_37_2 =  3.0E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____691_37_2 =  3.5E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____691_37_2 =  3.5E+04                                  ! [atm] type: ?, ref: 789

! species:  2-methyl-2-pentene
! formula:  C_6H_{12}
! trivial:  
! casrn:    625-27-4
! inchikey: JMMZCWZIJXAGKW-UHFFFAOYSA-N
Hvpx_____625_27_4 =  2.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____625_27_4 =  3.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____625_27_4 =  2.2E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____625_27_4 =  6.9E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____625_27_4 =  1.1E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____625_27_4 =  2.0E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it cis}-3-methyl-2-pentene
! formula:  C_6H_{12}
! trivial:  
! casrn:    922-62-3
! inchikey: BEQGRRJLJLVQAQ-XQRVVYSFSA-N
Hvpx_____922_62_3 =  2.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____922_62_3 =  3.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____922_62_3 =  2.2E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____922_62_3 =  2.1E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it trans}-3-methyl-2-pentene
! formula:  C_6H_{12}
! trivial:  
! casrn:    616-12-6
! inchikey: BEQGRRJLJLVQAQ-GQCTYLIASA-N
Hvpx_____616_12_6 =  2.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____616_12_6 =  3.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____616_12_6 =  2.2E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____616_12_6 =  9.9E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____616_12_6 =  1.4E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____616_12_6 =  2.1E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it cis}-4-methyl-2-pentene
! formula:  C_6H_{12}
! trivial:  
! casrn:    691-38-3
! inchikey: LGAQJENWWYGFSN-PLNGDYQASA-N
Hvpx_____691_38_3 =  2.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____691_38_3 =  3.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____691_38_3 =  2.0E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____691_38_3 =  1.5E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____691_38_3 =  1.6E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____691_38_3 =  1.9E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it trans}-4-methyl-2-pentene
! formula:  C_6H_{12}
! trivial:  
! casrn:    674-76-0
! inchikey: LGAQJENWWYGFSN-SNAWJCMRSA-N
Hvpx_____674_76_0 =  2.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____674_76_0 =  3.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____674_76_0 =  2.0E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____674_76_0 =  1.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____674_76_0 =  1.8E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____674_76_0 =  1.9E+04                                  ! [atm] type: ?, ref: 2440

! species:  3-methylenepentane
! formula:  C_6H_{12}
! trivial:  2-ethyl-1-butene
! casrn:    760-21-4
! inchikey: RYKZRKKEYSRDNF-UHFFFAOYSA-N
Hvpx_____760_21_4 =  2.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____760_21_4 =  2.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____760_21_4 =  2.3E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____760_21_4 =  1.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____760_21_4 =  1.3E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____760_21_4 =  2.0E+04                                  ! [atm] type: ?, ref: 2440

! species:  2,3-dimethyl-1-butene
! formula:  C_6H_{12}
! trivial:  
! casrn:    563-78-0
! inchikey: OWWIWYDDISJUMY-UHFFFAOYSA-N
Hvpx_____563_78_0 =  2.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____563_78_0 =  3.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____563_78_0 =  1.9E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____563_78_0 =  3.2E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____563_78_0 =  9.0E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____563_78_0 =  2.9E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____563_78_0 =  1.9E+04                                  ! [atm] type: ?, ref: 2440

! species:  3,3-dimethyl-1-butene
! formula:  C_6H_{12}
! trivial:  
! casrn:    558-37-2
! inchikey: PKXHXOTZMFCXSH-UHFFFAOYSA-N
Hvpx_____558_37_2 =  1.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____558_37_2 =  3.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____558_37_2 =  2.1E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____558_37_2 =  1.0E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____558_37_2 =  5.3E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____558_37_2 =  1.9E+04                                  ! [atm] type: ?, ref: 2440

! species:  2,3-dimethyl-2-butene
! formula:  C_6H_{12}
! trivial:  
! casrn:    563-79-1
! inchikey: WGLLSSPDPJPLOR-UHFFFAOYSA-N
Hvpx_____563_79_1 =  2.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____563_79_1 =  3.8E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____563_79_1 =  4.9E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____563_79_1 =  9.9E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____563_79_1 =  4.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____563_79_1 =  2.0E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____563_79_1 =  1.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____563_79_1 =  2.0E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____563_79_1 =  2.1E+04                                  ! [atm] type: ?, ref: 2440

! species:  1-heptene
! formula:  C_7H_{14}
! trivial:  
! casrn:    592-76-7
! inchikey: ZGEGCLOFRBLKSE-UHFFFAOYSA-N
Hvpx_____592_76_7 =  2.8E+04                                  ! [atm] type: L, ref: 3518
Hvpx_____592_76_7 =  2.2E+04                                  ! [atm] type: L, ref: 3673
Hvpx_____592_76_7 =  2.3E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____592_76_7 =  2.3E+04                                  ! [atm] type: V, ref: 3088
Hvpx_____592_76_7 =  2.2E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____592_76_7 =  2.2E+04                                  ! [atm] type: V, ref: 635
Hvpx_____592_76_7 =  2.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____592_76_7 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____592_76_7 =  2.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____592_76_7 =  3.5E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____592_76_7 =  4.3E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____592_76_7 =  1.7E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____592_76_7 =  1.7E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____592_76_7 =  2.5E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____592_76_7 =  2.6E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____592_76_7 =  9.4E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____592_76_7 =  3.2E+04                                  ! [atm] type: Q, ref: 984
Hvpx_____592_76_7 =  2.2E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____592_76_7 =  2.2E+04                                  ! [atm] type: ?, ref: 789
Hvpx_____592_76_7 =  2.2E+04                                  ! [atm] type: ?, ref: 1500

! species:  2-heptene
! formula:  C_7H_{14}
! trivial:  
! casrn:    592-77-8
! inchikey: OTTZHAVKAVGASB-UHFFFAOYSA-N
Hvpx_____592_77_8 =  2.3E+04                                  ! [atm] type: L, ref: 3673
Hvpx_____592_77_8 =  2.3E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____592_77_8 =  1.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____592_77_8 =  2.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____592_77_8 =  2.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____592_77_8 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____592_77_8 =  3.2E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____592_77_8 =  2.1E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____592_77_8 =  2.6E+04                                  ! [atm] type: Q, ref: 2543

! species:  {\it cis}-2-heptene
! formula:  C_7H_{14}
! trivial:  
! casrn:    6443-92-1
! inchikey: OTTZHAVKAVGASB-HYXAFXHYSA-N
Hvpx____6443_92_1 =  2.3E+04                                  ! [atm] type: L, ref: 3518
Hvpx____6443_92_1 =  3.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6443_92_1 =  2.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____6443_92_1 =  3.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____6443_92_1 =  6.0E+04                                  ! [atm] type: Q, ref: 3512
Hvpx____6443_92_1 =  1.8E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____6443_92_1 =  3.6E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it trans}-2-heptene
! formula:  C_7H_{14}
! trivial:  
! casrn:    14686-13-6
! inchikey: OTTZHAVKAVGASB-HWKANZROSA-N
Hvpx___14686_13_6 =  2.3E+04                                  ! [atm] type: L, ref: 3518
Hvpx___14686_13_6 =  2.3E+04                                  ! [atm] type: L, ref: 479
Hvpx___14686_13_6 =  2.4E+04                                  ! [atm] type: V, ref: 3586
Hvpx___14686_13_6 =  2.3E+04                                  ! [atm] type: V, ref: 635
Hvpx___14686_13_6 =  2.3E+04                                  ! [atm] type: V, ref: 2478
Hvpx___14686_13_6 =  2.2E+04                                  ! [atm] type: V, ref: 642
Hvpx___14686_13_6 =  3.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14686_13_6 =  1.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx___14686_13_6 =  2.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___14686_13_6 =  3.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx___14686_13_6 =  2.2E+04                                  ! [atm] type: Q, ref: 2530
Hvpx___14686_13_6 =  1.2E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___14686_13_6 =  2.0E+04                                  ! [atm] type: Q, ref: 3731
Hvpx___14686_13_6 =  3.2E+04                                  ! [atm] type: Q, ref: 984
Hvpx___14686_13_6 =  2.3E+04                                  ! [atm] type: Q, ref: 1162
Hvpx___14686_13_6 =  3.6E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it cis}-3-heptene
! formula:  C_7H_{14}
! trivial:  
! casrn:    7642-10-6
! inchikey: WZHKDGJSXCTSCK-ALCCZGGFSA-N
Hvpx____7642_10_6 =  3.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7642_10_6 =  2.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7642_10_6 =  3.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____7642_10_6 =  1.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____7642_10_6 =  1.8E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____7642_10_6 =  3.4E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it trans}-3-heptene
! formula:  C_7H_{14}
! trivial:  
! casrn:    14686-14-7
! inchikey: WZHKDGJSXCTSCK-FNORWQNLSA-N
Hvpx___14686_14_7 =  3.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14686_14_7 =  2.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___14686_14_7 =  3.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx___14686_14_7 =  1.4E+05                                  ! [atm] type: Q, ref: 3512
Hvpx___14686_14_7 =  2.0E+04                                  ! [atm] type: Q, ref: 3731
Hvpx___14686_14_7 =  3.4E+04                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-1-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    6094-02-6
! inchikey: IRUDSQHLKGNCGF-UHFFFAOYSA-N
Hvpx____6094_02_6 =  3.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6094_02_6 =  3.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____6094_02_6 =  3.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____6094_02_6 =  1.7E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____6094_02_6 =  2.3E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____6094_02_6 =  3.2E+04                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-2-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    2738-19-4
! inchikey: BWEKDYGHDCHWEN-UHFFFAOYSA-N
Hvpx____2738_19_4 =  3.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2738_19_4 =  4.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2738_19_4 =  3.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-{\it cis}-3-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    15840-60-5
! inchikey: IQANHWBWTVLDTP-WAYWQWQTSA-N
Hvpx___15840_60_5 =  2.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15840_60_5 =  3.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___15840_60_5 =  3.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-{\it trans}-3-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    692-24-0
! inchikey: IQANHWBWTVLDTP-AATRIKPKSA-N
Hvpx_____692_24_0 =  2.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____692_24_0 =  3.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____692_24_0 =  3.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-1-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    3404-61-3
! inchikey: RITONZMLZWYPHW-UHFFFAOYSA-N
Hvpx____3404_61_3 =  2.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3404_61_3 =  2.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3404_61_3 =  3.1E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____3404_61_3 =  5.5E+04                                  ! [atm] type: Q, ref: 3512
Hvpx____3404_61_3 =  5.3E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____3404_61_3 =  2.8E+04                                  ! [atm] type: ?, ref: 2440

! species:  3-methyl-{\it cis}-2-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    10574-36-4
! inchikey: JZMUUSXQSKCZNO-ALCCZGGFSA-N
Hvpx___10574_36_4 =  3.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___10574_36_4 =  3.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___10574_36_4 =  3.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-{\it trans}-2-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    20710-38-7
! inchikey: JZMUUSXQSKCZNO-FNORWQNLSA-N
Hvpx___20710_38_7 =  3.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20710_38_7 =  4.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___20710_38_7 =  3.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-{\it cis}-3-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    4914-89-0
! inchikey: FHHSSXNRVNXTBG-SREVYHEPSA-N
Hvpx____4914_89_0 =  3.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4914_89_0 =  4.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4914_89_0 =  3.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-{\it trans}-3-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    3899-36-3
! inchikey: FHHSSXNRVNXTBG-VOTSOKGWSA-N
Hvpx____3899_36_3 =  3.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3899_36_3 =  4.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3899_36_3 =  3.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-1-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    3769-23-1
! inchikey: SUWJESCICIOQHO-UHFFFAOYSA-N
Hvpx____3769_23_1 =  3.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3769_23_1 =  2.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3769_23_1 =  3.1E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____3769_23_1 =  1.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____3769_23_1 =  4.4E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____3769_23_1 =  2.9E+04                                  ! [atm] type: ?, ref: 2440

! species:  4-methyl-{\it cis}-2-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    3683-19-0
! inchikey: MBNDKEPQUVZHCM-XQRVVYSFSA-N
Hvpx____3683_19_0 =  2.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3683_19_0 =  3.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3683_19_0 =  3.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-{\it trans}-2-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    3683-22-5
! inchikey: MBNDKEPQUVZHCM-GQCTYLIASA-N
Hvpx____3683_22_5 =  2.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3683_22_5 =  3.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3683_22_5 =  3.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-1-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    3524-73-0
! inchikey: JIUFYGIESXPUPL-UHFFFAOYSA-N
Hvpx____3524_73_0 =  2.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3524_73_0 =  2.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3524_73_0 =  3.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-{\it cis}-2-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    13151-17-2
! inchikey: GHBKCPRDHLITSE-PLNGDYQASA-N
Hvpx___13151_17_2 =  3.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13151_17_2 =  3.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___13151_17_2 =  3.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-{\it trans}-2-hexene
! formula:  C_7H_{14}
! trivial:  
! casrn:    7385-82-2
! inchikey: GHBKCPRDHLITSE-SNAWJCMRSA-N
Hvpx____7385_82_2 =  3.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7385_82_2 =  3.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7385_82_2 =  3.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-1-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    3404-72-6
! inchikey: LIMAEKMEXJTSNI-UHFFFAOYSA-N
Hvpx____3404_72_6 =  2.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3404_72_6 =  3.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3404_72_6 =  3.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-2-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    10574-37-5
! inchikey: WFHALSLYRWWUGH-UHFFFAOYSA-N
Hvpx___10574_37_5 =  3.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___10574_37_5 =  5.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___10574_37_5 =  3.6E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-1-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    2213-32-3
! inchikey: LXQPBCHJNIOMQU-UHFFFAOYSA-N
Hvpx____2213_32_3 =  2.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2213_32_3 =  4.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2213_32_3 =  3.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-2-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    625-65-0
! inchikey: VVCFYASOGFVJFN-UHFFFAOYSA-N
Hvpx_____625_65_0 =  2.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____625_65_0 =  5.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____625_65_0 =  2.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-1-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    3404-73-7
! inchikey: TXBZITDWMURSEF-UHFFFAOYSA-N
Hvpx____3404_73_7 =  2.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3404_73_7 =  3.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3404_73_7 =  3.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-1-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    7385-78-6
! inchikey: WFHXQNMTMDKVJG-UHFFFAOYSA-N
Hvpx____7385_78_6 =  2.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7385_78_6 =  2.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7385_78_6 =  2.8E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-{\it cis}-2-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    4914-91-4
! inchikey: PPBWEVVDSRKEIK-ALCCZGGFSA-N
Hvpx____4914_91_4 =  3.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4914_91_4 =  4.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4914_91_4 =  2.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-{\it trans}-2-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    4914-92-5
! inchikey: PPBWEVVDSRKEIK-FNORWQNLSA-N
Hvpx____4914_92_5 =  3.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4914_92_5 =  4.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4914_92_5 =  2.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-1-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    762-62-9
! inchikey: KLCNJIQZXOQYTE-UHFFFAOYSA-N
Hvpx_____762_62_9 =  2.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____762_62_9 =  3.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____762_62_9 =  3.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-{\it cis}-2-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    762-63-0
! inchikey: BIDIHFPLDRSAMB-WAYWQWQTSA-N
Hvpx_____762_63_0 =  2.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____762_63_0 =  3.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____762_63_0 =  3.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-{\it trans}-2-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    690-08-4
! inchikey: BIDIHFPLDRSAMB-AATRIKPKSA-N
Hvpx_____690_08_4 =  2.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____690_08_4 =  4.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____690_08_4 =  3.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2-ethyl-1-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    3404-71-5
! inchikey: TWCRBBJSQAZZQB-UHFFFAOYSA-N
Hvpx____3404_71_5 =  3.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3404_71_5 =  2.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3404_71_5 =  3.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____3404_71_5 =  1.9E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____3404_71_5 =  2.3E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____3404_71_5 =  3.3E+04                                  ! [atm] type: ?, ref: 2440

! species:  3-ethyl-1-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    4038-04-4
! inchikey: YPVPQMCSLFDIKA-UHFFFAOYSA-N
Hvpx____4038_04_4 =  2.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4038_04_4 =  2.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4038_04_4 =  3.1E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____4038_04_4 =  1.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx____4038_04_4 =  4.2E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____4038_04_4 =  2.8E+04                                  ! [atm] type: ?, ref: 2440

! species:  3-ethyl-2-pentene
! formula:  C_7H_{14}
! trivial:  
! casrn:    816-79-5
! inchikey: XMYFZAWUNVHVGI-UHFFFAOYSA-N
Hvpx_____816_79_5 =  3.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____816_79_5 =  3.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____816_79_5 =  3.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-2-ethyl-1-butene
! formula:  C_7H_{14}
! trivial:  
! casrn:    7357-93-9
! inchikey: ADHCYQWFCLQBFG-UHFFFAOYSA-N
Hvpx____7357_93_9 =  2.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7357_93_9 =  3.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7357_93_9 =  3.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3-trimethyl-1-butene
! formula:  C_7H_{14}
! trivial:  
! casrn:    594-56-9
! inchikey: AUYRUAVCWOAHQN-UHFFFAOYSA-N
Hvpx_____594_56_9 =  2.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____594_56_9 =  4.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____594_56_9 =  2.8E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____594_56_9 =  1.8E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____594_56_9 =  7.0E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____594_56_9 =  2.8E+04                                  ! [atm] type: ?, ref: 2440

! species:  1-octene
! formula:  C_8H_{16}
! trivial:  
! casrn:    111-66-0
! inchikey: KWKAKUADMBZCLK-UHFFFAOYSA-N
Hvpx_____111_66_0 =  3.5E+04                                  ! [atm] type: L, ref: 3518
Hvpx_____111_66_0 =  5.0E+04 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____111_66_0 =  5.3E+04                                  ! [atm] type: L, ref: 479
Hvpx_____111_66_0 =  3.5E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____111_66_0 =  3.5E+04                                  ! [atm] type: V, ref: 3088
Hvpx_____111_66_0 =  5.3E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____111_66_0 =  5.3E+04                                  ! [atm] type: V, ref: 635
Hvpx_____111_66_0 =  5.3E+04                                  ! [atm] type: V, ref: 2439
Hvpx_____111_66_0 =  5.3E+04                                  ! [atm] type: V, ref: 1145
Hvpx_____111_66_0 =  5.3E+04                                  ! [atm] type: V, ref: 2478
Hvpx_____111_66_0 =  5.3E+04                                  ! [atm] type: V, ref: 642
Hvpx_____111_66_0 =  3.5E+04                                  ! [atm] type: V, ref: 3924
Hvpx_____111_66_0 =  3.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_66_0 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_66_0 =  2.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____111_66_0 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_66_0 =  5.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_66_0 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_66_0 =  4.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____111_66_0 =  5.9E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_66_0 =  2.1E+04                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_66_0 =  2.7E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____111_66_0 =  4.9E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_66_0 =  2.9E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____111_66_0 =  3.5E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_66_0 =  9.6E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_66_0 =  6.5E+04                                  ! [atm] type: Q, ref: 731
Hvpx_____111_66_0 =  3.0E+04                                  ! [atm] type: Q, ref: 1162
Hvpx_____111_66_0 =  3.5E+04                                  ! [atm] type: Q, ref: 1145
Hvpx_____111_66_0 =  4.1E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____111_66_0 =  3.5E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_66_0 =  3.5E+04                                  ! [atm] type: ?, ref: 789
Hvpx_____111_66_0 =  3.5E+04                                  ! [atm] type: ?, ref: 1500

! species:  {\it cis}-2-octene
! formula:  C_8H_{16}
! trivial:  
! casrn:    7642-04-8
! inchikey: ILPBINAXDRFYPL-HYXAFXHYSA-N
Hvpx____7642_04_8 =  6.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7642_04_8 =  2.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7642_04_8 =  5.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it trans}-2-octene
! formula:  C_8H_{16}
! trivial:  
! casrn:    13389-42-9
! inchikey: ILPBINAXDRFYPL-HWKANZROSA-N
Hvpx___13389_42_9 =  6.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13389_42_9 =  3.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___13389_42_9 =  5.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx___13389_42_9 =  6.5E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it cis}-3-octene
! formula:  C_8H_{16}
! trivial:  
! casrn:    14850-22-7
! inchikey: YCTDZYMMFQCTEO-ALCCZGGFSA-N
Hvpx___14850_22_7 =  6.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14850_22_7 =  3.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___14850_22_7 =  5.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it trans}-3-octene
! formula:  C_8H_{16}
! trivial:  
! casrn:    14919-01-8
! inchikey: YCTDZYMMFQCTEO-FNORWQNLSA-N
Hvpx___14919_01_8 =  6.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14919_01_8 =  3.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___14919_01_8 =  5.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx___14919_01_8 =  6.2E+04                                  ! [atm] type: ?, ref: 2440

! species:  {\it cis}-4-octene
! formula:  C_8H_{16}
! trivial:  
! casrn:    7642-15-1
! inchikey: IRUCBBFNLDIMIK-FPLPWBNLSA-N
Hvpx____7642_15_1 =  6.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7642_15_1 =  3.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7642_15_1 =  5.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  {\it trans}-4-octene
! formula:  C_8H_{16}
! trivial:  
! casrn:    14850-23-8
! inchikey: IRUCBBFNLDIMIK-BQYQJAHWSA-N
Hvpx___14850_23_8 =  6.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14850_23_8 =  3.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___14850_23_8 =  5.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx___14850_23_8 =  6.0E+04                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-1-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    15870-10-7
! inchikey: RCBGGJURENJHKV-UHFFFAOYSA-N
Hvpx___15870_10_7 =  5.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15870_10_7 =  3.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___15870_10_7 =  5.6E+04                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-2-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    627-97-4
! inchikey: WEPNJTDVIIKRIK-UHFFFAOYSA-N
Hvpx_____627_97_4 =  6.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____627_97_4 =  4.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____627_97_4 =  6.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-{\it cis}-3-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    20488-34-0
! inchikey: CYEZJYAMLNTSKN-SREVYHEPSA-N
Hvpx___20488_34_0 =  4.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20488_34_0 =  4.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___20488_34_0 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-{\it trans}-3-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    692-96-6
! inchikey: CYEZJYAMLNTSKN-VOTSOKGWSA-N
Hvpx_____692_96_6 =  4.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____692_96_6 =  4.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____692_96_6 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-1-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    4810-09-7
! inchikey: QDMFTFWKTYXBIW-UHFFFAOYSA-N
Hvpx____4810_09_7 =  4.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4810_09_7 =  3.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4810_09_7 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-{\it cis}-2-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    22768-19-0
! inchikey: OFKLSPUVNMOIJB-YVMONPNESA-N
Hvpx___22768_19_0 =  6.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___22768_19_0 =  4.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___22768_19_0 =  6.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-{\it trans}-2-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    22768-20-3
! inchikey: OFKLSPUVNMOIJB-VMPITWQZSA-N
Hvpx___22768_20_3 =  6.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___22768_20_3 =  4.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___22768_20_3 =  6.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-{\it cis}-3-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    22768-17-8
! inchikey: AAUHUDBDDBJONC-FPLPWBNLSA-N
Hvpx___22768_17_8 =  5.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___22768_17_8 =  4.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___22768_17_8 =  6.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-{\it trans}-3-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    22768-18-9
! inchikey: AAUHUDBDDBJONC-BQYQJAHWSA-N
Hvpx___22768_18_9 =  5.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___22768_18_9 =  4.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___22768_18_9 =  6.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-1-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    13151-05-8
! inchikey: BFGOGLKYJXQPJZ-UHFFFAOYSA-N
Hvpx___13151_05_8 =  4.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13151_05_8 =  2.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___13151_05_8 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-{\it cis}-2-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    66225-16-9
! inchikey: SVGLFIBXFVQUQY-XQRVVYSFSA-N
Hvpx___66225_16_9 =  5.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_16_9 =  4.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_16_9 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-{\it trans}-2-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    66225-17-0
! inchikey: SVGLFIBXFVQUQY-GQCTYLIASA-N
Hvpx___66225_17_0 =  5.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_17_0 =  4.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_17_0 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-{\it cis}-3-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    14255-24-4
! inchikey: KKVVJQGDNYIIMN-VURMDHGXSA-N
Hvpx___14255_24_4 =  6.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14255_24_4 =  4.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___14255_24_4 =  6.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-{\it trans}-3-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    13714-85-7
! inchikey: KKVVJQGDNYIIMN-SOFGYWHQSA-N
Hvpx___13714_85_7 =  6.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13714_85_7 =  4.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___13714_85_7 =  6.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-1-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    13151-04-7
! inchikey: WNEYWVBECXCQRT-UHFFFAOYSA-N
Hvpx___13151_04_7 =  5.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13151_04_7 =  2.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___13151_04_7 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-{\it cis}-2-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    24608-84-2
! inchikey: VIHUHUGDEZCPDK-XQRVVYSFSA-N
Hvpx___24608_84_2 =  5.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___24608_84_2 =  3.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___24608_84_2 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-{\it trans}-2-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    24608-85-3
! inchikey: VIHUHUGDEZCPDK-GQCTYLIASA-N
Hvpx___24608_85_3 =  5.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___24608_85_3 =  3.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___24608_85_3 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-{\it cis}-3-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    50422-80-5
! inchikey: YMNTZRCUPAYGLG-SREVYHEPSA-N
Hvpx___50422_80_5 =  4.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___50422_80_5 =  4.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___50422_80_5 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-{\it trans}-3-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    53510-18-2
! inchikey: YMNTZRCUPAYGLG-VOTSOKGWSA-N
Hvpx___53510_18_2 =  4.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___53510_18_2 =  4.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___53510_18_2 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  6-methyl-1-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    5026-76-6
! inchikey: DFVOXRAAHOJJBN-UHFFFAOYSA-N
Hvpx____5026_76_6 =  5.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5026_76_6 =  2.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____5026_76_6 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  6-methyl-{\it cis}-2-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    66225-18-1
! inchikey: LXBJRNXXTAWCKU-PLNGDYQASA-N
Hvpx___66225_18_1 =  5.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_18_1 =  3.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_18_1 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  6-methyl-{\it trans}-2-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    51065-65-7
! inchikey: LXBJRNXXTAWCKU-SNAWJCMRSA-N
Hvpx___51065_65_7 =  5.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___51065_65_7 =  3.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___51065_65_7 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  6-methyl-{\it cis}-3-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    66225-19-2
! inchikey: PMPISKBGRHSPEE-WAYWQWQTSA-N
Hvpx___66225_19_2 =  5.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_19_2 =  3.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_19_2 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  6-methyl-{\it trans}-3-heptene
! formula:  C_8H_{16}
! trivial:  
! casrn:    66225-20-5
! inchikey: PMPISKBGRHSPEE-AATRIKPKSA-N
Hvpx___66225_20_5 =  5.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_20_5 =  4.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_20_5 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-{\it cis}-3-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    690-92-6
! inchikey: JPLZSSHKQZJYTJ-SREVYHEPSA-N
Hvpx_____690_92_6 =  4.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____690_92_6 =  5.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____690_92_6 =  4.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-{\it trans}-3-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    690-93-7
! inchikey: JPLZSSHKQZJYTJ-VOTSOKGWSA-N
Hvpx_____690_93_7 =  4.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____690_93_7 =  5.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____690_93_7 =  4.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-1-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    16746-86-4
! inchikey: LVLXQRZPKUFJJQ-UHFFFAOYSA-N
Hvpx___16746_86_4 =  4.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16746_86_4 =  4.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___16746_86_4 =  4.8E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    7145-20-2
! inchikey: RGYAVZGBAJFMIZ-UHFFFAOYSA-N
Hvpx____7145_20_2 =  6.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7145_20_2 =  7.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7145_20_2 =  6.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-{\it cis}-3-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    59643-75-3
! inchikey: PRTXQHCLTIKAAJ-VURMDHGXSA-N
Hvpx___59643_75_3 =  5.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___59643_75_3 =  5.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___59643_75_3 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-{\it trans}-3-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    66225-30-7
! inchikey: PRTXQHCLTIKAAJ-SOFGYWHQSA-N
Hvpx___66225_30_7 =  5.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_30_7 =  5.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_30_7 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-1-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    16746-87-5
! inchikey: PKVDGQHNRICJLA-UHFFFAOYSA-N
Hvpx___16746_87_5 =  4.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16746_87_5 =  4.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___16746_87_5 =  4.8E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    14255-23-3
! inchikey: IZSBIPQYBGDXJZ-UHFFFAOYSA-N
Hvpx___14255_23_3 =  4.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14255_23_3 =  6.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___14255_23_3 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-{\it cis}-3-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    37549-89-6
! inchikey: VFCHHMABGOYOQI-VURMDHGXSA-N
Hvpx___37549_89_6 =  4.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___37549_89_6 =  6.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___37549_89_6 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-{\it trans}-3-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    61847-78-7
! inchikey: VFCHHMABGOYOQI-SOFGYWHQSA-N
Hvpx___61847_78_7 =  4.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61847_78_7 =  7.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___61847_78_7 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-1-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    6975-92-4
! inchikey: ISZWTVCVSJVEOL-UHFFFAOYSA-N
Hvpx____6975_92_4 =  4.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6975_92_4 =  4.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____6975_92_4 =  4.8E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    3404-78-2
! inchikey: VFZIUYUUQFYZBR-UHFFFAOYSA-N
Hvpx____3404_78_2 =  4.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3404_78_2 =  6.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3404_78_2 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-{\it cis}-3-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    10557-44-5
! inchikey: KNCMKWVOMRUHKZ-WAYWQWQTSA-N
Hvpx___10557_44_5 =  4.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___10557_44_5 =  5.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___10557_44_5 =  4.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-{\it trans}-3-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    692-70-6
! inchikey: KNCMKWVOMRUHKZ-AATRIKPKSA-N
Hvpx_____692_70_6 =  4.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____692_70_6 =  5.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____692_70_6 =  4.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-1-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    3404-77-1
! inchikey: RXYYKIMRVXDSFR-UHFFFAOYSA-N
Hvpx____3404_77_1 =  4.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3404_77_1 =  3.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3404_77_1 =  4.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-1-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    16745-94-1
! inchikey: OWWRMMIWAOBBFK-UHFFFAOYSA-N
Hvpx___16745_94_1 =  4.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16745_94_1 =  2.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___16745_94_1 =  4.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-{\it cis}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    19550-81-3
! inchikey: FMNLVKMLDPGPRY-ALCCZGGFSA-N
Hvpx___19550_81_3 =  5.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19550_81_3 =  5.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___19550_81_3 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-{\it trans}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    19550-82-4
! inchikey: FMNLVKMLDPGPRY-FNORWQNLSA-N
Hvpx___19550_82_4 =  5.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19550_82_4 =  5.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___19550_82_4 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-{\it cis}-3-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    19550-87-9
! inchikey: XTUXVDJHGIEBAA-FPLPWBNLSA-N
Hvpx___19550_87_9 =  6.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19550_87_9 =  6.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___19550_87_9 =  6.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-{\it trans}-3-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    19550-88-0
! inchikey: XTUXVDJHGIEBAA-BQYQJAHWSA-N
Hvpx___19550_88_0 =  6.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19550_88_0 =  6.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___19550_88_0 =  6.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyl-1-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    7423-69-0
! inchikey: FEZKAPRRVNNJTK-UHFFFAOYSA-N
Hvpx____7423_69_0 =  4.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7423_69_0 =  3.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7423_69_0 =  4.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyl-{\it cis}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    66225-31-8
! inchikey: BQAZYKYBFAMHPG-YVMONPNESA-N
Hvpx___66225_31_8 =  4.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_31_8 =  6.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_31_8 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyl-{\it trans}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    66225-12-5
! inchikey: BQAZYKYBFAMHPG-VMPITWQZSA-N
Hvpx___66225_12_5 =  4.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_12_5 =  6.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_12_5 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-1-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    1647-08-1
! inchikey: SUJVAMIXNUAJEY-UHFFFAOYSA-N
Hvpx____1647_08_1 =  4.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1647_08_1 =  3.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1647_08_1 =  4.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-{\it cis}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    UNKNOWN
! inchikey: OQEVAISXHCRQGF-ALCCZGGFSA-N
Hvpx_OQEVAISXHCRQGF_ALCCZGGFSA_N =  4.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_OQEVAISXHCRQGF_ALCCZGGFSA_N =  5.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_OQEVAISXHCRQGF_ALCCZGGFSA_N =  4.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-{\it trans}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    19550-83-5
! inchikey: OQEVAISXHCRQGF-FNORWQNLSA-N
Hvpx___19550_83_5 =  4.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19550_83_5 =  5.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___19550_83_5 =  4.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  4,5-dimethyl-1-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    16106-59-5
! inchikey: UFWIBUBEFUNVNI-UHFFFAOYSA-N
Hvpx___16106_59_5 =  4.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16106_59_5 =  3.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___16106_59_5 =  4.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  4,5-dimethyl-{\it cis}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    65036-71-7
! inchikey: OAVNNZUEVHDCKP-WAYWQWQTSA-N
Hvpx___65036_71_7 =  4.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___65036_71_7 =  4.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___65036_71_7 =  4.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  4,5-dimethyl-{\it trans}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    66225-14-7
! inchikey: OAVNNZUEVHDCKP-AATRIKPKSA-N
Hvpx___66225_14_7 =  4.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_14_7 =  4.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_14_7 =  4.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  5,5-dimethyl-1-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    7116-86-1
! inchikey: KZJIOVQKSAOPOP-UHFFFAOYSA-N
Hvpx____7116_86_1 =  4.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7116_86_1 =  3.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7116_86_1 =  4.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  5,5-dimethyl-{\it cis}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    39761-61-0
! inchikey: NWZJLSKAFZXSQH-WAYWQWQTSA-N
Hvpx___39761_61_0 =  4.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___39761_61_0 =  4.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___39761_61_0 =  4.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  5,5-dimethyl-{\it trans}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    39782-43-9
! inchikey: NWZJLSKAFZXSQH-AATRIKPKSA-N
Hvpx___39782_43_9 =  4.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___39782_43_9 =  5.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___39782_43_9 =  4.7E+04                                  ! [atm] type: Q, ref: 3579

! species:  2-ethyl-1-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    1632-16-2
! inchikey: XTVRLCUJHGUXCP-UHFFFAOYSA-N
Hvpx____1632_16_2 =  5.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1632_16_2 =  2.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1632_16_2 =  5.6E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____1632_16_2 =  5.8E+04                                  ! [atm] type: ?, ref: 2440

! species:  3-ethyl-1-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    3404-58-8
! inchikey: OLGHJTHQWQKJQQ-UHFFFAOYSA-N
Hvpx____3404_58_8 =  4.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3404_58_8 =  3.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3404_58_8 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-3-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    16789-51-8
! inchikey: AUJLDZJNMXNESO-UHFFFAOYSA-N
Hvpx___16789_51_8 =  5.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16789_51_8 =  5.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___16789_51_8 =  6.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-{\it cis}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    36880-72-5
! inchikey: QEMJIDSLEPYRLM-YVMONPNESA-N
Hvpx___36880_72_5 =  5.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___36880_72_5 =  4.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___36880_72_5 =  6.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-{\it trans}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    66225-15-8
! inchikey: QEMJIDSLEPYRLM-VMPITWQZSA-N
Hvpx___66225_15_8 =  5.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_15_8 =  4.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_15_8 =  6.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-ethyl-1-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    16746-85-3
! inchikey: OPMUAJRVOWSBTP-UHFFFAOYSA-N
Hvpx___16746_85_3 =  4.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16746_85_3 =  3.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___16746_85_3 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-ethyl-{\it cis}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    54616-49-8
! inchikey: STHONQMAWQLWLX-DAXSKMNVSA-N
Hvpx___54616_49_8 =  5.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___54616_49_8 =  4.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___54616_49_8 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-ethyl-{\it trans}-2-hexene
! formula:  C_8H_{16}
! trivial:  
! casrn:    19781-63-6
! inchikey: STHONQMAWQLWLX-QPJJXVBHSA-N
Hvpx___19781_63_6 =  5.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19781_63_6 =  4.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___19781_63_6 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3-trimethyl-1-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    560-23-6
! inchikey: TUSBCMPNIOJUBX-UHFFFAOYSA-N
Hvpx_____560_23_6 =  4.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____560_23_6 =  4.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____560_23_6 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4-trimethyl-1-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    565-76-4
! inchikey: FAWUHEYSSPPNSH-UHFFFAOYSA-N
Hvpx_____565_76_4 =  4.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____565_76_4 =  5.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____565_76_4 =  4.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4-trimethyl-2-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    565-77-5
! inchikey: SZFRZEBLZFTODC-UHFFFAOYSA-N
Hvpx_____565_77_5 =  5.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____565_77_5 =  8.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____565_77_5 =  4.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4-trimethyl-1-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    107-39-1
! inchikey: FXNDIJDIPNCZQJ-UHFFFAOYSA-N
Hvpx_____107_39_1 =  4.6E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____107_39_1 =  4.1E+04                                  ! [atm] type: Q, ref: 3088
Hvpx_____107_39_1 =  6.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____107_39_1 =  4.5E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____107_39_1 =  2.1E+05                                  ! [atm] type: Q, ref: 3512
Hvpx_____107_39_1 =  5.1E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____107_39_1 =  4.5E+04                                  ! [atm] type: ?, ref: 2440

! species:  2,4,4-trimethyl-2-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    107-40-4
! inchikey: LAAVYEUJEMRIGF-UHFFFAOYSA-N
Hvpx_____107_40_4 =  4.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____107_40_4 =  4.9E+04                                  ! [atm] type: Q, ref: 3088
Hvpx_____107_40_4 =  8.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____107_40_4 =  4.5E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____107_40_4 =  9.3E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____107_40_4 =  5.4E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____107_40_4 =  4.4E+04                                  ! [atm] type: ?, ref: 2440

! species:  3,3,4-trimethyl-1-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    560-22-5
! inchikey: LLFHCOGPDCJMKY-UHFFFAOYSA-N
Hvpx_____560_22_5 =  4.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____560_22_5 =  3.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____560_22_5 =  3.8E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4-trimethyl-1-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    564-03-4
! inchikey: BOPVNOMJIDZBQB-UHFFFAOYSA-N
Hvpx_____564_03_4 =  4.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____564_03_4 =  3.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____564_03_4 =  3.8E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4-trimethyl-2-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    598-96-9
! inchikey: FZQMZRXKWHQJAG-UHFFFAOYSA-N
Hvpx_____598_96_9 =  4.9E+04                                  ! [atm] type: Q, ref: 3088

! species:  3,4,4-trimethyl-{\it cis}-2-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    39761-64-3
! inchikey: FZQMZRXKWHQJAG-SREVYHEPSA-N
Hvpx___39761_64_3 =  4.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___39761_64_3 =  6.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___39761_64_3 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4-trimethyl-{\it trans}-2-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    39761-57-4
! inchikey: FZQMZRXKWHQJAG-VOTSOKGWSA-N
Hvpx___39761_57_4 =  4.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___39761_57_4 =  6.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___39761_57_4 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3-ethyl-1-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    19780-66-6
! inchikey: HPHHYSWOBXEIRG-UHFFFAOYSA-N
Hvpx___19780_66_6 =  5.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19780_66_6 =  4.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___19780_66_6 =  4.8E+04                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3-ethyl-2-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    19780-67-7
! inchikey: FQYUGAXHZSQHMU-UHFFFAOYSA-N
Hvpx___19780_67_7 =  5.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19780_67_7 =  8.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___19780_67_7 =  6.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-2-ethyl-1-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    3404-67-9
! inchikey: YXLCVBVDFKWWRW-UHFFFAOYSA-N
Hvpx____3404_67_9 =  4.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3404_67_9 =  4.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3404_67_9 =  4.8E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-3-ethyl-1-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    6196-60-7
! inchikey: PHHHEKOJKDYRIN-UHFFFAOYSA-N
Hvpx____6196_60_7 =  4.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6196_60_7 =  2.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____6196_60_7 =  4.3E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-2-ethyl-1-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    3404-80-6
! inchikey: TVBQWTDYXVGWJL-UHFFFAOYSA-N
Hvpx____3404_80_6 =  4.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3404_80_6 =  4.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3404_80_6 =  4.8E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-3-ethyl-1-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    61847-80-1
! inchikey: DTNALCAUPPLROB-UHFFFAOYSA-N
Hvpx___61847_80_1 =  4.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61847_80_1 =  3.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___61847_80_1 =  4.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-3-ethyl-{\it cis}-2-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    42067-48-1
! inchikey: DSTFDBMUTNIZGD-YVMONPNESA-N
Hvpx___42067_48_1 =  5.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___42067_48_1 =  5.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___42067_48_1 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-3-ethyl-{\it trans}-2-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    42067-49-2
! inchikey: DSTFDBMUTNIZGD-VMPITWQZSA-N
Hvpx___42067_49_2 =  5.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___42067_49_2 =  5.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___42067_49_2 =  5.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2-propyl-1-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    15918-08-8
! inchikey: FYUUBXZYRPRIHC-UHFFFAOYSA-N
Hvpx___15918_08_8 =  5.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15918_08_8 =  3.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___15918_08_8 =  5.6E+04                                  ! [atm] type: Q, ref: 3579

! species:  2-isopropyl-1-pentene
! formula:  C_8H_{16}
! trivial:  
! casrn:    16746-02-4
! inchikey: QOUCFWFZPKWYRE-UHFFFAOYSA-N
Hvpx___16746_02_4 =  5.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16746_02_4 =  4.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___16746_02_4 =  4.8E+04                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-2-ethyl-1-butene
! formula:  C_8H_{16}
! trivial:  
! casrn:    18231-53-3
! inchikey: KQRPZENSXZIOQO-UHFFFAOYSA-N
Hvpx___18231_53_3 =  4.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18231_53_3 =  4.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___18231_53_3 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-2-isopropyl-1-butene
! formula:  C_8H_{16}
! trivial:  
! casrn:    111823-35-9
! inchikey: GIBPFTYFAOOKOV-UHFFFAOYSA-N
Hvpx__111823_35_9 =  4.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx__111823_35_9 =  5.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx__111823_35_9 =  4.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-nonene
! formula:  C_9H_{18}
! trivial:  
! casrn:    124-11-8
! inchikey: JRZJOMJEPLMPRA-UHFFFAOYSA-N
Hvpx_____124_11_8 =  4.8E+04                                  ! [atm] type: L, ref: 3518
Hvpx_____124_11_8 =  4.4E+04                                  ! [atm] type: L, ref: 3673
Hvpx_____124_11_8 =  4.4E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____124_11_8 =  4.4E+04                                  ! [atm] type: V, ref: 2611
Hvpx_____124_11_8 =  4.4E+04                                  ! [atm] type: V, ref: 635
Hvpx_____124_11_8 =  4.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____124_11_8 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____124_11_8 =  2.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____124_11_8 =  6.2E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____124_11_8 =  8.3E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____124_11_8 =  4.9E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____124_11_8 =  3.3E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____124_11_8 =  4.6E+04                                  ! [atm] type: Q, ref: 2543
Hvpx_____124_11_8 =  5.3E+04                                  ! [atm] type: Q, ref: 984
Hvpx_____124_11_8 =  4.4E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____124_11_8 =  4.4E+04                                  ! [atm] type: ?, ref: 789
Hvpx_____124_11_8 =  4.4E+04                                  ! [atm] type: ?, ref: 1500

! species:  2-methyl-1-octene
! formula:  C_9H_{18}
! trivial:  
! casrn:    4588-18-5
! inchikey: FBEDQPGLIKZGIN-UHFFFAOYSA-N
Hvpx____4588_18_5 =  8.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4588_18_5 =  4.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____4588_18_5 =  7.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-decene
! formula:  C_{10}H_{20}
! trivial:  
! casrn:    872-05-9
! inchikey: AFFLGGQVNFXPEV-UHFFFAOYSA-N
Hvpx_____872_05_9 =  6.4E+04                                  ! [atm] type: L, ref: 3518
Hvpx_____872_05_9 =  3.0E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____872_05_9 =  1.5E+05                                  ! [atm] type: V, ref: 3088
Hvpx_____872_05_9 =  1.7E+05                                  ! [atm] type: V, ref: 635
Hvpx_____872_05_9 =  1.5E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____872_05_9 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____872_05_9 =  2.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____872_05_9 =  7.4E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____872_05_9 =  1.3E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____872_05_9 =  1.2E+05                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-1-nonene
! formula:  C_{10}H_{20}
! trivial:  
! casrn:    2980-71-4
! inchikey: YLZQHQUVNZVGOK-UHFFFAOYSA-N
Hvpx____2980_71_4 =  1.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2980_71_4 =  5.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2980_71_4 =  1.0E+05                                  ! [atm] type: Q, ref: 3579

! species:  1-undecene
! formula:  C_{11}H_{22}
! trivial:  
! casrn:    821-95-4
! inchikey: DCTOHCCUXLBQMS-UHFFFAOYSA-N
Hvpx_____821_95_4 =  1.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____821_95_4 =  8.2E+04                                  ! [atm] type: Q, ref: 3088
Hvpx_____821_95_4 =  1.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____821_95_4 =  8.1E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____821_95_4 =  2.5E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____821_95_4 =  4.5E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____821_95_4 =  1.2E+05                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-1-decene
! formula:  C_{11}H_{22}
! trivial:  
! casrn:    13151-27-4
! inchikey: HLMACKQLXSEXIY-UHFFFAOYSA-N
Hvpx___13151_27_4 =  1.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13151_27_4 =  3.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___13151_27_4 =  1.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  1-dodecene
! formula:  C_{12}H_{24}
! trivial:  
! casrn:    112-41-4
! inchikey: CRSBERNSMYQZNG-UHFFFAOYSA-N
Hvpx_____112_41_4 =  1.1E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_41_4 =  2.4E+05                                  ! [atm] type: Q, ref: 3088
Hvpx_____112_41_4 =  1.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____112_41_4 =  7.7E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____112_41_4 =  3.6E+05                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_41_4 =  5.5E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____112_41_4 =  1.1E+05                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-1-undecene
! formula:  C_{12}H_{24}
! trivial:  
! casrn:    18516-37-5
! inchikey: SJVKHZYVCVKEGM-UHFFFAOYSA-N
Hvpx___18516_37_5 =  1.6E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18516_37_5 =  1.3E+05                                  ! [atm] type: Q, ref: 3579

! species:  2,2,4,6,6-pentamethyl-3-heptene
! formula:  C_{12}H_{24}
! trivial:  
! casrn:    123-48-8
! inchikey: NBUMCEJRJRRLCA-UHFFFAOYSA-N
Hvpx_____123_48_8 =  1.5E+05                                  ! [atm] type: Q, ref: 2995
Hvpx_____123_48_8 =  1.1E+06                                  ! [atm] type: Q, ref: 2995
Hvpx_____123_48_8 =  3.1E+04                                  ! [atm] type: Q, ref: 2995
Hvpx_____123_48_8 =  3.6E+04                                  ! [atm] type: Q, ref: 2995

! species:  1-tridecene
! formula:  C_{13}H_{26}
! trivial:  
! casrn:    2437-56-1
! inchikey: VQOXUMQBYILCKR-UHFFFAOYSA-N
Hvpx____2437_56_1 =  9.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2437_56_1 =  9.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2437_56_1 =  5.8E+04                                  ! [atm] type: Q, ref: 3682
Hvpx____2437_56_1 =  1.4E+05                                  ! [atm] type: Q, ref: 3088
Hvpx____2437_56_1 =  1.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2437_56_1 =  6.2E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____2437_56_1 =  6.0E+04                                  ! [atm] type: Q, ref: 3731
Hvpx____2437_56_1 =  9.2E+04                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-1-dodecene
! formula:  C_{13}H_{26}
! trivial:  
! casrn:    16435-49-7
! inchikey: PWRBDKMPAZFCSV-UHFFFAOYSA-N
Hvpx___16435_49_7 =  1.3E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16435_49_7 =  2.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___16435_49_7 =  1.1E+05                                  ! [atm] type: Q, ref: 3579

! species:  1-tetradecene
! formula:  C_{14}H_{28}
! trivial:  
! casrn:    1120-36-1
! inchikey: HFDVRLIODXPAHB-UHFFFAOYSA-N
Hvpx____1120_36_1 =  1.8E+05                                  ! [atm] type: L, ref: 3518
Hvpx____1120_36_1 =  3.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1120_36_1 =  4.7E+05                                  ! [atm] type: Q, ref: 3088
Hvpx____1120_36_1 =  1.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1120_36_1 =  4.1E+04                                  ! [atm] type: Q, ref: 3579
Hvpx____1120_36_1 =  3.7E+04                                  ! [atm] type: ?, ref: 2440

! species:  2-tetradecene
! formula:  C_{14}H_{28}
! trivial:  
! casrn:    638-60-8
! inchikey: OBDUMNZXAIUUTH-UHFFFAOYSA-N
Hvpx_____638_60_8 =  7.3E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____638_60_8 =  1.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____638_60_8 =  1.2E+05                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-1-tridecene
! formula:  C_{14}H_{28}
! trivial:  
! casrn:    18094-01-4
! inchikey: VNBHQOHLCULRDN-UHFFFAOYSA-N
Hvpx___18094_01_4 =  6.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18094_01_4 =  1.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___18094_01_4 =  7.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-pentadecene
! formula:  C_{15}H_{30}
! trivial:  
! casrn:    13360-61-7
! inchikey: PJLHTVIBELQURV-UHFFFAOYSA-N
Hvpx___13360_61_7 =  2.5E+05                                  ! [atm] type: L, ref: 3518
Hvpx___13360_61_7 =  1.5E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13360_61_7 =  1.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___13360_61_7 =  2.1E+04                                  ! [atm] type: Q, ref: 3579
Hvpx___13360_61_7 =  6.3E+03                                  ! [atm] type: Q, ref: 3731
Hvpx___13360_61_7 =  1.5E+04                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-1-tetradecene
! formula:  C_{15}H_{30}
! trivial:  
! casrn:    52254-38-3
! inchikey: WSNMNSLVXDWAFZ-UHFFFAOYSA-N
Hvpx___52254_38_3 =  4.9E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52254_38_3 =  1.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___52254_38_3 =  4.5E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-hexadecene
! formula:  C_{16}H_{32}
! trivial:  
! casrn:    629-73-2
! inchikey: GQEZCXVZFLOKMC-UHFFFAOYSA-N
Hvpx_____629_73_2 =  9.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____629_73_2 =  1.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____629_73_2 =  8.2E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____629_73_2 =  9.4E+03                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-1-pentadecene
! formula:  C_{16}H_{32}
! trivial:  
! casrn:    29833-69-0
! inchikey: FWQJRKLMXMTXDY-UHFFFAOYSA-N
Hvpx___29833_69_0 =  2.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___29833_69_0 =  1.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___29833_69_0 =  1.9E+04                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethylpentadecane
! formula:  C_{17}H_{36}
! trivial:  
! casrn:    61868-07-3
! inchikey: TXGHMPJBDYZJLF-UHFFFAOYSA-N
Hvpx___61868_07_3 =  4.8E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61868_07_3 =  1.4E+05                                  ! [atm] type: Q, ref: 3406
Hvpx___61868_07_3 =  2.6E+04                                  ! [atm] type: Q, ref: 3579

! species:  1,2-butadiene
! formula:  C_4H_6
! trivial:  
! casrn:    590-19-2
! inchikey: QNRMTGGDHLBXQZ-UHFFFAOYSA-N
Hvpx_____590_19_2 =  4.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____590_19_2 =  5.4E+03                                  ! [atm] type: Q, ref: 3088
Hvpx_____590_19_2 =  3.7E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____590_19_2 =  4.4E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____590_19_2 =  5.1E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____590_19_2 =  4.4E+03                                  ! [atm] type: ?, ref: 2440

! species:  1,3-butadiene
! formula:  C_4H_6
! trivial:  
! casrn:    106-99-0
! inchikey: KAKZBPTYRLMSJV-UHFFFAOYSA-N
Hvpx_____106_99_0 =  3.9E+03 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____106_99_0 =  4.1E+03                                  ! [atm] type: L, ref: 479
Hvpx_____106_99_0 =  3.8E+03 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____106_99_0 =  3.9E+03                                  ! [atm] type: M, ref: 3066
Hvpx_____106_99_0 =  4.1E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____106_99_0 =  4.1E+03                                  ! [atm] type: V, ref: 3088
Hvpx_____106_99_0 =  4.1E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____106_99_0 =  1.4E+05                                  ! [atm] type: V, ref: 477
Hvpx_____106_99_0 =  1.1E+04                                  ! [atm] type: V, ref: 635
Hvpx_____106_99_0 =  1.1E+04                                  ! [atm] type: V, ref: 2439
Hvpx_____106_99_0 =  3.5E+03                                  ! [atm] type: V, ref: 642
Hvpx_____106_99_0 =  4.6E+03                                  ! [atm] type: V, ref: 2550
Hvpx_____106_99_0 =  4.0E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_99_0 =  3.5E+03                                  ! [atm] type: C, ref: 2550
Hvpx_____106_99_0 =  3.7E+03                                  ! [atm] type: Q, ref: 3728
Hvpx_____106_99_0 =  9.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_99_0 =  8.6E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_99_0 =  3.8E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_99_0 =  2.7E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_99_0 =  2.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_99_0 =  2.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_99_0 =  5.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_99_0 =  4.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_99_0 =  3.9E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____106_99_0 =  3.0E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_99_0 =  3.0E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_99_0 =  4.3E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____106_99_0 =  4.1E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_99_0 =  2.2E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____106_99_0 =  4.2E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_99_0 =  3.0E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____106_99_0 =  5.9E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____106_99_0 =  3.9E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____106_99_0 =  4.0E+03                                  ! [atm] type: ?, ref: 789

! species:  3-methyl-1,2-butadiene
! formula:  C_5H_8
! trivial:  2-methyl-2,3-butadiene
! casrn:    598-25-4
! inchikey: PAKGDPSCXSUALC-UHFFFAOYSA-N
Hvpx_____598_25_4 =  5.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____598_25_4 =  7.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____598_25_4 =  5.7E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____598_25_4 =  5.2E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____598_25_4 =  5.0E+03                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-1,3-butadiene
! formula:  C_5H_8
! trivial:  isoprene
! casrn:    78-79-5
! inchikey: RRHGJUQNOFWUDK-UHFFFAOYSA-N
Hvpx______78_79_5 =  4.2E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______78_79_5 =  4.2E+03                                  ! [atm] type: L, ref: 479
Hvpx______78_79_5 =  1.8E+03                                  ! [atm] type: M, ref: 3423
Hvpx______78_79_5 =  1.6E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3008
Hvpx______78_79_5 =  4.6E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3564
Hvpx______78_79_5 =  1.9E+03                                  ! [atm] type: M, ref: 1922
Hvpx______78_79_5 =  4.2E+03                                  ! [atm] type: V, ref: 3586
Hvpx______78_79_5 =  4.3E+03                                  ! [atm] type: V, ref: 3678
Hvpx______78_79_5 =  4.3E+03                                  ! [atm] type: V, ref: 3088
Hvpx______78_79_5 =  4.2E+03                                  ! [atm] type: V, ref: 2611
Hvpx______78_79_5 =  4.3E+03                                  ! [atm] type: V, ref: 2124
Hvpx______78_79_5 =  4.2E+03                                  ! [atm] type: V, ref: 635
Hvpx______78_79_5 =  4.3E+03                                  ! [atm] type: V, ref: 642
Hvpx______78_79_5 =  4.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_79_5 =  3.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______78_79_5 =  1.3E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______78_79_5 =  3.4E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______78_79_5 =  2.9E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______78_79_5 =  3.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______78_79_5 =  3.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______78_79_5 =  3.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______78_79_5 =  7.0E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______78_79_5 =  5.4E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______78_79_5 =  2.0E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______78_79_5 =  5.0E+04                                  ! [atm] type: Q, ref: 3512
Hvpx______78_79_5 =  4.1E+03                                  ! [atm] type: Q, ref: 2535
Hvpx______78_79_5 =  5.4E+03                                  ! [atm] type: Q, ref: 3731
Hvpx______78_79_5 =  5.2E+03                                  ! [atm] type: Q, ref: 3731
Hvpx______78_79_5 =  5.4E+03                                  ! [atm] type: Q, ref: 2543
Hvpx______78_79_5 =  3.8E+03                                  ! [atm] type: Q, ref: 1162
Hvpx______78_79_5 =  8.2E+03                                  ! [atm] type: Q, ref: 2482
Hvpx______78_79_5 =  5.1E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______78_79_5 =  4.3E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______78_79_5 =  4.3E+03                                  ! [atm] type: ?, ref: 789

! species:  1,2-pentadiene
! formula:  C_5H_8
! trivial:  
! casrn:    591-95-7
! inchikey: LVMTVPFRTKXRPH-UHFFFAOYSA-N
Hvpx_____591_95_7 =  5.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____591_95_7 =  4.7E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____591_95_7 =  5.0E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____591_95_7 =  5.6E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____591_95_7 =  5.0E+03                                  ! [atm] type: ?, ref: 2440

! species:  1,3-pentadiene
! formula:  C_5H_8
! trivial:  
! casrn:    504-60-9
! inchikey: PMJHHCWVYXUKFD-UHFFFAOYSA-N
Hvpx_____504_60_9 =  3.8E+03                                  ! [atm] type: Q, ref: 3088

! species:  {\it trans}-1,3-pentadiene
! formula:  C_5H_8
! trivial:  
! casrn:    2004-70-8
! inchikey: PMJHHCWVYXUKFD-SNAWJCMRSA-N
Hvpx____2004_70_8 =  5.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2004_70_8 =  6.6E+03                                  ! [atm] type: Q, ref: 3088
Hvpx____2004_70_8 =  2.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____2004_70_8 =  5.4E+03                                  ! [atm] type: Q, ref: 3579
Hvpx____2004_70_8 =  5.0E+03                                  ! [atm] type: ?, ref: 2440

! species:  {\it cis}-1,3-pentadiene
! formula:  C_5H_8
! trivial:  
! casrn:    1574-41-0
! inchikey: PMJHHCWVYXUKFD-PLNGDYQASA-N
Hvpx____1574_41_0 =  5.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1574_41_0 =  2.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1574_41_0 =  5.4E+03                                  ! [atm] type: Q, ref: 3579
Hvpx____1574_41_0 =  5.0E+03                                  ! [atm] type: ?, ref: 2440

! species:  1,4-pentadiene
! formula:  C_5H_8
! trivial:  
! casrn:    591-93-5
! inchikey: QYZLKGVUSQXAMU-UHFFFAOYSA-N
Hvpx_____591_93_5 =  6.8E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____591_93_5 =  6.6E+03                                  ! [atm] type: L, ref: 479
Hvpx_____591_93_5 =  6.6E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____591_93_5 =  6.5E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____591_93_5 =  6.5E+03                                  ! [atm] type: V, ref: 635
Hvpx_____591_93_5 =  6.6E+03                                  ! [atm] type: V, ref: 642
Hvpx_____591_93_5 =  6.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____591_93_5 =  9.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____591_93_5 =  2.6E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____591_93_5 =  3.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_93_5 =  7.0E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_93_5 =  7.0E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_93_5 =  6.4E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____591_93_5 =  5.5E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____591_93_5 =  6.7E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____591_93_5 =  4.5E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____591_93_5 =  6.5E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____591_93_5 =  4.9E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____591_93_5 =  5.5E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____591_93_5 =  3.7E+03                                  ! [atm] type: Q, ref: 731
Hvpx_____591_93_5 =  3.4E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____591_93_5 =  7.4E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____591_93_5 =  6.5E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____591_93_5 =  6.6E+03                                  ! [atm] type: ?, ref: 789

! species:  2,3-pentadiene
! formula:  C_5H_8
! trivial:  
! casrn:    591-96-8
! inchikey: PODAMDNJNMAKAZ-UHFFFAOYSA-N
Hvpx_____591_96_8 =  5.1E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____591_96_8 =  6.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____591_96_8 =  5.7E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____591_96_8 =  5.0E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____591_96_8 =  4.9E+03                                  ! [atm] type: ?, ref: 2440

! species:  1,2-hexadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    592-44-9
! inchikey: XIAJQOBRHVKGSP-UHFFFAOYSA-N
Hvpx_____592_44_9 =  7.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____592_44_9 =  4.6E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____592_44_9 =  5.6E+03                                  ! [atm] type: Q, ref: 3579

! species:  {\it cis}-1,3-hexadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    14596-92-0
! inchikey: AHAREKHAZNPPMI-WAYWQWQTSA-N
Hvpx___14596_92_0 =  7.1E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14596_92_0 =  2.6E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___14596_92_0 =  6.5E+03                                  ! [atm] type: Q, ref: 3579

! species:  {\it trans}-1,3-hexadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    20237-34-7
! inchikey: AHAREKHAZNPPMI-AATRIKPKSA-N
Hvpx___20237_34_7 =  7.1E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20237_34_7 =  2.6E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___20237_34_7 =  6.5E+03                                  ! [atm] type: Q, ref: 3579

! species:  1,4-hexadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    592-45-0
! inchikey: PRBHEGAFLDMLAL-UHFFFAOYSA-N
Hvpx_____592_45_0 =  6.5E+03                                  ! [atm] type: Q, ref: 3088

! species:  {\it cis}-1,4-hexadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    7318-67-4
! inchikey: PRBHEGAFLDMLAL-XQRVVYSFSA-N
Hvpx____7318_67_4 =  6.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7318_67_4 =  3.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____7318_67_4 =  6.3E+03                                  ! [atm] type: Q, ref: 3579

! species:  {\it trans}-1,4-hexadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    7319-00-8
! inchikey: PRBHEGAFLDMLAL-GQCTYLIASA-N
Hvpx____7319_00_8 =  6.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7319_00_8 =  3.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____7319_00_8 =  6.3E+03                                  ! [atm] type: Q, ref: 3579

! species:  1,5-hexadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    592-42-7
! inchikey: PYGSKMBEVAICCR-UHFFFAOYSA-N
Hvpx_____592_42_7 =  8.0E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____592_42_7 =  7.8E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____592_42_7 =  7.9E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____592_42_7 =  8.1E+03                                  ! [atm] type: V, ref: 2439
Hvpx_____592_42_7 =  7.4E+03                                  ! [atm] type: V, ref: 642
Hvpx_____592_42_7 =  6.7E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____592_42_7 =  9.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____592_42_7 =  2.8E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____592_42_7 =  7.1E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____592_42_7 =  9.4E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____592_42_7 =  5.4E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____592_42_7 =  5.8E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____592_42_7 =  9.4E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____592_42_7 =  1.5E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____592_42_7 =  7.3E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____592_42_7 =  4.5E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____592_42_7 =  9.4E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____592_42_7 =  6.5E+03                                  ! [atm] type: ?, ref: 2440

! species:  2,3-hexadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    592-49-4
! inchikey: DPUXQWOMYBMHRN-UHFFFAOYSA-N
Hvpx_____592_49_4 =  6.8E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____592_49_4 =  8.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____592_49_4 =  6.8E+03                                  ! [atm] type: Q, ref: 3579

! species:  {\it cis}-2,{\it cis}-4-hexadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    6108-61-8
! inchikey: APPOKADJQUIAHP-GLIMQPGKSA-N
Hvpx____6108_61_8 =  7.7E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6108_61_8 =  3.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____6108_61_8 =  7.3E+03                                  ! [atm] type: Q, ref: 3579

! species:  {\it cis}-2,{\it trans}-4-hexadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    5194-50-3
! inchikey: APPOKADJQUIAHP-CIIODKQPSA-N
Hvpx____5194_50_3 =  8.1E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5194_50_3 =  3.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____5194_50_3 =  7.3E+03                                  ! [atm] type: Q, ref: 3579
Hvpx____5194_50_3 =  7.8E+03                                  ! [atm] type: ?, ref: 2440

! species:  {\it trans}-2,{\it trans}-4-hexadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    5194-51-4
! inchikey: APPOKADJQUIAHP-GGWOSOGESA-N
Hvpx____5194_51_4 =  7.8E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5194_51_4 =  3.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____5194_51_4 =  7.3E+03                                  ! [atm] type: Q, ref: 3579
Hvpx____5194_51_4 =  7.5E+03                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-1,4-pentadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    763-30-4
! inchikey: DRWYRROCDFQZQF-UHFFFAOYSA-N
Hvpx_____763_30_4 =  6.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____763_30_4 =  5.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____763_30_4 =  5.6E+03                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-1,{\it cis}-3-pentadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    1501-60-6
! inchikey: RCJMVGJKROQDCB-PLNGDYQASA-N
Hvpx____1501_60_6 =  7.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1501_60_6 =  3.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1501_60_6 =  7.3E+03                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-1,{\it trans}-3-pentadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    926-54-5
! inchikey: RCJMVGJKROQDCB-SNAWJCMRSA-N
Hvpx_____926_54_5 =  7.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____926_54_5 =  3.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____926_54_5 =  7.3E+03                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-2,3-pentadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    3043-33-2
! inchikey: JWMDOGMKTRMFDS-UHFFFAOYSA-N
Hvpx____3043_33_2 =  7.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3043_33_2 =  1.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3043_33_2 =  6.6E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-1,2-pentadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    7417-48-3
! inchikey: INFFCVIZNSUFGK-UHFFFAOYSA-N
Hvpx____7417_48_3 =  7.0E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7417_48_3 =  7.9E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____7417_48_3 =  7.0E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-1,{\it cis}-3-pentadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    2787-45-3
! inchikey: BOGRNZQRTNVZCZ-WAYWQWQTSA-N
Hvpx____2787_45_3 =  7.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2787_45_3 =  3.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____2787_45_3 =  7.3E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-1,{\it trans}-3-pentadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    2787-43-1
! inchikey: BOGRNZQRTNVZCZ-AATRIKPKSA-N
Hvpx____2787_43_1 =  7.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2787_43_1 =  3.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____2787_43_1 =  7.3E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-1,4-pentadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    1115-08-8
! inchikey: IKQUUYYDRTYXAP-UHFFFAOYSA-N
Hvpx____1115_08_8 =  6.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1115_08_8 =  2.9E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1115_08_8 =  5.7E+03                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-1,2-pentadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    13643-05-5
! inchikey: CAAAXQFHDYHTTC-UHFFFAOYSA-N
Hvpx___13643_05_5 =  7.0E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13643_05_5 =  5.6E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___13643_05_5 =  6.0E+03                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-1,3-pentadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    926-56-7
! inchikey: CJSBUWDGPXGFGA-UHFFFAOYSA-N
Hvpx_____926_56_7 =  7.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____926_56_7 =  3.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____926_56_7 =  7.3E+03                                  ! [atm] type: Q, ref: 3579

! species:  2-ethyl-1,3-butadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    3404-63-5
! inchikey: IGLWCQMNTGCUBB-UHFFFAOYSA-N
Hvpx____3404_63_5 =  7.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3404_63_5 =  2.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____3404_63_5 =  6.6E+03                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-1,3-butadiene
! formula:  C_6H_{10}
! trivial:  
! casrn:    513-81-5
! inchikey: SDJHPPZKZZWAKF-UHFFFAOYSA-N
Hvpx_____513_81_5 =  2.8E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____513_81_5 =  2.8E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____513_81_5 =  2.8E+03                                  ! [atm] type: V, ref: 635
Hvpx_____513_81_5 =  2.8E+03                                  ! [atm] type: V, ref: 1145
Hvpx_____513_81_5 =  2.6E+03                                  ! [atm] type: V, ref: 642
Hvpx_____513_81_5 =  7.1E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____513_81_5 =  9.1E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____513_81_5 =  4.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____513_81_5 =  7.0E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____513_81_5 =  2.9E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____513_81_5 =  6.8E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____513_81_5 =  1.2E+04                                  ! [atm] type: Q, ref: 2535
Hvpx_____513_81_5 =  1.5E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____513_81_5 =  5.5E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____513_81_5 =  1.1E+04                                  ! [atm] type: Q, ref: 1145
Hvpx_____513_81_5 =  1.2E+04                                  ! [atm] type: Q, ref: 2482
Hvpx_____513_81_5 =  6.8E+03                                  ! [atm] type: ?, ref: 2440

! species:  1,6-heptadiene
! formula:  C_7H_{12}
! trivial:  
! casrn:    3070-53-9
! inchikey: GEAWFZNTIFJMHR-UHFFFAOYSA-N
Hvpx____3070_53_9 =  9.8E+03                                  ! [atm] type: L, ref: 3673
Hvpx____3070_53_9 =  1.2E+04                                  ! [atm] type: Q, ref: 2521
Hvpx____3070_53_9 =  3.6E+03                                  ! [atm] type: Q, ref: 2535

! species:  2,5-dimethyl-2,4-hexadiene
! formula:  C_8H_{14}
! trivial:  
! casrn:    764-13-6
! inchikey: DZPCYXCBXGQBRN-UHFFFAOYSA-N
Hvpx_____764_13_6 =  2.6E+03                                  ! [atm] type: ?, ref: 3766

! species:  1-methylcyclopropene
! formula:  C_4H_6
! trivial:  
! casrn:    3100-04-7
! inchikey: SHDPRTQPPWIEJG-UHFFFAOYSA-N
Hvpx____3100_04_7 =  2.2E+03                                  ! [atm] type: Q, ref: 3088

! species:  cyclopentene
! formula:  C_5H_8
! trivial:  
! casrn:    142-29-0
! inchikey: LPIQUOYDBNQMRZ-UHFFFAOYSA-N
Hvpx_____142_29_0 =  2.8E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____142_29_0 =  3.5E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____142_29_0 =  2.4E+03 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2923
Hvpx_____142_29_0 =  3.5E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____142_29_0 =  3.5E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____142_29_0 =  3.5E+03                                  ! [atm] type: V, ref: 635
Hvpx_____142_29_0 =  3.5E+03                                  ! [atm] type: V, ref: 2439
Hvpx_____142_29_0 =  3.5E+03                                  ! [atm] type: V, ref: 642
Hvpx_____142_29_0 =  3.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____142_29_0 =  1.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____142_29_0 =  3.7E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____142_29_0 =  3.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_29_0 =  1.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_29_0 =  2.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_29_0 =  3.1E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____142_29_0 =  1.8E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____142_29_0 =  3.6E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____142_29_0 =  1.9E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____142_29_0 =  1.2E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____142_29_0 =  3.9E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____142_29_0 =  3.2E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____142_29_0 =  3.4E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____142_29_0 =  3.5E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____142_29_0 =  3.5E+03                                  ! [atm] type: ?, ref: 789

! species:  cyclohexene
! formula:  C_6H_{10}
! trivial:  
! casrn:    110-83-8
! inchikey: HGCIXCUEYOPUTN-UHFFFAOYSA-N
Hvpx_____110_83_8 =  1.9E+03 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____110_83_8 =  2.5E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____110_83_8 =  1.6E+03 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2923
Hvpx_____110_83_8 =  2.2E+03                                  ! [atm] type: M, ref: 622
Hvpx_____110_83_8 =  2.5E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____110_83_8 =  2.5E+03                                  ! [atm] type: V, ref: 635
Hvpx_____110_83_8 =  2.5E+03                                  ! [atm] type: V, ref: 2439
Hvpx_____110_83_8 =  2.5E+03                                  ! [atm] type: V, ref: 642
Hvpx_____110_83_8 =  2.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_83_8 =  2.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_83_8 =  1.7E+03                                  ! [atm] type: Q, ref: 3682
Hvpx_____110_83_8 =  8.3E+03                                  ! [atm] type: Q, ref: 3730
Hvpx_____110_83_8 =  1.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_83_8 =  3.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_83_8 =  5.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_83_8 =  2.2E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_83_8 =  3.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_83_8 =  3.7E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_83_8 =  2.2E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_83_8 =  4.0E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_83_8 =  2.5E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_83_8 =  2.2E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____110_83_8 =  1.7E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_83_8 =  3.6E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_83_8 =  2.8E+03                                  ! [atm] type: Q, ref: 731
Hvpx_____110_83_8 =  4.2E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____110_83_8 =  4.3E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____110_83_8 =  2.5E+03                                  ! [atm] type: ?, ref: 3586
Hvpx_____110_83_8 =  2.5E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____110_83_8 =  2.5E+03                                  ! [atm] type: ?, ref: 789

! species:  1-methylcyclopentene
! formula:  C_6H_{10}
! trivial:  
! casrn:    693-89-0
! inchikey: ATQUFXWBVZUTKO-UHFFFAOYSA-N
Hvpx_____693_89_0 =  2.3E+03                                  ! [atm] type: Q, ref: 2521

! species:  cycloheptene
! formula:  C_7H_{12}
! trivial:  
! casrn:    628-92-2
! inchikey: ZXIJMRYMVAMXQP-UHFFFAOYSA-N
Hvpx_____628_92_2 =  2.7E+03                                  ! [atm] type: L, ref: 3518
Hvpx_____628_92_2 =  2.7E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____628_92_2 =  2.1E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____628_92_2 =  2.7E+03                                  ! [atm] type: V, ref: 635
Hvpx_____628_92_2 =  4.3E+03                                  ! [atm] type: Q, ref: 2521

! species:  1-methylcyclohexene
! formula:  C_6H_9CH_3
! trivial:  
! casrn:    591-49-1
! inchikey: CTMHWPIWNRWQEG-UHFFFAOYSA-N
Hvpx_____591_49_1 =  4.0E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____591_49_1 =  4.1E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____591_49_1 =  4.7E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____591_49_1 =  4.2E+03                                  ! [atm] type: V, ref: 642
Hvpx_____591_49_1 =  3.9E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____591_49_1 =  2.8E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____591_49_1 =  4.4E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____591_49_1 =  4.1E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____591_49_1 =  2.2E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____591_49_1 =  3.5E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____591_49_1 =  5.9E+03                                  ! [atm] type: Q, ref: 1162

! species:  cyclooctene
! formula:  C_8H_{14}
! trivial:  
! casrn:    931-88-4
! inchikey: URYYVOIYTNXXBN-UPHRSURJSA-N
Hvpx_____931_88_4 =  2.6E+03 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____931_88_4 =  2.7E+03 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2936
Hvpx_____931_88_4 =  2.7E+03                                  ! [atm] type: V, ref: 2611

! species:  1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1H-indene
! formula:  C_{14}H_{24}
! trivial:  
! casrn:    33704-59-5
! inchikey: CDEGOUYLXTUDAU-UHFFFAOYSA-N
Hvpx___33704_59_5 =  2.2E+04                                  ! [atm] type: Q, ref: 2995
Hvpx___33704_59_5 =  2.2E+05                                  ! [atm] type: Q, ref: 2995
Hvpx___33704_59_5 =  5.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___33704_59_5 =  7.4E+03                                  ! [atm] type: Q, ref: 2995

! species:  1,3-cyclopentadiene
! formula:  C_5H_6
! trivial:  
! casrn:    542-92-7
! inchikey: ZSWFCLXCOIISFI-UHFFFAOYSA-N
Hvpx_____542_92_7 =  3.1E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____542_92_7 =  1.2E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____542_92_7 =  1.2E+03                                  ! [atm] type: V, ref: 3088
Hvpx_____542_92_7 =  1.1E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____542_92_7 =  4.5E+02                                  ! [atm] type: Q, ref: 2521

! species:  1,3-cyclohexadiene
! formula:  C_6H_8
! trivial:  
! casrn:    592-57-4
! inchikey: MGNZXYYWBUKAII-UHFFFAOYSA-N
Hvpx_____592_57_4 =  8.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____592_57_4 =  6.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____592_57_4 =  1.2E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____592_57_4 =  4.8E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____592_57_4 =  8.1E+02                                  ! [atm] type: ?, ref: 2440

! species:  1,4-cyclohexadiene
! formula:  C_6H_8
! trivial:  1,4-dihydrobenzene
! casrn:    628-41-1
! inchikey: UVJHQYIOXKWHFD-UHFFFAOYSA-N
Hvpx_____628_41_1 =  4.2E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____628_41_1 =  5.4E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____628_41_1 =  4.9E+02                                  ! [atm] type: V, ref: 2611
Hvpx_____628_41_1 =  5.6E+02                                  ! [atm] type: V, ref: 635
Hvpx_____628_41_1 =  5.3E+02                                  ! [atm] type: C, ref: 2521
Hvpx_____628_41_1 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_41_1 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_41_1 =  5.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_41_1 =  6.8E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____628_41_1 =  1.0E+03                                  ! [atm] type: Q, ref: 2530

! species:  1,3-cycloheptadiene
! formula:  C_7H_{10}
! trivial:  
! casrn:    4054-38-0
! inchikey: GWYPDXLJACEENP-UHFFFAOYSA-N
Hvpx____4054_38_0 =  8.7E+02                                  ! [atm] type: Q, ref: 2521

! species:  1,3,5-cycloheptatriene
! formula:  C_7H_8
! trivial:  
! casrn:    544-25-2
! inchikey: CHVJITGCYZJHLR-UHFFFAOYSA-N
Hvpx_____544_25_2 =  2.4E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____544_25_2 =  2.5E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____544_25_2 =  2.6E+02                                  ! [atm] type: V, ref: 635
Hvpx_____544_25_2 =  2.5E+02                                  ! [atm] type: V, ref: 1910
Hvpx_____544_25_2 =  2.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____544_25_2 =  9.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____544_25_2 =  1.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____544_25_2 =  2.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____544_25_2 =  1.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____544_25_2 =  1.6E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____544_25_2 =  1.8E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____544_25_2 =  6.5E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____544_25_2 =  2.5E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____544_25_2 =  2.6E+02                                  ! [atm] type: ?, ref: 789

! species:  1,5-cyclooctadiene
! formula:  C_8H_{12}
! trivial:  
! casrn:    111-78-4
! inchikey: VYXHVRARDIDEHS-QGTKBVGQSA-N
Hvpx_____111_78_4 =  1.5E+03                                  ! [atm] type: Q, ref: 2521

! species:  1-ethenylcyclohexene
! formula:  C_8H_{12}
! trivial:  
! casrn:    2622-21-1
! inchikey: SDRZFSPCVYEJTP-UHFFFAOYSA-N
Hvpx____2622_21_1 =  7.1E+02                                  ! [atm] type: Q, ref: 2521

! species:  4-ethenylcyclohexene
! formula:  C_8H_{12}
! trivial:  4-vinylcyclohexene
! casrn:    100-40-3
! inchikey: BBDKZWKEPDTENS-UHFFFAOYSA-N
Hvpx_____100_40_3 =  2.5E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____100_40_3 =  2.5E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____100_40_3 =  2.5E+03                                  ! [atm] type: V, ref: 3088
Hvpx_____100_40_3 =  9.3E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_40_3 =  2.2E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_40_3 =  3.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_40_3 =  8.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_40_3 =  3.0E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_40_3 =  2.0E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_40_3 =  2.5E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____100_40_3 =  2.0E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____100_40_3 =  2.5E+03                                  ! [atm] type: ?, ref: 2440

! species:  1,3,5,7-cyclooctatetraene
! formula:  C_8H_8
! trivial:  
! casrn:    629-20-9
! inchikey: KDUIUFJBNGTBMD-DLMDZQPMSA-N
Hvpx_____629_20_9 =  1.5E+01                                  ! [atm] type: Q, ref: 2521

! species:  3a,4,7,7a-tetrahydro-4,7-methano-1H-indene
! formula:  C_{10}H_{12}
! trivial:  dicyclopentadiene
! casrn:    77-73-6
! inchikey: HECLRDQVFMWTQS-UHFFFAOYSA-N
Hvpx______77_73_6 =  3.5E+03                                  ! [atm] type: Q, ref: 3088
Hvpx______77_73_6 =  2.0E+04                                  ! [atm] type: Q, ref: 2521

! species:  1,5,9-cyclododecatriene
! formula:  C_{12}H_{18}
! trivial:  
! casrn:    4904-61-4
! inchikey: ZOLLIQAKMYWTBR-UHFFFAOYSA-N
Hvpx____4904_61_4 =  1.7E+03                                  ! [atm] type: Q, ref: 3088

! species:  ($E$,$E$,$Z$)-1,5,9-cyclododecatriene
! formula:  C_{12}H_{18}
! trivial:  
! casrn:    706-31-0
! inchikey: ZOLLIQAKMYWTBR-RYMQXAEESA-N
Hvpx_____706_31_0 =  3.1E+03                                  ! [atm] type: ?, ref: 3766

! species:  ethyne
! formula:  C_2H_2
! trivial:  acetylene
! casrn:    74-86-2
! inchikey: HSFWRNGVRCDJHI-UHFFFAOYSA-N
Hvpx______74_86_2 =  1.3E+03 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_86_2 =  1.3E+03 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_86_2 =  1.3E+03 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______74_86_2 =  1.3E+03 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______74_86_2 =  1.3E+03 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3528
Hvpx______74_86_2 =  1.3E+03 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______74_86_2 =  1.3E+03 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______74_86_2 =  1.4E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3751
Hvpx______74_86_2 =  2.2E+03                                  ! [atm] type: M, ref: 3750
Hvpx______74_86_2 =  1.7E+03                                  ! [atm] type: M, ref: 3715
Hvpx______74_86_2 =  1.3E+03 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3748
Hvpx______74_86_2 =  1.5E+03                                  ! [atm] type: M, ref: 3749
Hvpx______74_86_2 =  1.3E+03 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: M, ref: 862
Hvpx______74_86_2 =  1.1E+03                                  ! [atm] type: M, ref: 3747
Hvpx______74_86_2 =  1.2E+03                                  ! [atm] type: V, ref: 3586
Hvpx______74_86_2 =  1.2E+03                                  ! [atm] type: V, ref: 3088
Hvpx______74_86_2 =  1.4E+03                                  ! [atm] type: V, ref: 2439
Hvpx______74_86_2 =  1.3E+03                                  ! [atm] type: V, ref: 642
Hvpx______74_86_2 =  3.1E+04                                  ! [atm] type: T, ref: 766
Hvpx______74_86_2 =  1.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______74_86_2 =  1.3E+03 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: X, ref: schoen23
Hvpx______74_86_2 =  1.2E+03                                  ! [atm] type: X, ref: vitovec68
Hvpx______74_86_2 =  1.3E+03                                  ! [atm] type: C, ref: 529
Hvpx______74_86_2 =  1.3E+03                                  ! [atm] type: Q, ref: 3728
Hvpx______74_86_2 =  6.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______74_86_2 =  1.6E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______74_86_2 =  3.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______74_86_2 =  1.9E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______74_86_2 =  6.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______74_86_2 =  1.4E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______74_86_2 =  3.9E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______74_86_2 =  1.5E+03                                  ! [atm] type: Q, ref: 1162
Hvpx______74_86_2 =  9.4E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______74_86_2 =  1.1E+03                                  ! [atm] type: Q, ref: 2550
Hvpx______74_86_2 =  1.4E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______74_86_2 =  1.3E+03 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx______74_86_2 =  1.3E+03 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx______74_86_2 =  1.4E+03                                  ! [atm] type: ?, ref: 789
Hvpx______74_86_2 =  1.3E+03                                  ! [atm] type: ?, ref: 1500

! species:  propyne
! formula:  CH_3CCH
! trivial:  
! casrn:    74-99-7
! inchikey: MWWATHDPGQKSAR-UHFFFAOYSA-N
Hvpx______74_99_7 =  7.3E+02 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______74_99_7 =  6.1E+02                                  ! [atm] type: L, ref: 479
Hvpx______74_99_7 =  5.9E+02                                  ! [atm] type: M, ref: 3924
Hvpx______74_99_7 =  7.1E+02 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2551
Hvpx______74_99_7 =  8.9E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3100
Hvpx______74_99_7 =  6.1E+02                                  ! [atm] type: V, ref: 3586
Hvpx______74_99_7 =  6.1E+02                                  ! [atm] type: V, ref: 3088
Hvpx______74_99_7 =  6.0E+02                                  ! [atm] type: V, ref: 642
Hvpx______74_99_7 =  8.3E+02                                  ! [atm] type: V, ref: 2550
Hvpx______74_99_7 =  5.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______74_99_7 =  7.2E+02                                  ! [atm] type: Q, ref: 3728
Hvpx______74_99_7 =  1.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______74_99_7 =  4.8E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______74_99_7 =  5.6E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______74_99_7 =  9.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______74_99_7 =  1.4E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______74_99_7 =  5.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______74_99_7 =  2.0E+03                                  ! [atm] type: Q, ref: 1162
Hvpx______74_99_7 =  1.2E+03                                  ! [atm] type: Q, ref: 2482
Hvpx______74_99_7 =  6.5E+02                                  ! [atm] type: Q, ref: 2550
Hvpx______74_99_7 =  5.9E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______74_99_7 =  5.9E+02                                  ! [atm] type: ?, ref: 789
Hvpx______74_99_7 =  6.0E+02                                  ! [atm] type: ?, ref: 1500

! species:  1-butyne
! formula:  C_2H_5CCH
! trivial:  ethylacetylene
! casrn:    107-00-6
! inchikey: KDKYADYSIPSCCQ-UHFFFAOYSA-N
Hvpx_____107_00_6 =  9.7E+02                                  ! [atm] type: L, ref: 3518
Hvpx_____107_00_6 =  8.8E+02 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____107_00_6 =  1.0E+03                                  ! [atm] type: L, ref: 479
Hvpx_____107_00_6 =  7.3E+02 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____107_00_6 =  1.0E+03                                  ! [atm] type: M, ref: 3924
Hvpx_____107_00_6 =  7.5E+02 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2551
Hvpx_____107_00_6 =  1.0E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____107_00_6 =  1.9E+03                                  ! [atm] type: V, ref: 2439
Hvpx_____107_00_6 =  1.0E+03                                  ! [atm] type: V, ref: 642
Hvpx_____107_00_6 =  1.0E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____107_00_6 =  6.6E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____107_00_6 =  8.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____107_00_6 =  1.5E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_00_6 =  2.6E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_00_6 =  8.0E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____107_00_6 =  2.6E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____107_00_6 =  1.5E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____107_00_6 =  8.6E+02                                  ! [atm] type: Q, ref: 2550
Hvpx_____107_00_6 =  1.0E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____107_00_6 =  1.0E+03                                  ! [atm] type: ?, ref: 789
Hvpx_____107_00_6 =  1.0E+03                                  ! [atm] type: ?, ref: 1500

! species:  2-butyne
! formula:  C_4H_6
! trivial:  dimethylacetylene
! casrn:    503-17-3
! inchikey: XNMQEEKYCVKGBD-UHFFFAOYSA-N
Hvpx_____503_17_3 =  1.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____503_17_3 =  5.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____503_17_3 =  4.1E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____503_17_3 =  2.9E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____503_17_3 =  1.2E+03                                  ! [atm] type: ?, ref: 2440

! species:  1-pentyne
! formula:  C_3H_7CCH
! trivial:  
! casrn:    627-19-0
! inchikey: IBXNCJKFFQIKKY-UHFFFAOYSA-N
Hvpx_____627_19_0 =  1.4E+03                                  ! [atm] type: L, ref: 3518
Hvpx_____627_19_0 =  1.7E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____627_19_0 =  1.4E+03                                  ! [atm] type: L, ref: 479
Hvpx_____627_19_0 =  1.4E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____627_19_0 =  1.4E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____627_19_0 =  1.4E+03                                  ! [atm] type: V, ref: 635
Hvpx_____627_19_0 =  2.2E+03                                  ! [atm] type: V, ref: 2388
Hvpx_____627_19_0 =  1.4E+03                                  ! [atm] type: V, ref: 642
Hvpx_____627_19_0 =  1.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____627_19_0 =  1.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____627_19_0 =  9.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____627_19_0 =  1.4E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____627_19_0 =  2.3E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____627_19_0 =  3.6E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____627_19_0 =  4.3E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____627_19_0 =  1.2E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____627_19_0 =  7.3E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____627_19_0 =  2.4E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____627_19_0 =  8.9E+03                                  ! [atm] type: Q, ref: 731
Hvpx_____627_19_0 =  3.4E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____627_19_0 =  1.9E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____627_19_0 =  1.4E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____627_19_0 =  2.7E+03                                  ! [atm] type: ?, ref: 789
Hvpx_____627_19_0 =  1.4E+03                                  ! [atm] type: ?, ref: 1500

! species:  2-pentyne
! formula:  C_5H_8
! trivial:  
! casrn:    627-21-4
! inchikey: NKTDTMONXHODTI-UHFFFAOYSA-N
Hvpx_____627_21_4 =  9.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____627_21_4 =  8.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____627_21_4 =  7.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____627_21_4 =  5.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____627_21_4 =  4.9E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____627_21_4 =  6.9E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____627_21_4 =  1.4E+03                                  ! [atm] type: ?, ref: 2440

! species:  3-methyl-1-butyne
! formula:  C_5H_8
! trivial:  
! casrn:    598-23-2
! inchikey: USCSRAJGJYMJFZ-UHFFFAOYSA-N
Hvpx_____598_23_2 =  1.0E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____598_23_2 =  1.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____598_23_2 =  8.6E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____598_23_2 =  1.5E+03                                  ! [atm] type: ?, ref: 2440

! species:  1-hexyne
! formula:  C_4H_9CCH
! trivial:  
! casrn:    693-02-7
! inchikey: CGHIBGNXEGJPQZ-UHFFFAOYSA-N
Hvpx_____693_02_7 =  2.1E+03                                  ! [atm] type: L, ref: 3518
Hvpx_____693_02_7 =  1.8E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____693_02_7 =  2.2E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____693_02_7 =  2.2E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____693_02_7 =  2.3E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____693_02_7 =  2.3E+03                                  ! [atm] type: V, ref: 635
Hvpx_____693_02_7 =  2.2E+03                                  ! [atm] type: V, ref: 642
Hvpx_____693_02_7 =  2.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____693_02_7 =  1.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____693_02_7 =  1.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____693_02_7 =  1.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____693_02_7 =  2.2E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____693_02_7 =  3.2E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____693_02_7 =  3.7E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____693_02_7 =  4.9E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____693_02_7 =  2.3E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____693_02_7 =  2.0E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____693_02_7 =  3.1E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____693_02_7 =  4.5E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____693_02_7 =  2.4E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____693_02_7 =  2.2E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____693_02_7 =  1.2E+03                                  ! [atm] type: ?, ref: 789
Hvpx_____693_02_7 =  2.2E+03                                  ! [atm] type: ?, ref: 1500

! species:  2-hexyne
! formula:  C_6H_{10}
! trivial:  
! casrn:    764-35-2
! inchikey: MELUCTCJOARQQG-UHFFFAOYSA-N
Hvpx_____764_35_2 =  1.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____764_35_2 =  1.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____764_35_2 =  1.4E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____764_35_2 =  9.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____764_35_2 =  5.5E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____764_35_2 =  1.8E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____764_35_2 =  2.2E+03                                  ! [atm] type: ?, ref: 2440

! species:  3-hexyne
! formula:  C_6H_{10}
! trivial:  
! casrn:    928-49-4
! inchikey: DQQNMIPXXNPGCV-UHFFFAOYSA-N
Hvpx_____928_49_4 =  1.0E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____928_49_4 =  9.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____928_49_4 =  1.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____928_49_4 =  1.4E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____928_49_4 =  9.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____928_49_4 =  5.4E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____928_49_4 =  1.7E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____928_49_4 =  2.1E+03                                  ! [atm] type: ?, ref: 2440

! species:  3-methyl-1-pentyne
! formula:  C_6H_{10}
! trivial:  
! casrn:    922-59-8
! inchikey: PLHJCCHSCFNKCC-UHFFFAOYSA-N
Hvpx_____922_59_8 =  1.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____922_59_8 =  1.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____922_59_8 =  1.4E+03                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-1-pentyne
! formula:  C_6H_{10}
! trivial:  
! casrn:    7154-75-8
! inchikey: OXRWICUICBZVAE-UHFFFAOYSA-N
Hvpx____7154_75_8 =  1.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7154_75_8 =  1.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____7154_75_8 =  1.4E+03                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-2-pentyne
! formula:  C_6H_{10}
! trivial:  
! casrn:    21020-27-9
! inchikey: SLMFWJQZLPEDDU-UHFFFAOYSA-N
Hvpx___21020_27_9 =  1.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___21020_27_9 =  1.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___21020_27_9 =  1.2E+03                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-1-butyne
! formula:  C_6H_{10}
! trivial:  
! casrn:    917-92-0
! inchikey: PPWNCLVNXGCGAF-UHFFFAOYSA-N
Hvpx_____917_92_0 =  1.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____917_92_0 =  2.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____917_92_0 =  1.1E+03                                  ! [atm] type: Q, ref: 3579

! species:  1-heptyne
! formula:  C_5H_{11}CCH
! trivial:  
! casrn:    628-71-7
! inchikey: YVXHZKKCZYLQOP-UHFFFAOYSA-N
Hvpx_____628_71_7 =  3.0E+03                                  ! [atm] type: L, ref: 3518
Hvpx_____628_71_7 =  3.1E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____628_71_7 =  3.9E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____628_71_7 =  4.2E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____628_71_7 =  2.4E+03                                  ! [atm] type: V, ref: 635
Hvpx_____628_71_7 =  3.7E+03                                  ! [atm] type: V, ref: 642
Hvpx_____628_71_7 =  3.9E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____628_71_7 =  1.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____628_71_7 =  1.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____628_71_7 =  3.4E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____628_71_7 =  4.8E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____628_71_7 =  4.8E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____628_71_7 =  5.7E+04                                  ! [atm] type: Q, ref: 3512
Hvpx_____628_71_7 =  3.6E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____628_71_7 =  2.3E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____628_71_7 =  4.1E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____628_71_7 =  5.8E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____628_71_7 =  3.0E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____628_71_7 =  3.9E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____628_71_7 =  3.9E+03                                  ! [atm] type: ?, ref: 789
Hvpx_____628_71_7 =  3.7E+03                                  ! [atm] type: ?, ref: 1500

! species:  2-heptyne
! formula:  C_7H_{12}
! trivial:  
! casrn:    1119-65-9
! inchikey: AMSFEMSYKQQCHL-UHFFFAOYSA-N
Hvpx____1119_65_9 =  1.1E+03                                  ! [atm] type: L, ref: 3673
Hvpx____1119_65_9 =  1.1E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1119_65_9 =  1.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____1119_65_9 =  2.6E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-heptyne
! formula:  C_7H_{12}
! trivial:  
! casrn:    2586-89-2
! inchikey: KLYHSJRCIZOUHE-UHFFFAOYSA-N
Hvpx____2586_89_2 =  2.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2586_89_2 =  1.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2586_89_2 =  2.6E+03                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3-hexyne
! formula:  C_7H_{12}
! trivial:  
! casrn:    36566-80-0
! inchikey: POBOUPFSQKXZFZ-UHFFFAOYSA-N
Hvpx___36566_80_0 =  2.5E+03                                  ! [atm] type: L, ref: 3673
Hvpx___36566_80_0 =  2.1E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___36566_80_0 =  2.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___36566_80_0 =  2.1E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-1-hexyne
! formula:  C_7H_{12}
! trivial:  
! casrn:    40276-93-5
! inchikey: OPZULQHRFNTFFZ-UHFFFAOYSA-N
Hvpx___40276_93_5 =  1.7E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___40276_93_5 =  2.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___40276_93_5 =  2.2E+03                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-1-hexyne
! formula:  C_7H_{12}
! trivial:  
! casrn:    52713-81-2
! inchikey: YFZSGTDENCTWGW-UHFFFAOYSA-N
Hvpx___52713_81_2 =  1.9E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52713_81_2 =  1.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___52713_81_2 =  2.2E+03                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-2-hexyne
! formula:  C_7H_{12}
! trivial:  
! casrn:    20198-49-6
! inchikey: ABEXZFRJQJSEBW-UHFFFAOYSA-N
Hvpx___20198_49_6 =  2.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20198_49_6 =  2.1E+03                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-1-hexyne
! formula:  C_7H_{12}
! trivial:  
! casrn:    2203-80-7
! inchikey: HKNANEMUCJGPMS-UHFFFAOYSA-N
Hvpx____2203_80_7 =  1.9E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2203_80_7 =  1.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2203_80_7 =  2.2E+03                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-2-hexyne
! formula:  C_7H_{12}
! trivial:  
! casrn:    53566-37-3
! inchikey: SVGAHRUSRQTQES-UHFFFAOYSA-N
Hvpx___53566_37_3 =  2.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___53566_37_3 =  1.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___53566_37_3 =  2.1E+03                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-1-pentyne
! formula:  C_7H_{12}
! trivial:  
! casrn:    918-82-1
! inchikey: KQIIKSQUHGGYCU-UHFFFAOYSA-N
Hvpx_____918_82_1 =  1.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____918_82_1 =  3.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____918_82_1 =  1.8E+03                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-1-pentyne
! formula:  C_7H_{12}
! trivial:  
! casrn:    61064-08-2
! inchikey: JDQKSTIAVKXRSK-UHFFFAOYSA-N
Hvpx___61064_08_2 =  1.7E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61064_08_2 =  2.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___61064_08_2 =  1.4E+03                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-1-pentyne
! formula:  C_7H_{12}
! trivial:  
! casrn:    13361-63-2
! inchikey: KHBYKPSFBHWBJQ-UHFFFAOYSA-N
Hvpx___13361_63_2 =  1.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13361_63_2 =  2.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___13361_63_2 =  1.8E+03                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-2-pentyne
! formula:  C_7H_{12}
! trivial:  
! casrn:    999-78-0
! inchikey: FOALCTWKQSWRST-UHFFFAOYSA-N
Hvpx_____999_78_0 =  1.8E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____999_78_0 =  2.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____999_78_0 =  2.0E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-1-pentyne
! formula:  C_7H_{12}
! trivial:  
! casrn:    21020-26-8
! inchikey: WGWGXWSBPXLXTA-UHFFFAOYSA-N
Hvpx___21020_26_8 =  1.7E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___21020_26_8 =  2.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___21020_26_8 =  2.2E+03                                  ! [atm] type: Q, ref: 3579

! species:  1-octyne
! formula:  C_6H_{13}CCH
! trivial:  
! casrn:    629-05-0
! inchikey: UMIPWJGWASORKV-UHFFFAOYSA-N
Hvpx_____629_05_0 =  4.4E+03                                  ! [atm] type: L, ref: 3518
Hvpx_____629_05_0 =  4.4E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____629_05_0 =  4.5E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____629_05_0 =  4.3E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____629_05_0 =  4.3E+03                                  ! [atm] type: V, ref: 635
Hvpx_____629_05_0 =  4.5E+03                                  ! [atm] type: V, ref: 642
Hvpx_____629_05_0 =  4.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____629_05_0 =  1.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____629_05_0 =  1.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____629_05_0 =  5.0E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____629_05_0 =  8.5E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____629_05_0 =  5.4E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____629_05_0 =  4.5E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____629_05_0 =  5.3E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____629_05_0 =  7.6E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____629_05_0 =  3.7E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____629_05_0 =  4.6E+03                                  ! [atm] type: ?, ref: 789
Hvpx_____629_05_0 =  4.5E+03                                  ! [atm] type: ?, ref: 1500

! species:  2-octyne
! formula:  C_8H_{14}
! trivial:  
! casrn:    2809-67-8
! inchikey: QCQALVMFTWRCFI-UHFFFAOYSA-N
Hvpx____2809_67_8 =  4.1E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2809_67_8 =  1.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2809_67_8 =  4.3E+03                                  ! [atm] type: Q, ref: 3579
Hvpx____2809_67_8 =  2.5E+03                                  ! [atm] type: Q, ref: 2521

! species:  3-octyne
! formula:  C_8H_{14}
! trivial:  
! casrn:    15232-76-5
! inchikey: UDEISTCPVNLKRJ-UHFFFAOYSA-N
Hvpx___15232_76_5 =  3.7E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15232_76_5 =  1.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___15232_76_5 =  4.3E+03                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-3-hexyne
! formula:  C_8H_{14}
! trivial:  
! casrn:    4911-60-8
! inchikey: XYBFBXTUWDPXLK-UHFFFAOYSA-N
Hvpx____4911_60_8 =  3.8E+03                                  ! [atm] type: L, ref: 3673

! species:  1-nonyne
! formula:  C_7H_{15}CCH
! trivial:  
! casrn:    3452-09-3
! inchikey: OSSQSXOTMIGBCF-UHFFFAOYSA-N
Hvpx____3452_09_3 =  6.4E+03                                  ! [atm] type: L, ref: 3518
Hvpx____3452_09_3 =  5.7E+03                                  ! [atm] type: L, ref: 3673
Hvpx____3452_09_3 =  7.9E+03                                  ! [atm] type: V, ref: 3586
Hvpx____3452_09_3 =  7.9E+03                                  ! [atm] type: V, ref: 1145
Hvpx____3452_09_3 =  8.0E+03                                  ! [atm] type: V, ref: 642
Hvpx____3452_09_3 =  7.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3452_09_3 =  1.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____3452_09_3 =  2.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____3452_09_3 =  7.0E+03                                  ! [atm] type: Q, ref: 3579
Hvpx____3452_09_3 =  1.2E+04                                  ! [atm] type: Q, ref: 2521
Hvpx____3452_09_3 =  6.7E+03                                  ! [atm] type: Q, ref: 2530
Hvpx____3452_09_3 =  8.0E+03                                  ! [atm] type: Q, ref: 2535
Hvpx____3452_09_3 =  6.9E+03                                  ! [atm] type: Q, ref: 2543
Hvpx____3452_09_3 =  9.8E+03                                  ! [atm] type: Q, ref: 1162
Hvpx____3452_09_3 =  4.9E+03                                  ! [atm] type: Q, ref: 1145
Hvpx____3452_09_3 =  4.7E+03                                  ! [atm] type: Q, ref: 2482
Hvpx____3452_09_3 =  7.9E+03                                  ! [atm] type: ?, ref: 789
Hvpx____3452_09_3 =  8.0E+03                                  ! [atm] type: ?, ref: 1500

! species:  2-nonyne
! formula:  C_9H_{16}
! trivial:  
! casrn:    19447-29-1
! inchikey: LXKRETAGISZJAD-UHFFFAOYSA-N
Hvpx___19447_29_1 =  7.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19447_29_1 =  2.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___19447_29_1 =  6.6E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-nonyne
! formula:  C_9H_{16}
! trivial:  
! casrn:    20184-89-8
! inchikey: SRRDSRCWRHKEKU-UHFFFAOYSA-N
Hvpx___20184_89_8 =  7.0E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20184_89_8 =  2.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___20184_89_8 =  6.6E+03                                  ! [atm] type: Q, ref: 3579

! species:  2,2,5-trimethyl-3-hexyne
! formula:  C_9H_{16}
! trivial:  
! casrn:    17530-23-3
! inchikey: DKFPMSNUJIRAMR-UHFFFAOYSA-N
Hvpx___17530_23_3 =  9.9E+03                                  ! [atm] type: L, ref: 3673

! species:  2,2,5,5-tetramethyl-3-hexyne
! formula:  C_{10}H_{18}
! trivial:  
! casrn:    17530-24-4
! inchikey: FXVDWKZNFZMSOU-UHFFFAOYSA-N
Hvpx___17530_24_4 =  1.6E+04                                  ! [atm] type: L, ref: 3673

! species:  1-decyne
! formula:  C_{10}H_{18}
! trivial:  
! casrn:    764-93-2
! inchikey: ILLHQJIJCRNRCJ-UHFFFAOYSA-N
Hvpx_____764_93_2 =  8.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____764_93_2 =  1.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____764_93_2 =  9.0E+03                                  ! [atm] type: Q, ref: 3579

! species:  2-decyne
! formula:  C_{10}H_{18}
! trivial:  
! casrn:    2384-70-5
! inchikey: RWDDSTHSVISBEA-UHFFFAOYSA-N
Hvpx____2384_70_5 =  1.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2384_70_5 =  1.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2384_70_5 =  9.2E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-decyne
! formula:  C_{10}H_{18}
! trivial:  
! casrn:    2384-85-2
! inchikey: JUWXVJKQNKKRLD-UHFFFAOYSA-N
Hvpx____2384_85_2 =  1.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2384_85_2 =  2.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____2384_85_2 =  9.2E+03                                  ! [atm] type: Q, ref: 3579

! species:  1-undecyne
! formula:  C_{11}H_{20}
! trivial:  
! casrn:    2243-98-3
! inchikey: YVSFLVNWJIEJRV-UHFFFAOYSA-N
Hvpx____2243_98_3 =  9.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2243_98_3 =  1.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2-undecyne
! formula:  C_{11}H_{20}
! trivial:  
! casrn:    60212-29-5
! inchikey: XZSXEDPHMIFYOS-UHFFFAOYSA-N
Hvpx___60212_29_5 =  1.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60212_29_5 =  1.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___60212_29_5 =  1.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-undecyne
! formula:  C_{11}H_{20}
! trivial:  
! casrn:    60212-30-8
! inchikey: DPWGJNPCPLQVKQ-UHFFFAOYSA-N
Hvpx___60212_30_8 =  1.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60212_30_8 =  2.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___60212_30_8 =  1.1E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-dodecyne
! formula:  C_{12}H_{22}
! trivial:  
! casrn:    765-03-7
! inchikey: ZVDBUOGYYYNMQI-UHFFFAOYSA-N
Hvpx_____765_03_7 =  9.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____765_03_7 =  1.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____765_03_7 =  1.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  2-dodecyne
! formula:  C_{12}H_{22}
! trivial:  
! casrn:    629-49-2
! inchikey: NDIJGAGRSOPRNJ-UHFFFAOYSA-N
Hvpx_____629_49_2 =  1.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____629_49_2 =  1.5E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____629_49_2 =  1.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-dodecyne
! formula:  C_{12}H_{22}
! trivial:  
! casrn:    6790-27-8
! inchikey: ZFAGQZXKTQFQLE-UHFFFAOYSA-N
Hvpx____6790_27_8 =  1.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6790_27_8 =  1.8E+04                                  ! [atm] type: Q, ref: 3406
Hvpx____6790_27_8 =  1.2E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-tridecyne
! formula:  C_{13}H_{24}
! trivial:  
! casrn:    26186-02-7
! inchikey: GZEDKDBFUBPZNG-UHFFFAOYSA-N
Hvpx___26186_02_7 =  7.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___26186_02_7 =  1.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___26186_02_7 =  8.4E+03                                  ! [atm] type: Q, ref: 3579

! species:  2-tridecyne
! formula:  C_{13}H_{24}
! trivial:  
! casrn:    28467-75-6
! inchikey: ZGKKGWBQPYIOBH-UHFFFAOYSA-N
Hvpx___28467_75_6 =  8.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___28467_75_6 =  1.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___28467_75_6 =  1.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  3-tridecyne
! formula:  C_{13}H_{24}
! trivial:  
! casrn:    60186-78-9
! inchikey: HDLJOUCNTFYRPD-UHFFFAOYSA-N
Hvpx___60186_78_9 =  9.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60186_78_9 =  1.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___60186_78_9 =  1.0E+04                                  ! [atm] type: Q, ref: 3579

! species:  1-tetradecyne
! formula:  C_{14}H_{26}
! trivial:  
! casrn:    765-10-6
! inchikey: DZEFNRWGWQDGTR-UHFFFAOYSA-N
Hvpx_____765_10_6 =  7.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____765_10_6 =  1.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____765_10_6 =  5.5E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-tetradecyne
! formula:  C_{14}H_{26}
! trivial:  
! casrn:    60212-32-0
! inchikey: DWWMJIDVLGUCDE-UHFFFAOYSA-N
Hvpx___60212_32_0 =  6.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60212_32_0 =  1.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___60212_32_0 =  6.8E+03                                  ! [atm] type: Q, ref: 3579

! species:  1-pentadecyne
! formula:  C_{15}H_{28}
! trivial:  
! casrn:    765-13-9
! inchikey: DONJGKADZJEXRJ-UHFFFAOYSA-N
Hvpx_____765_13_9 =  2.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____765_13_9 =  1.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____765_13_9 =  2.8E+03                                  ! [atm] type: Q, ref: 3579

! species:  2-pentadecyne
! formula:  C_{15}H_{28}
! trivial:  
! casrn:    52112-25-1
! inchikey: VWWAVTXUUYIIEE-UHFFFAOYSA-N
Hvpx___52112_25_1 =  2.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52112_25_1 =  1.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___52112_25_1 =  3.6E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-pentadecyne
! formula:  C_{15}H_{28}
! trivial:  
! casrn:    61886-61-1
! inchikey: RUHQUJVXUGQUNY-UHFFFAOYSA-N
Hvpx___61886_61_1 =  3.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61886_61_1 =  1.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___61886_61_1 =  3.6E+03                                  ! [atm] type: Q, ref: 3579

! species:  1-hexadecyne
! formula:  C_{16}H_{30}
! trivial:  
! casrn:    629-74-3
! inchikey: UCIDYSLOTJMRAM-UHFFFAOYSA-N
Hvpx_____629_74_3 =  6.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____629_74_3 =  1.1E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-hexadecyne
! formula:  C_{16}H_{30}
! trivial:  
! casrn:    61886-62-2
! inchikey: HRFPRVYNMNOAQO-UHFFFAOYSA-N
Hvpx___61886_62_2 =  1.7E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61886_62_2 =  1.6E+04                                  ! [atm] type: Q, ref: 3406
Hvpx___61886_62_2 =  1.4E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-buten-1-yne
! formula:  CH_2CHCCH
! trivial:  vinylacetylene
! casrn:    689-97-4
! inchikey: WFYPICNXBKQZGB-UHFFFAOYSA-N
Hvpx_____689_97_4 =  1.3E+03 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____689_97_4 =  1.5E+03 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____689_97_4 =  1.4E+03 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2551
Hvpx_____689_97_4 =  1.6E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____689_97_4 =  1.6E+03                                  ! [atm] type: V, ref: 3088
Hvpx_____689_97_4 =  4.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____689_97_4 =  5.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____689_97_4 =  1.5E+03                                  ! [atm] type: ?, ref: 2440

! species:  butadiyne
! formula:  C_4H_2
! trivial:  biacetylene
! casrn:    460-12-8
! inchikey: LLCSWKVOHICRDD-UHFFFAOYSA-N
Hvpx_____460_12_8 =  2.8E+02                                  ! [atm] type: C, ref: 2550
Hvpx_____460_12_8 =  2.0E+00                                  ! [atm] type: Q, ref: 3728
Hvpx_____460_12_8 =  6.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____460_12_8 =  2.8E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____460_12_8 =  2.8E+02                                  ! [atm] type: ?, ref: 789

! species:  1,6-heptadiyne
! formula:  C_7H_8
! trivial:  
! casrn:    2396-63-6
! inchikey: RSPZSDWVQWRAEF-UHFFFAOYSA-N
Hvpx____2396_63_6 =  1.2E+02                                  ! [atm] type: L, ref: 3673

! species:  1,8-nonadiyne
! formula:  C_9H_{12}
! trivial:  
! casrn:    2396-65-8
! inchikey: DMOVPHYFYSASTC-UHFFFAOYSA-N
Hvpx____2396_65_8 =  1.8E+02                                  ! [atm] type: L, ref: 3673

! species:  benzene
! formula:  C_6H_6
! trivial:  
! casrn:    71-43-2
! inchikey: UHOVQNZJYSORNB-UHFFFAOYSA-N
Hvpx______71_43_2 =  3.0E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______71_43_2 =  3.1E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______71_43_2 =  3.2E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______71_43_2 =  3.1E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______71_43_2 =  3.3E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: L, ref: 479
Hvpx______71_43_2 =  3.3E+02                                  ! [atm] type: M, ref: 3032
Hvpx______71_43_2 =  3.0E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______71_43_2 =  2.0E+02 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2921
Hvpx______71_43_2 =  1.5E+02                                  ! [atm] type: M, ref: 2921
Hvpx______71_43_2 =  3.9E+02 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2982
Hvpx______71_43_2 =  3.2E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2645
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: M, ref: 2970
Hvpx______71_43_2 =  2.2E+02                                  ! [atm] type: M, ref: 2954
Hvpx______71_43_2 =  3.9E+02 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2996
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: M, ref: 1922
Hvpx______71_43_2 =  3.1E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2923
Hvpx______71_43_2 =  3.3E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2953
Hvpx______71_43_2 =  2.9E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2522
Hvpx______71_43_2 =  2.6E+02                                  ! [atm] type: M, ref: 3081
Hvpx______71_43_2 =  3.3E+02                                  ! [atm] type: M, ref: 3081
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: M, ref: 1928
Hvpx______71_43_2 =  1.5E+02                                  ! [atm] type: M, ref: 1195
Hvpx______71_43_2 =  3.2E+02                                  ! [atm] type: M, ref: 2935
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: M, ref: 2938
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: M, ref: 985
Hvpx______71_43_2 =  2.4E+02                                  ! [atm] type: M, ref: 1114
Hvpx______71_43_2 =  3.8E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1114
Hvpx______71_43_2 =  2.4E+02                                  ! [atm] type: M, ref: 2950
Hvpx______71_43_2 =  3.4E+02                                  ! [atm] type: M, ref: 3646
Hvpx______71_43_2 =  2.9E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 837
Hvpx______71_43_2 =  3.0E+02 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______71_43_2 =  3.8E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2905
Hvpx______71_43_2 =  3.0E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1597
Hvpx______71_43_2 =  3.4E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2463
Hvpx______71_43_2 =  2.6E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 584
Hvpx______71_43_2 =  2.7E+02                                  ! [atm] type: M, ref: 622
Hvpx______71_43_2 =  3.2E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2931
Hvpx______71_43_2 =  3.0E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 599
Hvpx______71_43_2 =  3.2E+02                                  ! [atm] type: M, ref: 637
Hvpx______71_43_2 =  3.1E+02 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 858
Hvpx______71_43_2 =  3.5E+02                                  ! [atm] type: M, ref: 903
Hvpx______71_43_2 =  3.2E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1229
Hvpx______71_43_2 =  3.2E+02                                  ! [atm] type: M, ref: 2457
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: M, ref: 2493
Hvpx______71_43_2 =  3.5E+02                                  ! [atm] type: M, ref: 2937
Hvpx______71_43_2 =  3.2E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1148
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: M, ref: 2983
Hvpx______71_43_2 =  2.9E+02                                  ! [atm] type: M, ref: 3675
Hvpx______71_43_2 =  3.3E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx______71_43_2 =  2.8E+02                                  ! [atm] type: M, ref: 2924
Hvpx______71_43_2 =  3.1E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______71_43_2 =  3.2E+02                                  ! [atm] type: M, ref: 2906
Hvpx______71_43_2 =  2.7E+02                                  ! [atm] type: M, ref: 2448
Hvpx______71_43_2 =  4.1E+02                                  ! [atm] type: M, ref: 2479
Hvpx______71_43_2 =  3.1E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2911
Hvpx______71_43_2 =  3.3E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2453
Hvpx______71_43_2 =  3.1E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx______71_43_2 =  3.3E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2984
Hvpx______71_43_2 =  4.4E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: M, ref: 2900
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: M, ref: 490
Hvpx______71_43_2 =  5.1E+02                                  ! [atm] type: M, ref: 2917
Hvpx______71_43_2 =  3.3E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2922
Hvpx______71_43_2 =  3.0E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2942
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: M, ref: 728
Hvpx______71_43_2 =  4.4E+02                                  ! [atm] type: M, ref: 1492
Hvpx______71_43_2 =  3.1E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2981
Hvpx______71_43_2 =  2.6E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 640
Hvpx______71_43_2 =  3.5E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 791
Hvpx______71_43_2 =  3.6E+02                                  ! [atm] type: M, ref: 2491
Hvpx______71_43_2 =  1.6E+03                                  ! [atm] type: V, ref: 2580
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: V, ref: 2611
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: V, ref: 3081
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: V, ref: 2338
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: V, ref: 2339
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: V, ref: 2905
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: V, ref: 633
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: V, ref: 2439
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: V, ref: 2478
Hvpx______71_43_2 =  3.1E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: V, ref: 1497
Hvpx______71_43_2 =  3.0E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2219
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: V, ref: 2900
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: V, ref: 642
Hvpx______71_43_2 =  3.0E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2471
Hvpx______71_43_2 =  3.1E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx______71_43_2 =  3.1E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx______71_43_2 =  2.8E+02                                  ! [atm] type: V, ref: 3924
Hvpx______71_43_2 =  3.0E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: V, ref: 719
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: V, ref: 790
Hvpx______71_43_2 =  3.1E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: T, ref: 3674
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: T, ref: 490
Hvpx______71_43_2 =  2.0E+02                                  ! [atm] type: T, ref: 766
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______71_43_2 =  3.1E+02 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: C, ref: 3135
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: C, ref: 2165
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: C, ref: 3071
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: C, ref: 2235
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: C, ref: 3083
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: Q, ref: 3682
Hvpx______71_43_2 =  3.9E+02                                  ! [atm] type: Q, ref: 3728
Hvpx______71_43_2 =  7.6E+02                                  ! [atm] type: Q, ref: 3730
Hvpx______71_43_2 =  9.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______71_43_2 =  8.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______71_43_2 =  4.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______71_43_2 =  1.7E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: Q, ref: 3689
Hvpx______71_43_2 =  1.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______71_43_2 =  2.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______71_43_2 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______71_43_2 =  2.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______71_43_2 =  4.5E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______71_43_2 =  3.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______71_43_2 =  2.5E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______71_43_2 =  7.4E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______71_43_2 =  2.5E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______71_43_2 =  7.1E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______71_43_2 =  2.6E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______71_43_2 =  2.5E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: Q, ref: 2481
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______71_43_2 =  4.9E+02                                  ! [atm] type: ?, ref: 3614
Hvpx______71_43_2 =  3.1E+02                                  ! [atm] type: ?, ref: 789
Hvpx______71_43_2 =  3.0E+02                                  ! [atm] type: ?, ref: 1500
Hvpx______71_43_2 =  2.4E+02                                  ! [atm] type: ?, ref: 2233

! species:  benzene-d6
! formula:  C_6D_6
! trivial:  
! casrn:    1076-43-3
! inchikey: UHOVQNZJYSORNB-MZWXYZOWSA-N
Hvpx____1076_43_3 =  3.0E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx____1076_43_3 =  3.3E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 791

! species:  methylbenzene
! formula:  C_6H_5CH_3
! trivial:  toluene
! casrn:    108-88-3
! inchikey: YXFVVABEGXRONW-UHFFFAOYSA-N
Hvpx_____108_88_3 =  3.4E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____108_88_3 =  2.9E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_88_3 =  3.5E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____108_88_3 =  3.4E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____108_88_3 =  3.7E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: L, ref: 479
Hvpx_____108_88_3 =  3.7E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3507
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: M, ref: 3032
Hvpx_____108_88_3 =  2.6E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____108_88_3 =  2.0E+02                                  ! [atm] type: M, ref: 2921
Hvpx_____108_88_3 =  3.3E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2987
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: M, ref: 3007
Hvpx_____108_88_3 =  4.3E+02 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2982
Hvpx_____108_88_3 =  3.5E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2645
Hvpx_____108_88_3 =  3.8E+02                                  ! [atm] type: M, ref: 2955
Hvpx_____108_88_3 =  3.6E+02                                  ! [atm] type: M, ref: 2970
Hvpx_____108_88_3 =  4.2E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3116
Hvpx_____108_88_3 =  3.9E+02                                  ! [atm] type: M, ref: 2954
Hvpx_____108_88_3 =  3.7E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3694
Hvpx_____108_88_3 =  3.9E+02 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2996
Hvpx_____108_88_3 =  4.0E+02                                  ! [atm] type: M, ref: 1922
Hvpx_____108_88_3 =  2.6E+02                                  ! [atm] type: M, ref: 2899
Hvpx_____108_88_3 =  3.3E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2923
Hvpx_____108_88_3 =  2.7E+02                                  ! [atm] type: M, ref: 2497
Hvpx_____108_88_3 =  3.8E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2953
Hvpx_____108_88_3 =  3.3E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2522
Hvpx_____108_88_3 =  5.2E+02                                  ! [atm] type: M, ref: 2969
Hvpx_____108_88_3 =  3.3E+03                                  ! [atm] type: M, ref: 2969
Hvpx_____108_88_3 =  7.0E+02                                  ! [atm] type: M, ref: 2969
Hvpx_____108_88_3 =  2.3E+02                                  ! [atm] type: M, ref: 2969
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: M, ref: 1573
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: M, ref: 1928
Hvpx_____108_88_3 =  2.9E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2896
Hvpx_____108_88_3 =  6.4E+02                                  ! [atm] type: M, ref: 3672
Hvpx_____108_88_3 =  3.7E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx_____108_88_3 =  3.2E+02                                  ! [atm] type: M, ref: 1195
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: M, ref: 2935
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: M, ref: 2938
Hvpx_____108_88_3 =  3.6E+02                                  ! [atm] type: M, ref: 985
Hvpx_____108_88_3 =  2.7E+02                                  ! [atm] type: M, ref: 1114
Hvpx_____108_88_3 =  4.4E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1114
Hvpx_____108_88_3 =  2.7E+02                                  ! [atm] type: M, ref: 2950
Hvpx_____108_88_3 =  3.8E+02                                  ! [atm] type: M, ref: 3646
Hvpx_____108_88_3 =  3.2E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 837
Hvpx_____108_88_3 =  3.2E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____108_88_3 =  4.3E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2905
Hvpx_____108_88_3 =  4.0E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2463
Hvpx_____108_88_3 =  3.6E+02                                  ! [atm] type: M, ref: 2930
Hvpx_____108_88_3 =  3.1E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 584
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: M, ref: 622
Hvpx_____108_88_3 =  3.6E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 599
Hvpx_____108_88_3 =  4.3E+02                                  ! [atm] type: M, ref: 637
Hvpx_____108_88_3 =  3.5E+02 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 858
Hvpx_____108_88_3 =  3.9E+02                                  ! [atm] type: M, ref: 903
Hvpx_____108_88_3 =  3.6E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1229
Hvpx_____108_88_3 =  3.4E+02                                  ! [atm] type: M, ref: 2457
Hvpx_____108_88_3 =  3.4E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: M, ref: 2937
Hvpx_____108_88_3 =  3.4E+02 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 857
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: M, ref: 2983
Hvpx_____108_88_3 =  1.5E+02                                  ! [atm] type: M, ref: 3675
Hvpx_____108_88_3 =  4.0E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx_____108_88_3 =  3.7E+02 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2901
Hvpx_____108_88_3 =  3.7E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____108_88_3 =  3.3E+02                                  ! [atm] type: M, ref: 2906
Hvpx_____108_88_3 =  3.3E+02                                  ! [atm] type: M, ref: 2479
Hvpx_____108_88_3 =  4.7E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1331
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: M, ref: 2902
Hvpx_____108_88_3 =  3.6E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2453
Hvpx_____108_88_3 =  3.6E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx_____108_88_3 =  3.4E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2984
Hvpx_____108_88_3 =  3.6E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx_____108_88_3 =  3.3E+02                                  ! [atm] type: M, ref: 2900
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: M, ref: 490
Hvpx_____108_88_3 =  6.3E+02                                  ! [atm] type: M, ref: 2917
Hvpx_____108_88_3 =  3.7E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2922
Hvpx_____108_88_3 =  2.9E+02                                  ! [atm] type: M, ref: 728
Hvpx_____108_88_3 =  3.5E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2981
Hvpx_____108_88_3 =  2.7E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 640
Hvpx_____108_88_3 =  3.3E+02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 791
Hvpx_____108_88_3 =  3.3E+02                                  ! [atm] type: V, ref: 3678
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: V, ref: 2611
Hvpx_____108_88_3 =  2.9E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx_____108_88_3 =  3.6E+02                                  ! [atm] type: V, ref: 2338
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: V, ref: 2905
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: V, ref: 633
Hvpx_____108_88_3 =  4.1E+02                                  ! [atm] type: V, ref: 2439
Hvpx_____108_88_3 =  3.3E+02                                  ! [atm] type: V, ref: 2478
Hvpx_____108_88_3 =  3.6E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: V, ref: 1497
Hvpx_____108_88_3 =  2.9E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2219
Hvpx_____108_88_3 =  3.6E+02                                  ! [atm] type: V, ref: 2900
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: V, ref: 642
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: V, ref: 2471
Hvpx_____108_88_3 =  3.1E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx_____108_88_3 =  3.3E+02                                  ! [atm] type: V, ref: 3924
Hvpx_____108_88_3 =  3.1E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: V, ref: 719
Hvpx_____108_88_3 =  3.0E+02                                  ! [atm] type: V, ref: 790
Hvpx_____108_88_3 =  3.4E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: T, ref: 3674
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: T, ref: 490
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_88_3 =  3.6E+02 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: X, ref: mcauliffe71
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: C, ref: 3135
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: C, ref: 2165
Hvpx_____108_88_3 =  3.3E+02                                  ! [atm] type: C, ref: 3071
Hvpx_____108_88_3 =  3.8E+02                                  ! [atm] type: C, ref: 2235
Hvpx_____108_88_3 =  3.3E+02                                  ! [atm] type: C, ref: 3083
Hvpx_____108_88_3 =  3.8E+02                                  ! [atm] type: Q, ref: 3682
Hvpx_____108_88_3 =  4.4E+02                                  ! [atm] type: Q, ref: 3728
Hvpx_____108_88_3 =  5.6E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_88_3 =  1.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_88_3 =  1.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_88_3 =  4.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_88_3 =  1.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: Q, ref: 3689
Hvpx_____108_88_3 =  2.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_88_3 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_88_3 =  4.2E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_88_3 =  3.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_88_3 =  4.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_88_3 =  7.6E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_88_3 =  3.3E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_88_3 =  2.0E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____108_88_3 =  4.5E+02                                  ! [atm] type: Q, ref: 2481
Hvpx_____108_88_3 =  3.7E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_88_3 =  6.0E+02                                  ! [atm] type: ?, ref: 3614
Hvpx_____108_88_3 =  3.5E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____108_88_3 =  3.6E+02                                  ! [atm] type: ?, ref: 1500
Hvpx_____108_88_3 =  2.9E+02                                  ! [atm] type: ?, ref: 2233

! species:  methylbenzene-d8
! formula:  C_6D_5CD_3
! trivial:  toluene-d8
! casrn:    2037-26-5
! inchikey: YXFVVABEGXRONW-JGUCLWPXSA-N
Hvpx____2037_26_5 =  2.8E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,2-dimethylbenzene
! formula:  C_6H_4(CH_3)_2
! trivial:  $o$-xylene
! casrn:    95-47-6
! inchikey: CTQNGGLPUBDAKN-UHFFFAOYSA-N
Hvpx______95_47_6 =  2.7E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______95_47_6 =  2.7E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______95_47_6 =  2.3E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______95_47_6 =  2.7E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______95_47_6 =  2.8E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______95_47_6 =  2.8E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______95_47_6 =  2.7E+02                                  ! [atm] type: L, ref: 479
Hvpx______95_47_6 =  2.9E+02                                  ! [atm] type: M, ref: 3032
Hvpx______95_47_6 =  1.7E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______95_47_6 =  2.0E+02 * EXP(  -8500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2921
Hvpx______95_47_6 =  2.5E+02                                  ! [atm] type: M, ref: 2921
Hvpx______95_47_6 =  2.7E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2645
Hvpx______95_47_6 =  2.4E+02                                  ! [atm] type: M, ref: 2970
Hvpx______95_47_6 =  3.2E+02 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3116
Hvpx______95_47_6 =  5.7E+02                                  ! [atm] type: M, ref: 3672
Hvpx______95_47_6 =  2.5E+02                                  ! [atm] type: M, ref: 2938
Hvpx______95_47_6 =  2.4E+02                                  ! [atm] type: M, ref: 3646
Hvpx______95_47_6 =  2.8E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______95_47_6 =  4.0E+02                                  ! [atm] type: M, ref: 2463
Hvpx______95_47_6 =  2.3E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 584
Hvpx______95_47_6 =  2.7E+02 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 599
Hvpx______95_47_6 =  2.8E+02                                  ! [atm] type: M, ref: 2457
Hvpx______95_47_6 =  2.6E+02                                  ! [atm] type: M, ref: 2493
Hvpx______95_47_6 =  2.0E+02                                  ! [atm] type: M, ref: 2937
Hvpx______95_47_6 =  3.8E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 857
Hvpx______95_47_6 =  3.2E+02                                  ! [atm] type: M, ref: 2983
Hvpx______95_47_6 =  2.7E+02 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx______95_47_6 =  2.9E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______95_47_6 =  2.4E+02                                  ! [atm] type: M, ref: 2479
Hvpx______95_47_6 =  2.8E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2453
Hvpx______95_47_6 =  5.4E+02                                  ! [atm] type: M, ref: 2917
Hvpx______95_47_6 =  1.9E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 791
Hvpx______95_47_6 =  3.1E+02                                  ! [atm] type: V, ref: 2611
Hvpx______95_47_6 =  3.0E+02                                  ! [atm] type: V, ref: 2338
Hvpx______95_47_6 =  3.1E+02                                  ! [atm] type: V, ref: 633
Hvpx______95_47_6 =  2.4E+02                                  ! [atm] type: V, ref: 2478
Hvpx______95_47_6 =  3.0E+02                                  ! [atm] type: V, ref: 642
Hvpx______95_47_6 =  2.9E+02                                  ! [atm] type: V, ref: 2471
Hvpx______95_47_6 =  2.9E+02                                  ! [atm] type: V, ref: 3924
Hvpx______95_47_6 =  2.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______95_47_6 =  2.9E+02                                  ! [atm] type: C, ref: 3135
Hvpx______95_47_6 =  4.2E+02                                  ! [atm] type: Q, ref: 3730
Hvpx______95_47_6 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______95_47_6 =  2.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______95_47_6 =  3.5E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______95_47_6 =  1.7E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______95_47_6 =  4.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______95_47_6 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______95_47_6 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______95_47_6 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______95_47_6 =  2.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______95_47_6 =  2.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______95_47_6 =  5.0E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______95_47_6 =  2.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______95_47_6 =  3.2E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______95_47_6 =  1.5E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______95_47_6 =  5.3E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______95_47_6 =  4.8E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______95_47_6 =  2.9E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______95_47_6 =  2.3E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______95_47_6 =  5.1E+02                                  ! [atm] type: ?, ref: 3614
Hvpx______95_47_6 =  2.3E+02                                  ! [atm] type: ?, ref: 789
Hvpx______95_47_6 =  2.9E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,2-dimethylbenzene-d10
! formula:  C_6D_4(CD_3)_2
! trivial:  $o$-xylene-d10
! casrn:    56004-61-6
! inchikey: CTQNGGLPUBDAKN-ZGYYUIRESA-N
Hvpx___56004_61_6 =  1.8E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,3-dimethylbenzene
! formula:  C_6H_4(CH_3)_2
! trivial:  $m$-xylene
! casrn:    108-38-3
! inchikey: IVSZLXZYQVIEFR-UHFFFAOYSA-N
Hvpx_____108_38_3 =  4.0E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____108_38_3 =  3.7E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_38_3 =  3.9E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____108_38_3 =  3.9E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____108_38_3 =  4.1E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx_____108_38_3 =  3.8E+02                                  ! [atm] type: L, ref: 479
Hvpx_____108_38_3 =  4.3E+02                                  ! [atm] type: M, ref: 3032
Hvpx_____108_38_3 =  3.9E+02                                  ! [atm] type: M, ref: 2970
Hvpx_____108_38_3 =  4.1E+02                                  ! [atm] type: M, ref: 1922
Hvpx_____108_38_3 =  8.3E+02                                  ! [atm] type: M, ref: 3672
Hvpx_____108_38_3 =  3.6E+02                                  ! [atm] type: M, ref: 2938
Hvpx_____108_38_3 =  3.6E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____108_38_3 =  3.4E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 584
Hvpx_____108_38_3 =  4.3E+02                                  ! [atm] type: M, ref: 2457
Hvpx_____108_38_3 =  3.6E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____108_38_3 =  4.0E+02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx_____108_38_3 =  4.1E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____108_38_3 =  3.9E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2453
Hvpx_____108_38_3 =  8.5E+02                                  ! [atm] type: M, ref: 2917
Hvpx_____108_38_3 =  3.0E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2922
Hvpx_____108_38_3 =  4.0E+02                                  ! [atm] type: V, ref: 2611
Hvpx_____108_38_3 =  3.1E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx_____108_38_3 =  4.0E+02                                  ! [atm] type: V, ref: 2338
Hvpx_____108_38_3 =  4.0E+02                                  ! [atm] type: V, ref: 633
Hvpx_____108_38_3 =  4.0E+02                                  ! [atm] type: V, ref: 2478
Hvpx_____108_38_3 =  3.5E+02                                  ! [atm] type: V, ref: 642
Hvpx_____108_38_3 =  3.3E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx_____108_38_3 =  3.3E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: V, ref: 719
Hvpx_____108_38_3 =  3.3E+02                                  ! [atm] type: V, ref: 790
Hvpx_____108_38_3 =  3.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_38_3 =  4.0E+02                                  ! [atm] type: C, ref: 3135
Hvpx_____108_38_3 =  4.2E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_38_3 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_38_3 =  2.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_38_3 =  4.5E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_38_3 =  1.9E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_38_3 =  5.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_38_3 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_38_3 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_38_3 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_38_3 =  2.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_38_3 =  3.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_38_3 =  7.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_38_3 =  4.0E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_38_3 =  1.2E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_38_3 =  3.2E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_38_3 =  1.5E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_38_3 =  4.0E+02                                  ! [atm] type: Q, ref: 731
Hvpx_____108_38_3 =  5.3E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_38_3 =  4.8E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____108_38_3 =  4.0E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_38_3 =  3.8E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_38_3 =  8.2E+02                                  ! [atm] type: ?, ref: 3614
Hvpx_____108_38_3 =  3.7E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____108_38_3 =  4.1E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,4-dimethylbenzene
! formula:  C_6H_4(CH_3)_2
! trivial:  $p$-xylene
! casrn:    106-42-3
! inchikey: URLKBWYHVLBVBO-UHFFFAOYSA-N
Hvpx_____106_42_3 =  3.6E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____106_42_3 =  3.8E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____106_42_3 =  2.9E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____106_42_3 =  4.1E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____106_42_3 =  4.0E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____106_42_3 =  4.3E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx_____106_42_3 =  3.9E+02                                  ! [atm] type: L, ref: 479
Hvpx_____106_42_3 =  5.4E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3681
Hvpx_____106_42_3 =  4.3E+02                                  ! [atm] type: M, ref: 3032
Hvpx_____106_42_3 =  3.9E+02                                  ! [atm] type: M, ref: 2970
Hvpx_____106_42_3 =  3.5E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3694
Hvpx_____106_42_3 =  2.7E+02                                  ! [atm] type: M, ref: 2899
Hvpx_____106_42_3 =  8.1E+02                                  ! [atm] type: M, ref: 3672
Hvpx_____106_42_3 =  3.8E+02                                  ! [atm] type: M, ref: 2935
Hvpx_____106_42_3 =  3.7E+02                                  ! [atm] type: M, ref: 2938
Hvpx_____106_42_3 =  3.6E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____106_42_3 =  5.5E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2905
Hvpx_____106_42_3 =  3.3E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 584
Hvpx_____106_42_3 =  4.4E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx_____106_42_3 =  4.3E+02                                  ! [atm] type: M, ref: 2457
Hvpx_____106_42_3 =  3.8E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____106_42_3 =  3.2E+02                                  ! [atm] type: M, ref: 2937
Hvpx_____106_42_3 =  4.6E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx_____106_42_3 =  4.2E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____106_42_3 =  4.1E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2453
Hvpx_____106_42_3 =  9.0E+02                                  ! [atm] type: M, ref: 2917
Hvpx_____106_42_3 =  2.4E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 791
Hvpx_____106_42_3 =  4.4E+02                                  ! [atm] type: V, ref: 3678
Hvpx_____106_42_3 =  3.0E+03                                  ! [atm] type: V, ref: 2580
Hvpx_____106_42_3 =  3.2E+02                                  ! [atm] type: V, ref: 2611
Hvpx_____106_42_3 =  3.8E+02                                  ! [atm] type: V, ref: 2338
Hvpx_____106_42_3 =  3.8E+02                                  ! [atm] type: V, ref: 2905
Hvpx_____106_42_3 =  3.2E+02                                  ! [atm] type: V, ref: 633
Hvpx_____106_42_3 =  3.7E+02                                  ! [atm] type: V, ref: 2439
Hvpx_____106_42_3 =  3.1E+02                                  ! [atm] type: V, ref: 2478
Hvpx_____106_42_3 =  3.5E+02                                  ! [atm] type: V, ref: 642
Hvpx_____106_42_3 =  3.5E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx_____106_42_3 =  3.4E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: V, ref: 719
Hvpx_____106_42_3 =  3.4E+02                                  ! [atm] type: V, ref: 790
Hvpx_____106_42_3 =  3.8E+02                                  ! [atm] type: X, ref: foster94
Hvpx_____106_42_3 =  3.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_42_3 =  3.8E+02                                  ! [atm] type: C, ref: 3135
Hvpx_____106_42_3 =  4.1E+02                                  ! [atm] type: C, ref: 2165
Hvpx_____106_42_3 =  4.2E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____106_42_3 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_42_3 =  2.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_42_3 =  4.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_42_3 =  2.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_42_3 =  5.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_42_3 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_42_3 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_42_3 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_42_3 =  2.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____106_42_3 =  3.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_42_3 =  5.1E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_42_3 =  3.7E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_42_3 =  6.7E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____106_42_3 =  3.2E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_42_3 =  1.4E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_42_3 =  5.3E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____106_42_3 =  4.8E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____106_42_3 =  3.8E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____106_42_3 =  3.4E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____106_42_3 =  8.5E+02                                  ! [atm] type: ?, ref: 3614
Hvpx_____106_42_3 =  3.4E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____106_42_3 =  3.9E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,2,3-trimethylbenzene
! formula:  C_6H_3(CH_3)_3
! trivial:  
! casrn:    526-73-8
! inchikey: FYGHSUNMUKGBRK-UHFFFAOYSA-N
Hvpx_____526_73_8 =  2.3E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____526_73_8 =  2.0E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____526_73_8 =  2.1E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____526_73_8 =  1.8E+02                                  ! [atm] type: L, ref: 479
Hvpx_____526_73_8 =  5.2E+02                                  ! [atm] type: M, ref: 3664
Hvpx_____526_73_8 =  2.3E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2453
Hvpx_____526_73_8 =  1.9E+02                                  ! [atm] type: V, ref: 2611
Hvpx_____526_73_8 =  1.9E+02                                  ! [atm] type: V, ref: 2338
Hvpx_____526_73_8 =  1.7E+02                                  ! [atm] type: V, ref: 1501
Hvpx_____526_73_8 =  1.9E+02                                  ! [atm] type: V, ref: 633
Hvpx_____526_73_8 =  2.0E+02                                  ! [atm] type: V, ref: 2478
Hvpx_____526_73_8 =  4.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____526_73_8 =  3.1E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____526_73_8 =  6.9E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____526_73_8 =  4.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____526_73_8 =  2.5E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____526_73_8 =  1.6E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____526_73_8 =  6.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____526_73_8 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____526_73_8 =  2.2E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____526_73_8 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____526_73_8 =  3.5E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____526_73_8 =  1.8E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____526_73_8 =  6.6E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____526_73_8 =  1.7E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____526_73_8 =  2.7E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____526_73_8 =  1.2E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____526_73_8 =  6.6E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____526_73_8 =  2.4E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____526_73_8 =  4.1E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____526_73_8 =  2.0E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____526_73_8 =  2.6E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,2,4-trimethylbenzene
! formula:  C_6H_3(CH_3)_3
! trivial:  
! casrn:    95-63-6
! inchikey: GWHJZXXIDMPWGX-UHFFFAOYSA-N
Hvpx______95_63_6 =  3.4E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______95_63_6 =  3.3E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______95_63_6 =  3.4E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______95_63_6 =  3.2E+02                                  ! [atm] type: L, ref: 479
Hvpx______95_63_6 =  1.7E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______95_63_6 =  3.2E+02                                  ! [atm] type: M, ref: 2970
Hvpx______95_63_6 =  2.4E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______95_63_6 =  8.7E+02                                  ! [atm] type: M, ref: 3664
Hvpx______95_63_6 =  3.6E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx______95_63_6 =  2.6E+02                                  ! [atm] type: M, ref: 2479
Hvpx______95_63_6 =  3.4E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2453
Hvpx______95_63_6 =  3.1E+02                                  ! [atm] type: V, ref: 2611
Hvpx______95_63_6 =  3.1E+02                                  ! [atm] type: V, ref: 2338
Hvpx______95_63_6 =  3.2E+02                                  ! [atm] type: V, ref: 1501
Hvpx______95_63_6 =  3.1E+02                                  ! [atm] type: V, ref: 633
Hvpx______95_63_6 =  3.4E+02                                  ! [atm] type: V, ref: 2478
Hvpx______95_63_6 =  3.2E+02                                  ! [atm] type: V, ref: 642
Hvpx______95_63_6 =  3.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______95_63_6 =  3.1E+02                                  ! [atm] type: Q, ref: 3730
Hvpx______95_63_6 =  6.9E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______95_63_6 =  4.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______95_63_6 =  2.9E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______95_63_6 =  2.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______95_63_6 =  8.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______95_63_6 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______95_63_6 =  2.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______95_63_6 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______95_63_6 =  3.5E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______95_63_6 =  2.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______95_63_6 =  7.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______95_63_6 =  3.1E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______95_63_6 =  2.7E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______95_63_6 =  1.2E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______95_63_6 =  7.4E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______95_63_6 =  6.8E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______95_63_6 =  6.6E+02                                  ! [atm] type: Q, ref: 2481
Hvpx______95_63_6 =  3.4E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______95_63_6 =  3.8E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______95_63_6 =  3.1E+02                                  ! [atm] type: ?, ref: 789
Hvpx______95_63_6 =  3.5E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,3,5-trimethylbenzene
! formula:  C_6H_3(CH_3)_3
! trivial:  mesitylene
! casrn:    108-67-8
! inchikey: AUHZEENZYGFFBQ-UHFFFAOYSA-N
Hvpx_____108_67_8 =  4.5E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_67_8 =  4.3E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____108_67_8 =  3.3E+02                                  ! [atm] type: L, ref: 479
Hvpx_____108_67_8 =  2.3E+02 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____108_67_8 =  2.8E+02                                  ! [atm] type: M, ref: 1922
Hvpx_____108_67_8 =  3.6E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____108_67_8 =  1.1E+03                                  ! [atm] type: M, ref: 3664
Hvpx_____108_67_8 =  4.2E+02                                  ! [atm] type: M, ref: 2457
Hvpx_____108_67_8 =  3.8E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____108_67_8 =  4.0E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____108_67_8 =  4.8E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2453
Hvpx_____108_67_8 =  5.1E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2984
Hvpx_____108_67_8 =  3.8E+03                                  ! [atm] type: V, ref: 2580
Hvpx_____108_67_8 =  4.3E+02                                  ! [atm] type: V, ref: 2611
Hvpx_____108_67_8 =  4.3E+02                                  ! [atm] type: V, ref: 2338
Hvpx_____108_67_8 =  3.0E+02                                  ! [atm] type: V, ref: 1501
Hvpx_____108_67_8 =  4.3E+02                                  ! [atm] type: V, ref: 633
Hvpx_____108_67_8 =  4.5E+02                                  ! [atm] type: V, ref: 2478
Hvpx_____108_67_8 =  4.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_67_8 =  6.0E+02                                  ! [atm] type: Q, ref: 3728
Hvpx_____108_67_8 =  3.1E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_67_8 =  6.9E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_67_8 =  4.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_67_8 =  5.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_67_8 =  2.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_67_8 =  1.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_67_8 =  3.5E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_67_8 =  3.9E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_67_8 =  6.1E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_67_8 =  3.1E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_67_8 =  1.2E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_67_8 =  6.8E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____108_67_8 =  4.9E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_67_8 =  4.5E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_67_8 =  4.4E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____108_67_8 =  4.3E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,2,3,4-tetramethylbenzene
! formula:  C_{10}H_{14}
! trivial:  
! casrn:    488-23-3
! inchikey: UOHMMEJUHBCKEE-UHFFFAOYSA-N
Hvpx_____488_23_3 =  1.9E+02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518

! species:  1,2,3,5-tetramethylbenzene
! formula:  C_{10}H_{14}
! trivial:  
! casrn:    527-53-7
! inchikey: BFIMMTCNYPIMRN-UHFFFAOYSA-N
Hvpx_____527_53_7 =  4.4E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____527_53_7 =  2.5E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____527_53_7 =  2.5E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____527_53_7 =  1.3E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____527_53_7 =  4.5E+02                                  ! [atm] type: ?, ref: 2440

! species:  1,2,4,5-tetramethylbenzene
! formula:  C_{10}H_{14}
! trivial:  
! casrn:    95-93-2
! inchikey: SQNZJJAZBFDUTD-UHFFFAOYSA-N
Hvpx______95_93_2 =  4.0E+02                                  ! [atm] type: L, ref: 3518
Hvpx______95_93_2 =  4.1E+02                                  ! [atm] type: L, ref: 3673
Hvpx______95_93_2 =  1.4E+03                                  ! [atm] type: L, ref: 479
Hvpx______95_93_2 =  1.4E+03                                  ! [atm] type: V, ref: 2611
Hvpx______95_93_2 =  1.4E+03                                  ! [atm] type: V, ref: 633
Hvpx______95_93_2 =  1.4E+03                                  ! [atm] type: V, ref: 2478
Hvpx______95_93_2 =  1.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______95_93_2 =  4.0E+02                                  ! [atm] type: Q, ref: 3627
Hvpx______95_93_2 =  1.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______95_93_2 =  4.4E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______95_93_2 =  2.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______95_93_2 =  2.8E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______95_93_2 =  1.3E+03                                  ! [atm] type: Q, ref: 2995
Hvpx______95_93_2 =  1.5E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______95_93_2 =  1.9E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______95_93_2 =  6.6E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______95_93_2 =  1.4E+03                                  ! [atm] type: Q, ref: 2535
Hvpx______95_93_2 =  1.4E+03                                  ! [atm] type: ?, ref: 789

! species:  ethylbenzene
! formula:  C_6H_5C_2H_5
! trivial:  
! casrn:    100-41-4
! inchikey: YNQLUTRBYVCPMQ-UHFFFAOYSA-N
Hvpx_____100_41_4 =  4.0E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____100_41_4 =  4.3E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____100_41_4 =  3.9E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____100_41_4 =  4.3E+02 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____100_41_4 =  4.3E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____100_41_4 =  4.4E+02 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx_____100_41_4 =  4.4E+02                                  ! [atm] type: L, ref: 479
Hvpx_____100_41_4 =  4.3E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3681
Hvpx_____100_41_4 =  2.7E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____100_41_4 =  2.8E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2921
Hvpx_____100_41_4 =  3.8E+02                                  ! [atm] type: M, ref: 2921
Hvpx_____100_41_4 =  4.3E+02 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2645
Hvpx_____100_41_4 =  3.9E+02                                  ! [atm] type: M, ref: 2970
Hvpx_____100_41_4 =  4.7E+02 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3116
Hvpx_____100_41_4 =  5.1E+02                                  ! [atm] type: M, ref: 2954
Hvpx_____100_41_4 =  3.4E+02                                  ! [atm] type: M, ref: 1928
Hvpx_____100_41_4 =  5.2E+02                                  ! [atm] type: M, ref: 2935
Hvpx_____100_41_4 =  4.3E+02                                  ! [atm] type: M, ref: 985
Hvpx_____100_41_4 =  3.8E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____100_41_4 =  4.9E+02                                  ! [atm] type: M, ref: 2463
Hvpx_____100_41_4 =  3.6E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 584
Hvpx_____100_41_4 =  4.3E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 599
Hvpx_____100_41_4 =  4.3E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1229
Hvpx_____100_41_4 =  4.2E+02                                  ! [atm] type: M, ref: 2457
Hvpx_____100_41_4 =  4.1E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____100_41_4 =  2.2E+02                                  ! [atm] type: M, ref: 2937
Hvpx_____100_41_4 =  5.0E+02 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx_____100_41_4 =  4.4E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____100_41_4 =  4.3E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2912
Hvpx_____100_41_4 =  4.3E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2453
Hvpx_____100_41_4 =  4.0E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2984
Hvpx_____100_41_4 =  4.0E+02 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx_____100_41_4 =  3.6E+02                                  ! [atm] type: M, ref: 2900
Hvpx_____100_41_4 =  4.7E+02                                  ! [atm] type: M, ref: 490
Hvpx_____100_41_4 =  8.3E+02                                  ! [atm] type: M, ref: 2917
Hvpx_____100_41_4 =  4.2E+02 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2981
Hvpx_____100_41_4 =  3.4E+02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 640
Hvpx_____100_41_4 =  3.3E+03                                  ! [atm] type: V, ref: 2580
Hvpx_____100_41_4 =  4.8E+02                                  ! [atm] type: V, ref: 2611
Hvpx_____100_41_4 =  4.6E+02                                  ! [atm] type: V, ref: 2338
Hvpx_____100_41_4 =  4.6E+02                                  ! [atm] type: V, ref: 477
Hvpx_____100_41_4 =  4.8E+02                                  ! [atm] type: V, ref: 633
Hvpx_____100_41_4 =  4.7E+02                                  ! [atm] type: V, ref: 2439
Hvpx_____100_41_4 =  5.5E+02                                  ! [atm] type: V, ref: 2478
Hvpx_____100_41_4 =  4.4E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: V, ref: 1497
Hvpx_____100_41_4 =  3.5E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2219
Hvpx_____100_41_4 =  3.6E+02                                  ! [atm] type: V, ref: 2900
Hvpx_____100_41_4 =  4.8E+02                                  ! [atm] type: V, ref: 642
Hvpx_____100_41_4 =  3.6E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx_____100_41_4 =  4.1E+02                                  ! [atm] type: V, ref: 3924
Hvpx_____100_41_4 =  3.5E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: V, ref: 719
Hvpx_____100_41_4 =  3.5E+02                                  ! [atm] type: V, ref: 790
Hvpx_____100_41_4 =  4.0E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: T, ref: 3626
Hvpx_____100_41_4 =  4.8E+02                                  ! [atm] type: T, ref: 490
Hvpx_____100_41_4 =  4.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____100_41_4 =  3.5E+02 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____100_41_4 =  4.4E+02                                  ! [atm] type: C, ref: 3135
Hvpx_____100_41_4 =  3.5E+02                                  ! [atm] type: C, ref: 2235
Hvpx_____100_41_4 =  3.6E+02                                  ! [atm] type: C, ref: 3083
Hvpx_____100_41_4 =  5.6E+02                                  ! [atm] type: Q, ref: 3728
Hvpx_____100_41_4 =  4.2E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____100_41_4 =  1.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_41_4 =  1.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____100_41_4 =  5.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____100_41_4 =  1.9E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____100_41_4 =  3.8E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____100_41_4 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_41_4 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_41_4 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_41_4 =  5.2E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____100_41_4 =  4.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_41_4 =  5.7E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_41_4 =  4.7E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____100_41_4 =  9.5E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____100_41_4 =  3.8E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____100_41_4 =  1.3E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____100_41_4 =  3.5E+02                                  ! [atm] type: Q, ref: 731
Hvpx_____100_41_4 =  4.8E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____100_41_4 =  4.1E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____100_41_4 =  4.2E+02                                  ! [atm] type: Q, ref: 2481
Hvpx_____100_41_4 =  4.4E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____100_41_4 =  4.5E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____100_41_4 =  8.0E+02                                  ! [atm] type: ?, ref: 3614
Hvpx_____100_41_4 =  4.8E+02                                  ! [atm] type: ?, ref: 637
Hvpx_____100_41_4 =  4.5E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____100_41_4 =  4.5E+02                                  ! [atm] type: ?, ref: 1500

! species:  ethylbenzene-d10
! formula:  C_6D_5C_2D_5
! trivial:  
! casrn:    25837-05-2
! inchikey: YNQLUTRBYVCPMQ-CFTAVCBPSA-N
Hvpx___25837_05_2 =  2.7E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,2-diethylbenzene
! formula:  C_{10}H_{14}
! trivial:  $o$-diethylbenzene
! casrn:    135-01-3
! inchikey: KVNYFPKFSJIPBJ-UHFFFAOYSA-N
Hvpx_____135_01_3 =  1.4E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____135_01_3 =  1.4E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____135_01_3 =  4.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____135_01_3 =  4.6E+02                                  ! [atm] type: C, ref: 2521
Hvpx_____135_01_3 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____135_01_3 =  1.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____135_01_3 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____135_01_3 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____135_01_3 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____135_01_3 =  4.9E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____135_01_3 =  4.3E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____135_01_3 =  4.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____135_01_3 =  1.5E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____135_01_3 =  9.8E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____135_01_3 =  4.3E+02                                  ! [atm] type: ?, ref: 2440

! species:  1,3-diethylbenzene
! formula:  C_{10}H_{14}
! trivial:  $m$-diethylbenzene
! casrn:    141-93-5
! inchikey: AFZZYIJIWUTJFO-UHFFFAOYSA-N
Hvpx_____141_93_5 =  4.6E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____141_93_5 =  4.9E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____141_93_5 =  4.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____141_93_5 =  1.5E+02                                  ! [atm] type: C, ref: 2521
Hvpx_____141_93_5 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____141_93_5 =  1.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____141_93_5 =  4.9E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____141_93_5 =  5.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____141_93_5 =  1.2E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____141_93_5 =  9.8E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____141_93_5 =  4.1E+02                                  ! [atm] type: ?, ref: 2440

! species:  1,4-diethylbenzene
! formula:  C_{10}H_{14}
! trivial:  $p$-diethylbenzene
! casrn:    105-05-5
! inchikey: DSNHSQKRULAAEI-UHFFFAOYSA-N
Hvpx_____105_05_5 =  4.2E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____105_05_5 =  4.0E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____105_05_5 =  4.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____105_05_5 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____105_05_5 =  1.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____105_05_5 =  4.9E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____105_05_5 =  5.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____105_05_5 =  7.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____105_05_5 =  4.0E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____105_05_5 =  9.6E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____105_05_5 =  6.9E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____105_05_5 =  4.4E+02                                  ! [atm] type: ?, ref: 2440

! species:  propylbenzene
! formula:  C_6H_5C_3H_7
! trivial:  
! casrn:    103-65-1
! inchikey: ODLMAHJVESYWTB-UHFFFAOYSA-N
Hvpx_____103_65_1 =  6.1E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____103_65_1 =  6.0E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____103_65_1 =  6.0E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____103_65_1 =  3.8E+02                                  ! [atm] type: L, ref: 479
Hvpx_____103_65_1 =  2.9E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____103_65_1 =  3.7E+02                                  ! [atm] type: M, ref: 1922
Hvpx_____103_65_1 =  5.0E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____103_65_1 =  6.3E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1229
Hvpx_____103_65_1 =  5.9E+02                                  ! [atm] type: M, ref: 2457
Hvpx_____103_65_1 =  6.0E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____103_65_1 =  6.1E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____103_65_1 =  5.8E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2453
Hvpx_____103_65_1 =  1.1E+03                                  ! [atm] type: M, ref: 2917
Hvpx_____103_65_1 =  5.7E+02                                  ! [atm] type: V, ref: 2611
Hvpx_____103_65_1 =  5.7E+02                                  ! [atm] type: V, ref: 2338
Hvpx_____103_65_1 =  5.7E+02                                  ! [atm] type: V, ref: 633
Hvpx_____103_65_1 =  5.6E+02                                  ! [atm] type: V, ref: 2478
Hvpx_____103_65_1 =  5.6E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: V, ref: 1497
Hvpx_____103_65_1 =  3.7E+02 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2219
Hvpx_____103_65_1 =  5.5E+02                                  ! [atm] type: V, ref: 642
Hvpx_____103_65_1 =  5.7E+02 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: T, ref: 3626
Hvpx_____103_65_1 =  7.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____103_65_1 =  3.1E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____103_65_1 =  1.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____103_65_1 =  2.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____103_65_1 =  8.3E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____103_65_1 =  2.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____103_65_1 =  5.5E+02                                  ! [atm] type: Q, ref: 3689
Hvpx_____103_65_1 =  5.5E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____103_65_1 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____103_65_1 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____103_65_1 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____103_65_1 =  6.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____103_65_1 =  5.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____103_65_1 =  6.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____103_65_1 =  5.4E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____103_65_1 =  5.1E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____103_65_1 =  1.1E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____103_65_1 =  4.2E+02                                  ! [atm] type: Q, ref: 731
Hvpx_____103_65_1 =  6.2E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____103_65_1 =  5.1E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____103_65_1 =  5.8E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____103_65_1 =  3.2E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____103_65_1 =  1.1E+03                                  ! [atm] type: ?, ref: 3614
Hvpx_____103_65_1 =  5.7E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____103_65_1 =  5.6E+02                                  ! [atm] type: ?, ref: 1500

! species:  (2-propyl)-benzene
! formula:  C_6H_5C_3H_7
! trivial:  isopropylbenzene; cumene
! casrn:    98-82-8
! inchikey: RWGFKTVRMDUZSP-UHFFFAOYSA-N
Hvpx______98_82_8 =  6.1E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______98_82_8 =  4.6E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______98_82_8 =  6.5E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______98_82_8 =  7.1E+01                                  ! [atm] type: L, ref: 479
Hvpx______98_82_8 =  3.9E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______98_82_8 =  5.3E+02 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______98_82_8 =  6.3E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx______98_82_8 =  6.0E+02                                  ! [atm] type: M, ref: 2457
Hvpx______98_82_8 =  6.2E+02                                  ! [atm] type: M, ref: 2493
Hvpx______98_82_8 =  3.4E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______98_82_8 =  6.2E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2453
Hvpx______98_82_8 =  9.8E+02                                  ! [atm] type: M, ref: 2917
Hvpx______98_82_8 =  8.0E+02                                  ! [atm] type: V, ref: 2611
Hvpx______98_82_8 =  8.0E+02                                  ! [atm] type: V, ref: 2338
Hvpx______98_82_8 =  8.0E+02                                  ! [atm] type: V, ref: 633
Hvpx______98_82_8 =  8.0E+02                                  ! [atm] type: V, ref: 2439
Hvpx______98_82_8 =  8.3E+02                                  ! [atm] type: V, ref: 2478
Hvpx______98_82_8 =  8.2E+02                                  ! [atm] type: V, ref: 642
Hvpx______98_82_8 =  8.1E+02                                  ! [atm] type: V, ref: 2471
Hvpx______98_82_8 =  5.1E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx______98_82_8 =  5.0E+02                                  ! [atm] type: V, ref: 3924
Hvpx______98_82_8 =  8.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______98_82_8 =  3.1E+02                                  ! [atm] type: Q, ref: 3730
Hvpx______98_82_8 =  4.6E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______98_82_8 =  1.9E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______98_82_8 =  1.0E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______98_82_8 =  1.9E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______98_82_8 =  5.8E+02                                  ! [atm] type: Q, ref: 3025
Hvpx______98_82_8 =  6.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______98_82_8 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______98_82_8 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______98_82_8 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______98_82_8 =  6.2E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______98_82_8 =  6.3E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______98_82_8 =  7.1E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______98_82_8 =  1.5E+03                                  ! [atm] type: Q, ref: 3731
Hvpx______98_82_8 =  4.6E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______98_82_8 =  1.2E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______98_82_8 =  5.9E+02                                  ! [atm] type: Q, ref: 984
Hvpx______98_82_8 =  6.8E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______98_82_8 =  5.9E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______98_82_8 =  6.4E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______98_82_8 =  8.0E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______98_82_8 =  9.4E+02                                  ! [atm] type: ?, ref: 3614
Hvpx______98_82_8 =  8.0E+02                                  ! [atm] type: ?, ref: 637
Hvpx______98_82_8 =  8.1E+02                                  ! [atm] type: ?, ref: 789
Hvpx______98_82_8 =  6.2E+02                                  ! [atm] type: ?, ref: 1500

! species:  1-ethyl-2-methylbenzene
! formula:  C_6H_4CH_3C_2H_5
! trivial:  $o$-ethyltoluene
! casrn:    611-14-3
! inchikey: HYFLWBNQFMXCPA-UHFFFAOYSA-N
Hvpx_____611_14_3 =  3.0E+02                                  ! [atm] type: L, ref: 3673
Hvpx_____611_14_3 =  2.3E+02                                  ! [atm] type: L, ref: 479
Hvpx_____611_14_3 =  3.1E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____611_14_3 =  2.9E+02                                  ! [atm] type: V, ref: 2611
Hvpx_____611_14_3 =  2.9E+02                                  ! [atm] type: V, ref: 633
Hvpx_____611_14_3 =  2.9E+02                                  ! [atm] type: V, ref: 2478
Hvpx_____611_14_3 =  2.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____611_14_3 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____611_14_3 =  3.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____611_14_3 =  4.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____611_14_3 =  1.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____611_14_3 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____611_14_3 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____611_14_3 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____611_14_3 =  3.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____611_14_3 =  3.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____611_14_3 =  6.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____611_14_3 =  2.2E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____611_14_3 =  1.1E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____611_14_3 =  5.8E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____611_14_3 =  2.5E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____611_14_3 =  2.3E+02                                  ! [atm] type: ?, ref: 789

! species:  1-ethyl-3-methylbenzene
! formula:  C_6H_4CH_3C_2H_5
! trivial:  $m$-ethyltoluene
! casrn:    620-14-4
! inchikey: ZLCSFXXPPANWQY-UHFFFAOYSA-N
Hvpx_____620_14_4 =  3.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____620_14_4 =  3.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____620_14_4 =  5.6E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____620_14_4 =  2.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____620_14_4 =  3.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____620_14_4 =  4.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____620_14_4 =  3.2E+02                                  ! [atm] type: ?, ref: 2440

! species:  1-ethyl-4-methylbenzene
! formula:  C_6H_4CH_3C_2H_5
! trivial:  $p$-ethyltoluene
! casrn:    622-96-8
! inchikey: JRLPEMVDPFPYPJ-UHFFFAOYSA-N
Hvpx_____622_96_8 =  2.7E+02                                  ! [atm] type: L, ref: 479
Hvpx_____622_96_8 =  2.8E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____622_96_8 =  3.4E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____622_96_8 =  2.7E+02                                  ! [atm] type: V, ref: 2611
Hvpx_____622_96_8 =  2.7E+02                                  ! [atm] type: V, ref: 633
Hvpx_____622_96_8 =  2.7E+02                                  ! [atm] type: V, ref: 2478
Hvpx_____622_96_8 =  2.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____622_96_8 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____622_96_8 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____622_96_8 =  3.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____622_96_8 =  4.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____622_96_8 =  2.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____622_96_8 =  3.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____622_96_8 =  3.9E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____622_96_8 =  7.7E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____622_96_8 =  2.6E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____622_96_8 =  3.2E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____622_96_8 =  1.1E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____622_96_8 =  5.8E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____622_96_8 =  2.8E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____622_96_8 =  2.7E+02                                  ! [atm] type: ?, ref: 789

! species:  butylbenzene
! formula:  C_6H_5C_4H_9
! trivial:  
! casrn:    104-51-8
! inchikey: OCKPCBLVNKHBMX-UHFFFAOYSA-N
Hvpx_____104_51_8 =  7.7E+02 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____104_51_8 =  7.7E+02 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____104_51_8 =  7.1E+02                                  ! [atm] type: L, ref: 479
Hvpx_____104_51_8 =  2.8E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____104_51_8 =  7.4E+02                                  ! [atm] type: M, ref: 2935
Hvpx_____104_51_8 =  6.0E+02 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____104_51_8 =  8.8E+02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1229
Hvpx_____104_51_8 =  7.7E+02                                  ! [atm] type: M, ref: 2457
Hvpx_____104_51_8 =  8.2E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____104_51_8 =  8.8E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____104_51_8 =  8.9E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____104_51_8 =  5.5E+03                                  ! [atm] type: V, ref: 2580
Hvpx_____104_51_8 =  7.3E+02                                  ! [atm] type: V, ref: 2611
Hvpx_____104_51_8 =  7.3E+02                                  ! [atm] type: V, ref: 2338
Hvpx_____104_51_8 =  7.3E+02                                  ! [atm] type: V, ref: 633
Hvpx_____104_51_8 =  7.2E+02                                  ! [atm] type: V, ref: 1145
Hvpx_____104_51_8 =  7.3E+02                                  ! [atm] type: V, ref: 2478
Hvpx_____104_51_8 =  7.3E+02                                  ! [atm] type: V, ref: 1497
Hvpx_____104_51_8 =  3.2E+02 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2219
Hvpx_____104_51_8 =  6.9E+02                                  ! [atm] type: V, ref: 642
Hvpx_____104_51_8 =  7.6E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: T, ref: 3626
Hvpx_____104_51_8 =  7.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____104_51_8 =  1.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____104_51_8 =  7.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____104_51_8 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____104_51_8 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____104_51_8 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____104_51_8 =  7.7E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____104_51_8 =  7.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____104_51_8 =  1.1E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____104_51_8 =  7.6E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____104_51_8 =  8.5E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____104_51_8 =  6.9E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____104_51_8 =  9.6E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____104_51_8 =  8.0E+02                                  ! [atm] type: Q, ref: 731
Hvpx_____104_51_8 =  8.0E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____104_51_8 =  7.7E+02                                  ! [atm] type: Q, ref: 1145
Hvpx_____104_51_8 =  6.5E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____104_51_8 =  7.2E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____104_51_8 =  7.3E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____104_51_8 =  7.3E+02                                  ! [atm] type: ?, ref: 1500

! species:  (1-methylpropyl)-benzene
! formula:  C_6H_5C_4H_9
! trivial:  {\it sec}-butylbenzene
! casrn:    135-98-8
! inchikey: ZJMWRROPUADPEA-UHFFFAOYSA-N
Hvpx_____135_98_8 =  1.0E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____135_98_8 =  7.6E+02                                  ! [atm] type: L, ref: 479
Hvpx_____135_98_8 =  4.1E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____135_98_8 =  7.3E+02 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____135_98_8 =  9.7E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____135_98_8 =  1.0E+03                                  ! [atm] type: V, ref: 3088
Hvpx_____135_98_8 =  1.0E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____135_98_8 =  1.0E+03                                  ! [atm] type: V, ref: 633
Hvpx_____135_98_8 =  1.0E+03                                  ! [atm] type: V, ref: 2478
Hvpx_____135_98_8 =  6.3E+02                                  ! [atm] type: V, ref: 642
Hvpx_____135_98_8 =  9.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____135_98_8 =  4.6E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____135_98_8 =  9.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____135_98_8 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____135_98_8 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____135_98_8 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____135_98_8 =  8.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____135_98_8 =  6.3E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____135_98_8 =  7.9E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____135_98_8 =  7.6E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____135_98_8 =  6.0E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____135_98_8 =  5.5E+03                                  ! [atm] type: Q, ref: 984
Hvpx_____135_98_8 =  8.9E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____135_98_8 =  7.6E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____135_98_8 =  4.1E+02                                  ! [atm] type: ?, ref: 2440

! species:  (2-methylpropyl)-benzene
! formula:  C_6H_5C_4H_9
! trivial:  isobutylbenzene
! casrn:    538-93-2
! inchikey: KXUHSQYYJYAXGZ-UHFFFAOYSA-N
Hvpx_____538_93_2 =  1.9E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____538_93_2 =  1.8E+03                                  ! [atm] type: L, ref: 479
Hvpx_____538_93_2 =  1.9E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____538_93_2 =  1.8E+03                                  ! [atm] type: V, ref: 2611
Hvpx_____538_93_2 =  1.8E+03                                  ! [atm] type: V, ref: 633
Hvpx_____538_93_2 =  1.8E+03                                  ! [atm] type: V, ref: 2478
Hvpx_____538_93_2 =  9.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____538_93_2 =  4.6E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____538_93_2 =  8.8E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____538_93_2 =  8.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____538_93_2 =  7.8E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____538_93_2 =  1.0E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____538_93_2 =  1.8E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____538_93_2 =  1.3E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____538_93_2 =  7.1E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____538_93_2 =  1.0E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____538_93_2 =  7.8E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____538_93_2 =  4.3E+02                                  ! [atm] type: ?, ref: 2440

! species:  (1,1-dimethylethyl)-benzene
! formula:  C_6H_5C_4H_9
! trivial:  {\it tert}-butylbenzene
! casrn:    98-06-6
! inchikey: YTZKOQUCBOVLHL-UHFFFAOYSA-N
Hvpx______98_06_6 =  6.9E+02                                  ! [atm] type: L, ref: 3673
Hvpx______98_06_6 =  6.6E+02                                  ! [atm] type: L, ref: 479
Hvpx______98_06_6 =  3.5E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______98_06_6 =  5.8E+02 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______98_06_6 =  7.3E+02                                  ! [atm] type: V, ref: 3586
Hvpx______98_06_6 =  7.3E+02                                  ! [atm] type: V, ref: 3088
Hvpx______98_06_6 =  7.0E+02                                  ! [atm] type: V, ref: 2611
Hvpx______98_06_6 =  7.0E+02                                  ! [atm] type: V, ref: 633
Hvpx______98_06_6 =  7.1E+02                                  ! [atm] type: V, ref: 2478
Hvpx______98_06_6 =  6.5E+02                                  ! [atm] type: V, ref: 642
Hvpx______98_06_6 =  8.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______98_06_6 =  1.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx______98_06_6 =  1.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______98_06_6 =  9.7E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______98_06_6 =  7.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______98_06_6 =  8.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______98_06_6 =  6.3E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______98_06_6 =  6.0E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______98_06_6 =  1.1E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______98_06_6 =  1.0E+03                                  ! [atm] type: Q, ref: 1162
Hvpx______98_06_6 =  9.2E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______98_06_6 =  3.9E+02                                  ! [atm] type: ?, ref: 2440

! species:  1-methyl-2-propylbenzene
! formula:  C_{10}H_{14}
! trivial:  
! casrn:    1074-17-5
! inchikey: YQZBFMJOASEONC-UHFFFAOYSA-N
Hvpx____1074_17_5 =  7.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1074_17_5 =  1.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1074_17_5 =  4.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-3-propylbenzene
! formula:  C_{10}H_{14}
! trivial:  
! casrn:    1074-43-7
! inchikey: QUEBYVKXYIKVSO-UHFFFAOYSA-N
Hvpx____1074_43_7 =  7.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1074_43_7 =  1.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1074_43_7 =  4.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-4-propylbenzene
! formula:  C_{10}H_{14}
! trivial:  
! casrn:    1074-55-1
! inchikey: JXFVMNFKABWTHD-UHFFFAOYSA-N
Hvpx____1074_55_1 =  5.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1074_55_1 =  1.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1074_55_1 =  4.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  2-ethyl-$m$-xylene
! formula:  C_{10}H_{14}
! trivial:  
! casrn:    2870-04-4
! inchikey: CHIKRULMSSADAF-UHFFFAOYSA-N
Hvpx____2870_04_4 =  4.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2870_04_4 =  1.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____2870_04_4 =  5.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx____2870_04_4 =  4.3E+02                                  ! [atm] type: ?, ref: 2440

! species:  2-ethyl-$p$-xylene
! formula:  C_{10}H_{14}
! trivial:  
! casrn:    1758-88-9
! inchikey: AXIUBBVSOWPLDA-UHFFFAOYSA-N
Hvpx____1758_88_9 =  4.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1758_88_9 =  1.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1758_88_9 =  5.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx____1758_88_9 =  4.7E+02                                  ! [atm] type: ?, ref: 2440

! species:  3-ethyl-$o$-xylene
! formula:  C_{10}H_{14}
! trivial:  
! casrn:    933-98-2
! inchikey: QUBBAXISAHIDNM-UHFFFAOYSA-N
Hvpx_____933_98_2 =  4.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____933_98_2 =  1.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____933_98_2 =  5.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____933_98_2 =  4.5E+02                                  ! [atm] type: ?, ref: 2440

! species:  4-ethyl-$o$-xylene
! formula:  C_{10}H_{14}
! trivial:  
! casrn:    934-80-5
! inchikey: SBUYFICWQNHBCM-UHFFFAOYSA-N
Hvpx_____934_80_5 =  4.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____934_80_5 =  1.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____934_80_5 =  5.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____934_80_5 =  1.2E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____934_80_5 =  4.3E+02                                  ! [atm] type: ?, ref: 2440

! species:  4-ethyl-$m$-xylene
! formula:  C_{10}H_{14}
! trivial:  
! casrn:    874-41-9
! inchikey: MEMBJMDZWKVOTB-UHFFFAOYSA-N
Hvpx_____874_41_9 =  4.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____874_41_9 =  1.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____874_41_9 =  5.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____874_41_9 =  1.8E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____874_41_9 =  4.8E+02                                  ! [atm] type: ?, ref: 2440

! species:  5-ethyl-$m$-xylene
! formula:  C_{10}H_{14}
! trivial:  1-ethyl-3,5-dimethylbenzene
! casrn:    934-74-7
! inchikey: LMAUULKNZLEMGN-UHFFFAOYSA-N
Hvpx_____934_74_7 =  4.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____934_74_7 =  5.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____934_74_7 =  5.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____934_74_7 =  2.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____934_74_7 =  1.7E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____934_74_7 =  5.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____934_74_7 =  4.3E+02                                  ! [atm] type: ?, ref: 2440

! species:  1-methyl-2-(1-methylethyl)-benzene
! formula:  C_{10}H_{14}
! trivial:  $o$-cymene
! casrn:    527-84-4
! inchikey: WWRCMNKATXZARA-UHFFFAOYSA-N
Hvpx_____527_84_4 =  3.4E+02                                  ! [atm] type: L, ref: 3673
Hvpx_____527_84_4 =  6.3E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____527_84_4 =  6.1E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____527_84_4 =  4.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____527_84_4 =  4.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____527_84_4 =  4.3E+02                                  ! [atm] type: Q, ref: 3682
Hvpx_____527_84_4 =  9.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____527_84_4 =  1.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____527_84_4 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____527_84_4 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____527_84_4 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____527_84_4 =  4.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____527_84_4 =  4.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____527_84_4 =  8.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____527_84_4 =  1.0E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____527_84_4 =  4.6E+02                                  ! [atm] type: ?, ref: 2440

! species:  1-methyl-3-(1-methylethyl)-benzene
! formula:  C_{10}H_{14}
! trivial:  $m$-cymene
! casrn:    535-77-3
! inchikey: XCYJPXQACVEIOS-UHFFFAOYSA-N
Hvpx_____535_77_3 =  3.9E+02                                  ! [atm] type: L, ref: 3673
Hvpx_____535_77_3 =  4.0E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____535_77_3 =  4.0E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____535_77_3 =  6.0E+02                                  ! [atm] type: V, ref: 2124
Hvpx_____535_77_3 =  4.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____535_77_3 =  4.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____535_77_3 =  6.7E+02                                  ! [atm] type: Q, ref: 3682
Hvpx_____535_77_3 =  9.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____535_77_3 =  1.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____535_77_3 =  4.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____535_77_3 =  6.3E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____535_77_3 =  1.2E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____535_77_3 =  4.4E+02                                  ! [atm] type: ?, ref: 2440

! species:  1-methyl-4-(1-methylethyl)-benzene
! formula:  C_{10}H_{14}
! trivial:  $p$-cymene; $p$-isopropyltoluene
! casrn:    99-87-6
! inchikey: HFPZCAJZSCWRBC-UHFFFAOYSA-N
Hvpx______99_87_6 =  5.7E+02                                  ! [atm] type: L, ref: 3673
Hvpx______99_87_6 =  4.4E+02                                  ! [atm] type: L, ref: 479
Hvpx______99_87_6 =  3.0E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______99_87_6 =  5.3E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______99_87_6 =  6.1E+02                                  ! [atm] type: V, ref: 3586
Hvpx______99_87_6 =  6.9E+02                                  ! [atm] type: V, ref: 3586
Hvpx______99_87_6 =  4.8E+02                                  ! [atm] type: V, ref: 3678
Hvpx______99_87_6 =  6.1E+02                                  ! [atm] type: V, ref: 3088
Hvpx______99_87_6 =  4.4E+02                                  ! [atm] type: V, ref: 2611
Hvpx______99_87_6 =  5.1E+02                                  ! [atm] type: V, ref: 2124
Hvpx______99_87_6 =  6.0E+02                                  ! [atm] type: V, ref: 2487
Hvpx______99_87_6 =  4.3E+02                                  ! [atm] type: V, ref: 1501
Hvpx______99_87_6 =  4.4E+02                                  ! [atm] type: V, ref: 633
Hvpx______99_87_6 =  4.4E+02                                  ! [atm] type: V, ref: 2478
Hvpx______99_87_6 =  4.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______99_87_6 =  4.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______99_87_6 =  7.1E+02                                  ! [atm] type: Q, ref: 3682
Hvpx______99_87_6 =  9.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______99_87_6 =  9.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______99_87_6 =  1.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______99_87_6 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______99_87_6 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______99_87_6 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______99_87_6 =  4.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______99_87_6 =  6.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______99_87_6 =  1.0E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______99_87_6 =  9.9E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______99_87_6 =  6.8E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______99_87_6 =  3.9E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______99_87_6 =  1.0E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______99_87_6 =  8.3E+02                                  ! [atm] type: Q, ref: 984
Hvpx______99_87_6 =  4.2E+02                                  ! [atm] type: ?, ref: 2440

! species:  4-{\it tert}-butyltoluene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    98-51-1
! inchikey: QCWXDVFBZVHKLV-UHFFFAOYSA-N
Hvpx______98_51_1 =  7.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______98_51_1 =  8.5E+02                                  ! [atm] type: Q, ref: 3088
Hvpx______98_51_1 =  2.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______98_51_1 =  8.5E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_51_1 =  1.1E+03                                  ! [atm] type: Q, ref: 2995
Hvpx______98_51_1 =  4.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_51_1 =  1.2E+03                                  ! [atm] type: Q, ref: 2995
Hvpx______98_51_1 =  6.7E+02                                  ! [atm] type: Q, ref: 3579

! species:  pentylbenzene
! formula:  C_6H_5C_5H_{11}
! trivial:  
! casrn:    538-68-1
! inchikey: PWATWSYOIIXYMA-UHFFFAOYSA-N
Hvpx_____538_68_1 =  9.1E+02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____538_68_1 =  1.1E+03 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____538_68_1 =  3.3E+02                                  ! [atm] type: L, ref: 479
Hvpx_____538_68_1 =  8.9E+02                                  ! [atm] type: M, ref: 2935
Hvpx_____538_68_1 =  1.4E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____538_68_1 =  9.3E+02                                  ! [atm] type: V, ref: 2611
Hvpx_____538_68_1 =  9.3E+02                                  ! [atm] type: V, ref: 633
Hvpx_____538_68_1 =  3.4E+02                                  ! [atm] type: V, ref: 2478
Hvpx_____538_68_1 =  9.1E+02                                  ! [atm] type: V, ref: 1497
Hvpx_____538_68_1 =  1.8E+02 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2219
Hvpx_____538_68_1 =  1.0E+03 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: T, ref: 3626
Hvpx_____538_68_1 =  1.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____538_68_1 =  1.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____538_68_1 =  9.8E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____538_68_1 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____538_68_1 =  1.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____538_68_1 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____538_68_1 =  9.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____538_68_1 =  8.9E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____538_68_1 =  1.3E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____538_68_1 =  8.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____538_68_1 =  1.2E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____538_68_1 =  9.4E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____538_68_1 =  9.6E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____538_68_1 =  8.5E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____538_68_1 =  1.2E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____538_68_1 =  9.3E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____538_68_1 =  9.2E+02                                  ! [atm] type: ?, ref: 1500

! species:  pentamethylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    700-12-9
! inchikey: BEZDDPMMPIDMGJ-UHFFFAOYSA-N
Hvpx_____700_12_9 =  7.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____700_12_9 =  7.8E+02                                  ! [atm] type: Q, ref: 2530

! species:  1,2-dimethyl-3-propylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    17059-44-8
! inchikey: IRUSTUOJENXLMN-UHFFFAOYSA-N
Hvpx___17059_44_8 =  6.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17059_44_8 =  1.9E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___17059_44_8 =  6.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1,2-dimethyl-4-propylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    3982-66-9
! inchikey: FZJVYOOQGFZCSY-UHFFFAOYSA-N
Hvpx____3982_66_9 =  6.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3982_66_9 =  2.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____3982_66_9 =  6.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1,3-dimethyl-2-propylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    17059-45-9
! inchikey: POVRSTNZQPBWAS-UHFFFAOYSA-N
Hvpx___17059_45_9 =  6.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17059_45_9 =  2.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___17059_45_9 =  6.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1,3-dimethyl-4-propylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    61827-85-8
! inchikey: HPAXKQMKDWCLGU-UHFFFAOYSA-N
Hvpx___61827_85_8 =  6.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___61827_85_8 =  2.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___61827_85_8 =  6.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1,3-dimethyl-5-propylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    3982-64-7
! inchikey: NBICXWXPZRNMPF-UHFFFAOYSA-N
Hvpx____3982_64_7 =  5.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3982_64_7 =  2.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____3982_64_7 =  6.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1,4-dimethyl-2-propylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    3042-50-0
! inchikey: PWEDYOIWLPZSRP-UHFFFAOYSA-N
Hvpx____3042_50_0 =  6.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3042_50_0 =  2.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____3042_50_0 =  6.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1,2-dimethyl-3-isopropylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    22539-65-7
! inchikey: GDEQPEBFOWYWSA-UHFFFAOYSA-N
Hvpx___22539_65_7 =  6.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___22539_65_7 =  2.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___22539_65_7 =  5.8E+02                                  ! [atm] type: Q, ref: 3579

! species:  1,2-dimethyl-4-isopropylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    4132-77-8
! inchikey: MGMSKQZIAGFMRU-UHFFFAOYSA-N
Hvpx____4132_77_8 =  6.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4132_77_8 =  2.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____4132_77_8 =  5.8E+02                                  ! [atm] type: Q, ref: 3579

! species:  1,3-dimethyl-2-isopropylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    14411-75-7
! inchikey: IVCIQLTVLDOHKA-UHFFFAOYSA-N
Hvpx___14411_75_7 =  6.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14411_75_7 =  2.6E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___14411_75_7 =  5.8E+02                                  ! [atm] type: Q, ref: 3579

! species:  1,3-dimethyl-4-isopropylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    4706-89-2
! inchikey: AADQFNAACHHRLT-UHFFFAOYSA-N
Hvpx____4706_89_2 =  6.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4706_89_2 =  2.6E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____4706_89_2 =  5.8E+02                                  ! [atm] type: Q, ref: 3579

! species:  1,3-dimethyl-5-isopropylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    4706-90-5
! inchikey: RMKJTYPFCFNTGQ-UHFFFAOYSA-N
Hvpx____4706_90_5 =  6.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4706_90_5 =  2.9E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____4706_90_5 =  5.8E+02                                  ! [atm] type: Q, ref: 3579

! species:  1,4-dimethyl-2-isopropylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    4132-72-3
! inchikey: CLSBTDGUHSQYTO-UHFFFAOYSA-N
Hvpx____4132_72_3 =  6.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4132_72_3 =  2.8E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____4132_72_3 =  5.8E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-ethyl-2-propylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    16021-20-8
! inchikey: DMUVQFCRCMDZPW-UHFFFAOYSA-N
Hvpx___16021_20_8 =  5.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16021_20_8 =  1.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___16021_20_8 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx___16021_20_8 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx___16021_20_8 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx___16021_20_8 =  6.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-ethyl-3-propylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    20024-91-3
! inchikey: QCYGXOCMWHSXSU-UHFFFAOYSA-N
Hvpx___20024_91_3 =  5.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20024_91_3 =  1.6E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___20024_91_3 =  6.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-ethyl-4-propylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    20024-90-2
! inchikey: ADQDTIAWIXUACV-UHFFFAOYSA-N
Hvpx___20024_90_2 =  5.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20024_90_2 =  1.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___20024_90_2 =  6.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-ethyl-2-isopropylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    18970-44-0
! inchikey: ZAJYARZMPOEGLK-UHFFFAOYSA-N
Hvpx___18970_44_0 =  5.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18970_44_0 =  2.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___18970_44_0 =  6.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-ethyl-3-isopropylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    4920-99-4
! inchikey: GSLSBTNLESMZTN-UHFFFAOYSA-N
Hvpx____4920_99_4 =  5.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4920_99_4 =  2.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____4920_99_4 =  6.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-ethyl-4-isopropylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    4218-48-8
! inchikey: GUUDUUDWUWUTPD-UHFFFAOYSA-N
Hvpx____4218_48_8 =  6.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4218_48_8 =  1.8E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____4218_48_8 =  6.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-2,3-diethylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    13632-93-4
! inchikey: LRJOXARIJKBUFE-UHFFFAOYSA-N
Hvpx___13632_93_4 =  6.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13632_93_4 =  2.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___13632_93_4 =  6.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-2,4-diethylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    1758-85-6
! inchikey: PZMJNJDRDKPVLB-UHFFFAOYSA-N
Hvpx____1758_85_6 =  6.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1758_85_6 =  2.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1758_85_6 =  6.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-2,5-diethylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    13632-94-5
! inchikey: ZEHGGUIGEDITMM-UHFFFAOYSA-N
Hvpx___13632_94_5 =  6.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13632_94_5 =  2.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___13632_94_5 =  6.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-2,6-diethylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    13632-95-6
! inchikey: XZZNTLNFQVAKFD-UHFFFAOYSA-N
Hvpx___13632_95_6 =  6.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13632_95_6 =  2.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___13632_95_6 =  6.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-3,5-diethylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    2050-24-0
! inchikey: HILAULICMJUOLK-UHFFFAOYSA-N
Hvpx____2050_24_0 =  5.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2050_24_0 =  6.3E+02                                  ! [atm] type: Q, ref: 3409
Hvpx____2050_24_0 =  9.5E+02                                  ! [atm] type: Q, ref: 3409
Hvpx____2050_24_0 =  2.7E+02                                  ! [atm] type: Q, ref: 3409
Hvpx____2050_24_0 =  2.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____2050_24_0 =  6.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-2-butylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    1595-11-5
! inchikey: NUJILYKLNKQOOX-UHFFFAOYSA-N
Hvpx____1595_11_5 =  6.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1595_11_5 =  1.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1595_11_5 =  6.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-3-butylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    1595-04-6
! inchikey: OAPCPUDMDJIBOQ-UHFFFAOYSA-N
Hvpx____1595_04_6 =  5.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1595_04_6 =  1.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1595_04_6 =  6.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-4-butylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    1595-05-7
! inchikey: SBBKUBSYOVDBBC-UHFFFAOYSA-N
Hvpx____1595_05_7 =  6.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1595_05_7 =  1.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1595_05_7 =  6.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-2-isobutylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    36301-29-8
! inchikey: XNMPJDZAHSMAMN-UHFFFAOYSA-N
Hvpx___36301_29_8 =  6.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___36301_29_8 =  1.9E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___36301_29_8 =  6.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-3-isobutylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    5160-99-6
! inchikey: SDHYGAUOCHFYSR-UHFFFAOYSA-N
Hvpx____5160_99_6 =  5.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5160_99_6 =  2.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____5160_99_6 =  6.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-4-isobutylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    5161-04-6
! inchikey: VCGBZXLLPCGFQM-UHFFFAOYSA-N
Hvpx____5161_04_6 =  6.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5161_04_6 =  1.9E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____5161_04_6 =  6.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-2-{\it sec}-butylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    1595-06-8
! inchikey: AMBAWAHKHZZAAY-UHFFFAOYSA-N
Hvpx____1595_06_8 =  6.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1595_06_8 =  1.9E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1595_06_8 =  6.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-3-{\it sec}-butylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    1772-10-7
! inchikey: RMNILBOMCXQZFC-UHFFFAOYSA-N
Hvpx____1772_10_7 =  5.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1772_10_7 =  2.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1772_10_7 =  6.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-4-{\it sec}-butylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    1595-16-0
! inchikey: LWCFXYMSEGQWNB-UHFFFAOYSA-N
Hvpx____1595_16_0 =  6.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1595_16_0 =  1.8E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1595_16_0 =  6.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-2-{\it tert}-butyl benzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    1074-92-6
! inchikey: AXHVNJGQOJFMHT-UHFFFAOYSA-N
Hvpx____1074_92_6 =  7.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1074_92_6 =  1.6E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1074_92_6 =  6.7E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-3-{\it tert}-butylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    1075-38-3
! inchikey: JTIAYWZZZOZUTK-UHFFFAOYSA-N
Hvpx____1075_38_3 =  6.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1075_38_3 =  2.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1075_38_3 =  6.7E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-methyl-3,4-diethylbenzene
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    13732-80-4
! inchikey: MJQJAQGFUBIGIK-UHFFFAOYSA-N
Hvpx___13732_80_4 =  5.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13732_80_4 =  2.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___13732_80_4 =  6.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-phenyl-2,2-dimethylpropane
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    1007-26-7
! inchikey: CJGXJKVMUHXVHL-UHFFFAOYSA-N
Hvpx____1007_26_7 =  1.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1007_26_7 =  1.6E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1007_26_7 =  1.2E+03                                  ! [atm] type: Q, ref: 3579

! species:  1-phenyl-2-methylbutane
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    3968-85-2
! inchikey: IFDLFCDWOFLKEB-UHFFFAOYSA-N
Hvpx____3968_85_2 =  1.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3968_85_2 =  1.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____3968_85_2 =  1.0E+03                                  ! [atm] type: Q, ref: 3579

! species:  1-phenyl-3-methylbutane
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    2049-94-7
! inchikey: XNXIYYFOYIUJIW-UHFFFAOYSA-N
Hvpx____2049_94_7 =  1.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2049_94_7 =  1.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____2049_94_7 =  1.0E+03                                  ! [atm] type: Q, ref: 3579

! species:  2-phenyl-3-methylbutane
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    4481-30-5
! inchikey: NQRMTOKLHZNAQH-UHFFFAOYSA-N
Hvpx____4481_30_5 =  1.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4481_30_5 =  1.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____4481_30_5 =  1.0E+03                                  ! [atm] type: Q, ref: 3579

! species:  2-phenylpentane
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    2719-52-0
! inchikey: LTHAIAJHDPJXLG-UHFFFAOYSA-N
Hvpx____2719_52_0 =  1.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2719_52_0 =  1.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____2719_52_0 =  1.0E+03                                  ! [atm] type: Q, ref: 3579

! species:  3-phenylpentane
! formula:  C_{11}H_{16}
! trivial:  
! casrn:    1196-58-3
! inchikey: PBWHJRFXUPLZDS-UHFFFAOYSA-N
Hvpx____1196_58_3 =  1.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1196_58_3 =  1.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1196_58_3 =  1.0E+03                                  ! [atm] type: Q, ref: 3579

! species:  (1,1-dimethylpropyl)-benzene
! formula:  C_6H_5C_5H_{11}
! trivial:  {\it tert}-amylbenzene
! casrn:    2049-95-8
! inchikey: QHTJSSMHBLGUHV-UHFFFAOYSA-N
Hvpx____2049_95_8 =  1.0E+03                                  ! [atm] type: V, ref: 642
Hvpx____2049_95_8 =  1.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2049_95_8 =  1.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____2049_95_8 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx____2049_95_8 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx____2049_95_8 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx____2049_95_8 =  1.2E+03                                  ! [atm] type: Q, ref: 3579
Hvpx____2049_95_8 =  5.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx____2049_95_8 =  9.4E+02                                  ! [atm] type: Q, ref: 2543
Hvpx____2049_95_8 =  1.3E+03                                  ! [atm] type: Q, ref: 1162
Hvpx____2049_95_8 =  1.1E+03                                  ! [atm] type: Q, ref: 2482

! species:  hexylbenzene
! formula:  C_6H_5C_6H_{13}
! trivial:  
! casrn:    1077-16-3
! inchikey: LTEQMZWBSYACLV-UHFFFAOYSA-N
Hvpx____1077_16_3 =  1.4E+03 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx____1077_16_3 =  1.4E+03 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx____1077_16_3 =  1.6E+03                                  ! [atm] type: V, ref: 3586
Hvpx____1077_16_3 =  1.2E+03                                  ! [atm] type: V, ref: 2611
Hvpx____1077_16_3 =  1.2E+03                                  ! [atm] type: V, ref: 633
Hvpx____1077_16_3 =  1.2E+03                                  ! [atm] type: V, ref: 1145
Hvpx____1077_16_3 =  1.1E+03                                  ! [atm] type: V, ref: 2478
Hvpx____1077_16_3 =  1.2E+03                                  ! [atm] type: V, ref: 1497
Hvpx____1077_16_3 =  7.1E+01 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2219
Hvpx____1077_16_3 =  1.3E+03 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: T, ref: 3626
Hvpx____1077_16_3 =  1.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1077_16_3 =  1.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____1077_16_3 =  8.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____1077_16_3 =  1.0E+03                                  ! [atm] type: Q, ref: 3579
Hvpx____1077_16_3 =  1.1E+03                                  ! [atm] type: Q, ref: 2521
Hvpx____1077_16_3 =  1.3E+03                                  ! [atm] type: Q, ref: 2530
Hvpx____1077_16_3 =  1.2E+03                                  ! [atm] type: Q, ref: 2535
Hvpx____1077_16_3 =  1.5E+03                                  ! [atm] type: Q, ref: 3731
Hvpx____1077_16_3 =  1.3E+03                                  ! [atm] type: Q, ref: 2543
Hvpx____1077_16_3 =  1.1E+03                                  ! [atm] type: Q, ref: 984
Hvpx____1077_16_3 =  1.4E+03                                  ! [atm] type: Q, ref: 1145
Hvpx____1077_16_3 =  1.4E+03                                  ! [atm] type: ?, ref: 2440
Hvpx____1077_16_3 =  1.2E+03                                  ! [atm] type: ?, ref: 789
Hvpx____1077_16_3 =  1.3E+03                                  ! [atm] type: ?, ref: 1500

! species:  hexamethylbenzene
! formula:  C_{12}H_{18}
! trivial:  
! casrn:    87-85-4
! inchikey: YUWFEBAXEOLKSG-UHFFFAOYSA-N
Hvpx______87_85_4 =  6.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______87_85_4 =  3.8E+02                                  ! [atm] type: Q, ref: 2530

! species:  1,2,3-triethylbenzene
! formula:  C_{12}H_{18}
! trivial:  
! casrn:    42205-08-3
! inchikey: VIDOPANCAUPXNH-UHFFFAOYSA-N
Hvpx___42205_08_3 =  1.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___42205_08_3 =  3.8E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___42205_08_3 =  9.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  1,2,4-triethylbenzene
! formula:  C_{12}H_{18}
! trivial:  
! casrn:    877-44-1
! inchikey: WNLWIOJSURYFIB-UHFFFAOYSA-N
Hvpx_____877_44_1 =  7.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____877_44_1 =  3.8E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____877_44_1 =  9.1E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____877_44_1 =  7.5E+02                                  ! [atm] type: ?, ref: 2440

! species:  1,3,5-triethylbenzene
! formula:  C_{12}H_{18}
! trivial:  
! casrn:    102-25-0
! inchikey: WJYMPXJVHNDZHD-UHFFFAOYSA-N
Hvpx_____102_25_0 =  5.4E+02                                  ! [atm] type: L, ref: 3673
Hvpx_____102_25_0 =  1.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____102_25_0 =  4.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____102_25_0 =  9.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  4-{\it tert}-butyl-$o$-xylene
! formula:  C_{12}H_{18}
! trivial:  
! casrn:    7397-06-0
! inchikey: QRPPSTNABSMSCS-UHFFFAOYSA-N
Hvpx____7397_06_0 =  9.4E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____7397_06_0 =  7.6E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____7397_06_0 =  6.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____7397_06_0 =  2.0E+03                                  ! [atm] type: Q, ref: 2995

! species:  1-(1,1-dimethylethyl)-3,5-dimethylbenzene
! formula:  C_{12}H_{18}
! trivial:  
! casrn:    98-19-1
! inchikey: FZSPYHREEHYLCB-UHFFFAOYSA-N
Hvpx______98_19_1 =  9.4E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_19_1 =  1.2E+03                                  ! [atm] type: Q, ref: 2995
Hvpx______98_19_1 =  7.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_19_1 =  2.0E+03                                  ! [atm] type: Q, ref: 2995

! species:  $o$-diisopropylbenzene
! formula:  C_{12}H_{18}
! trivial:  
! casrn:    25321-09-9
! inchikey: OKIRBHVFJGXOIS-UHFFFAOYSA-N
Hvpx___25321_09_9 =  1.1E+03                                  ! [atm] type: Q, ref: 3088

! species:  $m$-diisopropylbenzene
! formula:  C_{12}H_{18}
! trivial:  
! casrn:    99-62-7
! inchikey: UNEATYXSUBPPKP-UHFFFAOYSA-N
Hvpx______99_62_7 =  5.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______99_62_7 =  7.6E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______99_62_7 =  5.7E+02                                  ! [atm] type: ?, ref: 2440

! species:  $p$-diisopropylbenzene
! formula:  C_{12}H_{18}
! trivial:  
! casrn:    100-18-5
! inchikey: SPPWGCYEYAMHDT-UHFFFAOYSA-N
Hvpx_____100_18_5 =  5.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____100_18_5 =  3.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____100_18_5 =  7.6E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____100_18_5 =  5.2E+02                                  ! [atm] type: ?, ref: 2440

! species:  4-phenylcyclohexene
! formula:  C_{12}H_{14}
! trivial:  
! casrn:    4994-16-5
! inchikey: XWCWNUSFQVJNDI-UHFFFAOYSA-N
Hvpx____4994_16_5 =  6.9E+01                                  ! [atm] type: ?, ref: 3766

! species:  heptylbenzene
! formula:  C_6H_5C_7H_{15}
! trivial:  
! casrn:    1078-71-3
! inchikey: LBNXAWYDQUGHGX-UHFFFAOYSA-N
Hvpx____1078_71_3 =  2.1E+03                                  ! [atm] type: L, ref: 3518
Hvpx____1078_71_3 =  8.4E+02                                  ! [atm] type: V, ref: 3586
Hvpx____1078_71_3 =  2.5E+01 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2219
Hvpx____1078_71_3 =  8.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1078_71_3 =  1.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____1078_71_3 =  5.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____1078_71_3 =  1.1E+03                                  ! [atm] type: Q, ref: 3579
Hvpx____1078_71_3 =  1.4E+03                                  ! [atm] type: Q, ref: 2521
Hvpx____1078_71_3 =  1.6E+03                                  ! [atm] type: Q, ref: 3731
Hvpx____1078_71_3 =  3.7E+02                                  ! [atm] type: ?, ref: 2440

! species:  5-{\it tert}-butyl-1,2,3-trimethylbenzene
! formula:  C_{13}H_{20}
! trivial:  
! casrn:    98-23-7
! inchikey: ZQVJKYPEIPJEIP-UHFFFAOYSA-N
Hvpx______98_23_7 =  1.0E+03                                  ! [atm] type: Q, ref: 2995
Hvpx______98_23_7 =  5.9E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_23_7 =  6.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_23_7 =  3.6E+03                                  ! [atm] type: Q, ref: 2995

! species:  octylbenzene
! formula:  C_6H_5C_8H_{17}
! trivial:  
! casrn:    2189-60-8
! inchikey: CDKDZKXSXLNROY-UHFFFAOYSA-N
Hvpx____2189_60_8 =  3.0E+03                                  ! [atm] type: L, ref: 3518
Hvpx____2189_60_8 =  2.4E+03                                  ! [atm] type: V, ref: 3586
Hvpx____2189_60_8 =  1.0E+01 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2219
Hvpx____2189_60_8 =  6.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2189_60_8 =  1.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____2189_60_8 =  3.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____2189_60_8 =  1.1E+03                                  ! [atm] type: Q, ref: 3579
Hvpx____2189_60_8 =  1.7E+03                                  ! [atm] type: Q, ref: 2521
Hvpx____2189_60_8 =  2.8E+02                                  ! [atm] type: ?, ref: 2440

! species:  nonylbenzene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    1081-77-2
! inchikey: LIXVMPBOGDCSRM-UHFFFAOYSA-N
Hvpx____1081_77_2 =  3.8E+03                                  ! [atm] type: L, ref: 3518
Hvpx____1081_77_2 =  3.0E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____1081_77_2 =  1.6E+02                                  ! [atm] type: ?, ref: 2440

! species:  3,5-di-{\it tert}-butyltoluene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    15181-11-0
! inchikey: WIXDSJRJFDWTNY-UHFFFAOYSA-N
Hvpx___15181_11_0 =  1.5E+02 * EXP(  -9100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,3,5-tris(1-methylethyl)benzene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    717-74-8
! inchikey: VUMCUSHVMYIRMB-UHFFFAOYSA-N
Hvpx_____717_74_8 =  2.2E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____717_74_8 =  3.1E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____717_74_8 =  1.1E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____717_74_8 =  2.1E+03                                  ! [atm] type: Q, ref: 2995

! species:  ethyl(phenylethyl)-benzene
! formula:  C_{16}H_{18}
! trivial:  
! casrn:    64800-83-5
! inchikey: BDEIYMXBPHSOSG-UHFFFAOYSA-N
Hvpx___64800_83_5 =  5.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___64800_83_5 =  4.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___64800_83_5 =  8.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___64800_83_5 =  3.0E+01                                  ! [atm] type: Q, ref: 2995

! species:  4-(1-phenylethyl)-$m$-xylene
! formula:  C_{16}H_{18}
! trivial:  
! casrn:    6165-52-2
! inchikey: JOUBGGHXBLOLFY-UHFFFAOYSA-N
Hvpx____6165_52_2 =  4.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____6165_52_2 =  3.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____6165_52_2 =  1.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____6165_52_2 =  3.6E+01                                  ! [atm] type: Q, ref: 2995

! species:  decylbenzene
! formula:  C_{16}H_{26}
! trivial:  1-phenyldecane
! casrn:    104-72-3
! inchikey: UZILCZKGXMQEQR-UHFFFAOYSA-N
Hvpx_____104_72_3 =  7.2E+03                                  ! [atm] type: L, ref: 3518
Hvpx_____104_72_3 =  6.4E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____104_72_3 =  8.5E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____104_72_3 =  4.2E+03                                  ! [atm] type: V, ref: 3088
Hvpx_____104_72_3 =  6.4E+03                                  ! [atm] type: V, ref: 3679
Hvpx_____104_72_3 =  1.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____104_72_3 =  4.2E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_72_3 =  3.8E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_72_3 =  1.6E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_72_3 =  2.0E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_72_3 =  6.9E+01                                  ! [atm] type: ?, ref: 2440

! species:  2-phenyldecane
! formula:  C_{16}H_{26}
! trivial:  
! casrn:    4537-13-7
! inchikey: DDTJIQUCOLHYDL-UHFFFAOYSA-N
Hvpx____4537_13_7 =  5.3E+03                                  ! [atm] type: V, ref: 3679

! species:  3-phenyldecane
! formula:  C_{16}H_{26}
! trivial:  
! casrn:    4621-36-7
! inchikey: PYVIFMPVFLOTLN-UHFFFAOYSA-N
Hvpx____4621_36_7 =  5.0E+03                                  ! [atm] type: V, ref: 3679

! species:  4-phenyldecane
! formula:  C_{16}H_{26}
! trivial:  
! casrn:    4537-12-6
! inchikey: QTDBKYLPIZUTFN-UHFFFAOYSA-N
Hvpx____4537_12_6 =  5.9E+03                                  ! [atm] type: V, ref: 3679

! species:  5-phenyldecane
! formula:  C_{16}H_{26}
! trivial:  
! casrn:    4537-11-5
! inchikey: CDOBABYRHNVZQG-UHFFFAOYSA-N
Hvpx____4537_11_5 =  6.5E+03                                  ! [atm] type: V, ref: 3679

! species:  undecylbenzene
! formula:  C_{17}H_{28}
! trivial:  1-phenylundecane
! casrn:    6742-54-7
! inchikey: XBEADGFTLHRJRB-UHFFFAOYSA-N
Hvpx____6742_54_7 =  5.5E+03                                  ! [atm] type: Q, ref: 3088

! species:  2-phenylundecane
! formula:  C_{17}H_{28}
! trivial:  
! casrn:    4536-88-3
! inchikey: YHJBCRBYDBNEIK-UHFFFAOYSA-N
Hvpx____4536_88_3 =  6.7E+03                                  ! [atm] type: V, ref: 3679

! species:  3-phenylundecane
! formula:  C_{17}H_{28}
! trivial:  
! casrn:    4536-87-2
! inchikey: NVHBFHMWJJMQTG-UHFFFAOYSA-N
Hvpx____4536_87_2 =  6.1E+03                                  ! [atm] type: V, ref: 3679

! species:  4-phenylundecane
! formula:  C_{17}H_{28}
! trivial:  
! casrn:    4536-86-1
! inchikey: NSQAXMRLBNXEHK-UHFFFAOYSA-N
Hvpx____4536_86_1 =  9.3E+03                                  ! [atm] type: V, ref: 3679

! species:  5-phenylundecane
! formula:  C_{17}H_{28}
! trivial:  
! casrn:    4537-15-9
! inchikey: RRPCXIBGXYGQNC-UHFFFAOYSA-N
Hvpx____4537_15_9 =  8.9E+03                                  ! [atm] type: V, ref: 3679

! species:  6-phenylundecane
! formula:  C_{17}H_{28}
! trivial:  
! casrn:    4537-14-8
! inchikey: WCABIRIFXVXGQH-UHFFFAOYSA-N
Hvpx____4537_14_8 =  8.5E+03                                  ! [atm] type: V, ref: 3679

! species:  dodecylbenzene
! formula:  C_{18}H_{30}
! trivial:  1-phenyldodecane
! casrn:    123-01-3
! inchikey: KWKXNDCHNDYVRT-UHFFFAOYSA-N
Hvpx_____123_01_3 =  7.2E+03                                  ! [atm] type: Q, ref: 3088

! species:  2-phenyldodecane
! formula:  C_{18}H_{30}
! trivial:  
! casrn:    2719-61-1
! inchikey: VRPRIAVYSREHAN-UHFFFAOYSA-N
Hvpx____2719_61_1 =  5.2E+03                                  ! [atm] type: V, ref: 3679

! species:  3-phenyldodecane
! formula:  C_{18}H_{30}
! trivial:  
! casrn:    2400-00-2
! inchikey: PGVOXXHNGYYHHB-UHFFFAOYSA-N
Hvpx____2400_00_2 =  4.1E+03                                  ! [atm] type: V, ref: 3679

! species:  4-phenyldodecane
! formula:  C_{18}H_{30}
! trivial:  
! casrn:    2719-64-4
! inchikey: RHDHXBLZBVAPTL-UHFFFAOYSA-N
Hvpx____2719_64_4 =  6.6E+03                                  ! [atm] type: V, ref: 3679

! species:  5-phenyldodecane
! formula:  C_{18}H_{30}
! trivial:  
! casrn:    2719-63-3
! inchikey: NPAWGLOPXKCTCV-UHFFFAOYSA-N
Hvpx____2719_63_3 =  7.0E+03                                  ! [atm] type: V, ref: 3679

! species:  6-phenyldodecane
! formula:  C_{18}H_{30}
! trivial:  
! casrn:    2719-62-2
! inchikey: ZYHJQFMTTFCBKH-UHFFFAOYSA-N
Hvpx____2719_62_2 =  9.1E+03                                  ! [atm] type: V, ref: 3679

! species:  tridecylbenzene
! formula:  C_{19}H_{32}
! trivial:  1-phenyltridecane
! casrn:    123-02-4
! inchikey: MCVUKOYZUCWLQQ-UHFFFAOYSA-N
Hvpx_____123_02_4 =  4.9E+03                                  ! [atm] type: V, ref: 3679
Hvpx_____123_02_4 =  9.9E+03                                  ! [atm] type: Q, ref: 3088

! species:  2-phenyltridecane
! formula:  C_{19}H_{32}
! trivial:  
! casrn:    4534-53-6
! inchikey: FCXPVFLEDIQLLO-UHFFFAOYSA-N
Hvpx____4534_53_6 =  2.0E+03                                  ! [atm] type: V, ref: 3679

! species:  3-phenyltridecane
! formula:  C_{19}H_{32}
! trivial:  
! casrn:    4534-52-5
! inchikey: VZZMNLVGDGMQQV-UHFFFAOYSA-N
Hvpx____4534_52_5 =  2.6E+03                                  ! [atm] type: V, ref: 3679

! species:  4-phenyltridecane
! formula:  C_{19}H_{32}
! trivial:  
! casrn:    4534-51-4
! inchikey: RZGVZPAWCGDMCK-UHFFFAOYSA-N
Hvpx____4534_51_4 =  2.7E+03                                  ! [atm] type: V, ref: 3679

! species:  5-phenyltridecane
! formula:  C_{19}H_{32}
! trivial:  
! casrn:    4534-50-3
! inchikey: MZTIRLOLMGVVEK-UHFFFAOYSA-N
Hvpx____4534_50_3 =  3.6E+03                                  ! [atm] type: V, ref: 3679

! species:  6-phenyltridecane
! formula:  C_{19}H_{32}
! trivial:  
! casrn:    4534-49-0
! inchikey: OTSYFFDVDLHIKX-UHFFFAOYSA-N
Hvpx____4534_49_0 =  3.7E+03                                  ! [atm] type: V, ref: 3679

! species:  tetradecylbenzene
! formula:  C_{20}H_{34}
! trivial:  1-phenyltetradecane
! casrn:    1459-10-5
! inchikey: JZALLXAUNPOCEU-UHFFFAOYSA-N
Hvpx____1459_10_5 =  1.3E+04                                  ! [atm] type: Q, ref: 3088

! species:  2-phenyltetradecane
! formula:  C_{20}H_{34}
! trivial:  
! casrn:    4534-59-2
! inchikey: GDFUGKICRHMMOT-UHFFFAOYSA-N
Hvpx____4534_59_2 =  8.2E+02                                  ! [atm] type: V, ref: 3679

! species:  3-phenyltetradecane
! formula:  C_{20}H_{34}
! trivial:  
! casrn:    4534-58-1
! inchikey: ILOABSZOHZMWLD-UHFFFAOYSA-N
Hvpx____4534_58_1 =  8.7E+02                                  ! [atm] type: V, ref: 3679

! species:  4-phenyltetradecane
! formula:  C_{20}H_{34}
! trivial:  
! casrn:    4534-57-0
! inchikey: YXLRHYCRTUAPMC-UHFFFAOYSA-N
Hvpx____4534_57_0 =  1.4E+03                                  ! [atm] type: V, ref: 3679

! species:  5-phenyltetradecane
! formula:  C_{20}H_{34}
! trivial:  
! casrn:    4534-56-9
! inchikey: RAWFVRXBPRHWLJ-UHFFFAOYSA-N
Hvpx____4534_56_9 =  1.1E+03                                  ! [atm] type: V, ref: 3679

! species:  6-phenyltetradecane
! formula:  C_{20}H_{34}
! trivial:  
! casrn:    4534-55-8
! inchikey: MTDIFFBFSKQPIA-UHFFFAOYSA-N
Hvpx____4534_55_8 =  1.5E+03                                  ! [atm] type: V, ref: 3679

! species:  pentadecylbenzene
! formula:  C_{21}H_{36}
! trivial:  
! casrn:    2131-18-2
! inchikey: JIRNEODMTPGRGV-UHFFFAOYSA-N
Hvpx____2131_18_2 =  4.4E+04                                  ! [atm] type: Q, ref: 3088

! species:  ethenylbenzene
! formula:  C_8H_8
! trivial:  styrene
! casrn:    100-42-5
! inchikey: PPBRXRYQALVLMV-UHFFFAOYSA-N
Hvpx_____100_42_5 =  1.5E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____100_42_5 =  1.9E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____100_42_5 =  2.0E+02                                  ! [atm] type: M, ref: 3032
Hvpx_____100_42_5 =  1.2E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____100_42_5 =  1.6E+02                                  ! [atm] type: M, ref: 2938
Hvpx_____100_42_5 =  2.2E+02                                  ! [atm] type: M, ref: 3646
Hvpx_____100_42_5 =  1.4E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____100_42_5 =  1.9E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx_____100_42_5 =  3.0E+02                                  ! [atm] type: M, ref: 2917
Hvpx_____100_42_5 =  1.5E+02                                  ! [atm] type: V, ref: 477
Hvpx_____100_42_5 =  1.7E+02                                  ! [atm] type: V, ref: 1501
Hvpx_____100_42_5 =  1.7E+02                                  ! [atm] type: V, ref: 635
Hvpx_____100_42_5 =  1.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____100_42_5 =  1.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____100_42_5 =  1.4E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____100_42_5 =  1.4E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: C, ref: 1943
Hvpx_____100_42_5 =  1.6E+02                                  ! [atm] type: Q, ref: 3682
Hvpx_____100_42_5 =  4.2E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____100_42_5 =  5.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_42_5 =  6.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____100_42_5 =  2.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____100_42_5 =  7.2E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____100_42_5 =  3.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____100_42_5 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_42_5 =  2.2E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_42_5 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_42_5 =  2.1E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____100_42_5 =  1.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_42_5 =  1.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_42_5 =  1.5E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____100_42_5 =  1.7E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____100_42_5 =  4.4E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____100_42_5 =  1.5E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____100_42_5 =  1.5E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____100_42_5 =  1.4E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____100_42_5 =  2.9E+02                                  ! [atm] type: ?, ref: 3614
Hvpx_____100_42_5 =  1.5E+02                                  ! [atm] type: ?, ref: 789

! species:  ($E$)-1-propenylbenzene
! formula:  C_9H_{10}
! trivial:  
! casrn:    873-66-5
! inchikey: QROGIFZRVHSFLM-QHHAFSJGSA-N
Hvpx_____873_66_5 =  1.9E+02                                  ! [atm] type: Q, ref: 2521

! species:  1-propenylbenzene
! formula:  C_9H_{10}
! trivial:  
! casrn:    637-50-3
! inchikey: QROGIFZRVHSFLM-UHFFFAOYSA-N
Hvpx_____637_50_3 =  1.5E+02                                  ! [atm] type: Q, ref: 3088

! species:  2-propenylbenzene
! formula:  C_9H_{10}
! trivial:  allylbenzene
! casrn:    300-57-2
! inchikey: HJWLCRVIBGQPNF-UHFFFAOYSA-N
Hvpx_____300_57_2 =  4.0E+02                                  ! [atm] type: M, ref: 2917
Hvpx_____300_57_2 =  2.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____300_57_2 =  3.7E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____300_57_2 =  1.9E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____300_57_2 =  3.8E+02                                  ! [atm] type: ?, ref: 3614

! species:  1-ethenyl-3-methylbenzene
! formula:  C_9H_{10}
! trivial:  $m$-methylstyrene
! casrn:    100-80-1
! inchikey: JZHGRUMIRATHIU-UHFFFAOYSA-N
Hvpx_____100_80_1 =  1.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____100_80_1 =  7.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____100_80_1 =  1.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____100_80_1 =  1.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_80_1 =  3.5E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_80_1 =  1.8E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____100_80_1 =  2.1E+02                                  ! [atm] type: ?, ref: 789

! species:  1-ethenyl-4-methylbenzene
! formula:  C_9H_{10}
! trivial:  $p$-methylstyrene
! casrn:    622-97-9
! inchikey: JLBJTVDPSNHSKJ-UHFFFAOYSA-N
Hvpx_____622_97_9 =  1.7E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____622_97_9 =  1.8E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____622_97_9 =  1.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____622_97_9 =  9.9E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____622_97_9 =  7.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____622_97_9 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____622_97_9 =  2.2E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____622_97_9 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____622_97_9 =  1.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____622_97_9 =  1.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____622_97_9 =  2.0E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____622_97_9 =  3.7E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____622_97_9 =  1.8E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____622_97_9 =  1.6E+02                                  ! [atm] type: ?, ref: 789

! species:  (1-methylethenyl)-benzene
! formula:  C_9H_{10}
! trivial:  $\alpha$-methyl styrene
! casrn:    98-83-9
! inchikey: XYLMUPLGERFSHI-UHFFFAOYSA-N
Hvpx______98_83_9 =  1.4E+02                                  ! [atm] type: V, ref: 3586
Hvpx______98_83_9 =  1.4E+02                                  ! [atm] type: V, ref: 3088
Hvpx______98_83_9 =  1.7E+02                                  ! [atm] type: V, ref: 1501
Hvpx______98_83_9 =  1.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______98_83_9 =  2.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______98_83_9 =  1.4E+02                                  ! [atm] type: Q, ref: 2543

! species:  phenylacetylene
! formula:  C_8H_6
! trivial:  
! casrn:    536-74-3
! inchikey: UEXCJVNBTNXOEH-UHFFFAOYSA-N
Hvpx_____536_74_3 =  3.4E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____536_74_3 =  9.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____536_74_3 =  2.5E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____536_74_3 =  2.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____536_74_3 =  1.1E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____536_74_3 =  1.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____536_74_3 =  8.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____536_74_3 =  3.7E+02                                  ! [atm] type: Q, ref: 2535

! species:  $\alpha$-methylstyrene dimer
! formula:  C_{18}H_{20}
! trivial:  
! casrn:    6144-04-3
! inchikey: ATSCZMXECPRPEA-BUHFOSPRSA-N
Hvpx____6144_04_3 =  5.1E+01                                  ! [atm] type: Q, ref: 3088
Hvpx____6144_04_3 =  9.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____6144_04_3 =  7.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____6144_04_3 =  2.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____6144_04_3 =  6.0E+00                                  ! [atm] type: Q, ref: 2995

! species:  1-methyl-4-(1-methylethyl)-cyclohexane
! formula:  C_{10}H_{20}
! trivial:  $p$-menthane
! casrn:    99-82-1
! inchikey: CFJYNSNXFXLKNS-UHFFFAOYSA-N
Hvpx______99_82_1 =  9.7E+04                                  ! [atm] type: V, ref: 3586
Hvpx______99_82_1 =  9.8E+04                                  ! [atm] type: V, ref: 2124
Hvpx______99_82_1 =  2.6E+03                                  ! [atm] type: Q, ref: 3586

! species:  $\alpha$-pinene
! formula:  C_{10}H_{16}
! trivial:  
! casrn:    80-56-8
! inchikey: GRWFGVWFFZKLTI-UHFFFAOYSA-N
Hvpx______80_56_8 =  7.8E+03 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______80_56_8 =  1.9E+03 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3008
Hvpx______80_56_8 =  7.4E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2124
Hvpx______80_56_8 =  9.4E+02                                  ! [atm] type: M, ref: 1922
Hvpx______80_56_8 =  3.9E+01                                  ! [atm] type: M, ref: 3643
Hvpx______80_56_8 =  7.4E+00                                  ! [atm] type: M, ref: 3670
Hvpx______80_56_8 =  2.7E+02                                  ! [atm] type: M, ref: 3611
Hvpx______80_56_8 =  7.8E+03                                  ! [atm] type: M, ref: 2462
Hvpx______80_56_8 =  1.2E+04                                  ! [atm] type: M, ref: 2460
Hvpx______80_56_8 =  1.6E+04                                  ! [atm] type: V, ref: 3586
Hvpx______80_56_8 =  1.6E+04                                  ! [atm] type: V, ref: 3088
Hvpx______80_56_8 =  7.4E+03                                  ! [atm] type: V, ref: 2124
Hvpx______80_56_8 =  7.4E+03                                  ! [atm] type: V, ref: 2487
Hvpx______80_56_8 =  1.9E+04 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2464
Hvpx______80_56_8 =  1.6E+04                                  ! [atm] type: C, ref: 2521
Hvpx______80_56_8 =  2.5E+03                                  ! [atm] type: Q, ref: 3682
Hvpx______80_56_8 =  1.8E+03                                  ! [atm] type: Q, ref: 3586
Hvpx______80_56_8 =  7.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______80_56_8 =  2.3E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______80_56_8 =  9.7E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______80_56_8 =  1.8E+04                                  ! [atm] type: Q, ref: 2521

! species:  $\beta$-pinene
! formula:  C_{10}H_{16}
! trivial:  
! casrn:    127-91-3
! inchikey: WTARULDDTDQWMU-UHFFFAOYSA-N
Hvpx_____127_91_3 =  2.6E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____127_91_3 =  3.4E+03                                  ! [atm] type: M, ref: 2955
Hvpx_____127_91_3 =  3.8E+03 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2124
Hvpx_____127_91_3 =  1.1E+03                                  ! [atm] type: M, ref: 1922
Hvpx_____127_91_3 =  1.2E+04                                  ! [atm] type: M, ref: 2460
Hvpx_____127_91_3 =  3.7E+03                                  ! [atm] type: V, ref: 2124
Hvpx_____127_91_3 =  3.7E+03                                  ! [atm] type: V, ref: 2487
Hvpx_____127_91_3 =  1.3E+03                                  ! [atm] type: Q, ref: 3682
Hvpx_____127_91_3 =  1.2E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____127_91_3 =  1.7E+04                                  ! [atm] type: Q, ref: 3409
Hvpx_____127_91_3 =  4.9E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____127_91_3 =  8.9E+03                                  ! [atm] type: Q, ref: 3088

! species:  1-methyl-4-(1-methylethyl)-1,3-cyclohexadiene
! formula:  C_{10}H_{16}
! trivial:  $\alpha$-terpinene
! casrn:    99-86-5
! inchikey: YHQGMYUVUMAZJR-UHFFFAOYSA-N
Hvpx______99_86_5 =  1.1E+03                                  ! [atm] type: L, ref: 3673
Hvpx______99_86_5 =  1.5E+03                                  ! [atm] type: M, ref: 3423
Hvpx______99_86_5 =  1.9E+03 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2124
Hvpx______99_86_5 =  1.2E+03                                  ! [atm] type: M, ref: 1922
Hvpx______99_86_5 =  2.0E+03                                  ! [atm] type: V, ref: 2124
Hvpx______99_86_5 =  1.1E+03                                  ! [atm] type: V, ref: 2487
Hvpx______99_86_5 =  1.0E+03                                  ! [atm] type: Q, ref: 3682

! species:  1-methyl-4-(1-methylethyl)-1,4-cyclohexadiene
! formula:  C_{10}H_{16}
! trivial:  $\gamma$-terpinene
! casrn:    99-85-4
! inchikey: YKFLAYDHMOASIY-UHFFFAOYSA-N
Hvpx______99_85_4 =  9.6E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______99_85_4 =  1.2E+03                                  ! [atm] type: M, ref: 3423
Hvpx______99_85_4 =  1.4E+03 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2124
Hvpx______99_85_4 =  1.2E+03                                  ! [atm] type: V, ref: 3586
Hvpx______99_85_4 =  1.4E+03                                  ! [atm] type: V, ref: 2124
Hvpx______99_85_4 =  2.0E+03                                  ! [atm] type: V, ref: 2487
Hvpx______99_85_4 =  1.0E+03 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2464
Hvpx______99_85_4 =  8.8E+02                                  ! [atm] type: Q, ref: 3682
Hvpx______99_85_4 =  2.6E+03                                  ! [atm] type: Q, ref: 3586
Hvpx______99_85_4 =  1.6E+03                                  ! [atm] type: Q, ref: 3764

! species:  1-methyl-4-(1-methylethenyl)-cyclohexene
! formula:  C_{10}H_{16}
! trivial:  limonene
! casrn:    138-86-3
! inchikey: XMGQYMWWDOXHJM-UHFFFAOYSA-N
Hvpx_____138_86_3 =  1.2E+03 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____138_86_3 =  1.1E+03 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3008
Hvpx_____138_86_3 =  2.1E+03                                  ! [atm] type: M, ref: 3554
Hvpx_____138_86_3 =  7.8E+02                                  ! [atm] type: M, ref: 2462
Hvpx_____138_86_3 =  2.3E+03                                  ! [atm] type: M, ref: 3646
Hvpx_____138_86_3 =  7.8E+02                                  ! [atm] type: M, ref: 2460
Hvpx_____138_86_3 =  1.8E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____138_86_3 =  1.8E+03                                  ! [atm] type: V, ref: 3088
Hvpx_____138_86_3 =  1.6E+03                                  ! [atm] type: V, ref: 2124
Hvpx_____138_86_3 =  8.5E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125
Hvpx_____138_86_3 =  1.6E+03                                  ! [atm] type: V, ref: 2487
Hvpx_____138_86_3 =  3.2E+03 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2464
Hvpx_____138_86_3 =  7.5E+02                                  ! [atm] type: Q, ref: 3682
Hvpx_____138_86_3 =  8.6E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____138_86_3 =  9.3E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____138_86_3 =  5.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____138_86_3 =  3.7E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____138_86_3 =  5.1E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____138_86_3 =  2.9E+03                                  ! [atm] type: Q, ref: 2530

! species:  ($R$)-1-methyl-4-(1-methylethenyl)-cyclohexene
! formula:  C_{10}H_{16}
! trivial:  $R$-(+)-limonene; $D$-limonene
! casrn:    5989-27-5
! inchikey: XMGQYMWWDOXHJM-SNVBAGLBSA-N
Hvpx____5989_27_5 =  1.5E+03                                  ! [atm] type: M, ref: 3423
Hvpx____5989_27_5 =  2.1E+03                                  ! [atm] type: M, ref: 2955
Hvpx____5989_27_5 =  1.6E+03 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2124
Hvpx____5989_27_5 =  1.4E+03                                  ! [atm] type: V, ref: 3586
Hvpx____5989_27_5 =  1.4E+03                                  ! [atm] type: V, ref: 3088
Hvpx____5989_27_5 =  1.5E+03                                  ! [atm] type: V, ref: 2611
Hvpx____5989_27_5 =  1.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5989_27_5 =  1.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5989_27_5 =  7.5E+02                                  ! [atm] type: Q, ref: 3682
Hvpx____5989_27_5 =  8.6E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____5989_27_5 =  4.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____5989_27_5 =  1.5E+03                                  ! [atm] type: Q, ref: 3579
Hvpx____5989_27_5 =  2.9E+03                                  ! [atm] type: Q, ref: 2530
Hvpx____5989_27_5 =  1.4E+03                                  ! [atm] type: ?, ref: 2440

! species:  ($S$)-1-methyl-4-(1-methylethenyl)-cyclohexene
! formula:  C_{10}H_{16}
! trivial:  $S$-(-)-limonene
! casrn:    5989-54-8
! inchikey: XMGQYMWWDOXHJM-JTQLQIEISA-N
Hvpx____5989_54_8 =  1.5E+03                                  ! [atm] type: M, ref: 3423
Hvpx____5989_54_8 =  1.6E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2124

! species:  3,7,7-trimethyl-bicyclo[4.1.0]hept-3-ene
! formula:  C_{10}H_{16}
! trivial:  3-carene
! casrn:    13466-78-9
! inchikey: BQOFWKZOCNGFEC-UHFFFAOYSA-N
Hvpx___13466_78_9 =  3.4E+03                                  ! [atm] type: M, ref: 2460
Hvpx___13466_78_9 =  7.5E+03                                  ! [atm] type: V, ref: 2124
Hvpx___13466_78_9 =  7.4E+03                                  ! [atm] type: V, ref: 2487

! species:  7-methyl-3-methylene-1,6-octadiene
! formula:  C_{10}H_{16}
! trivial:  myrcene
! casrn:    123-35-3
! inchikey: UAHWPYUMFXYFJY-UHFFFAOYSA-N
Hvpx_____123_35_3 =  1.4E+03                                  ! [atm] type: L, ref: 3673
Hvpx_____123_35_3 =  1.5E+03                                  ! [atm] type: M, ref: 3423
Hvpx_____123_35_3 =  6.2E+02                                  ! [atm] type: M, ref: 2462
Hvpx_____123_35_3 =  3.6E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____123_35_3 =  5.1E+03                                  ! [atm] type: V, ref: 3088
Hvpx_____123_35_3 =  3.4E+03                                  ! [atm] type: V, ref: 2124
Hvpx_____123_35_3 =  7.6E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125
Hvpx_____123_35_3 =  3.4E+03                                  ! [atm] type: V, ref: 2487
Hvpx_____123_35_3 =  4.3E+03                                  ! [atm] type: Q, ref: 3682
Hvpx_____123_35_3 =  7.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_35_3 =  3.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_35_3 =  8.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_35_3 =  2.8E+04                                  ! [atm] type: Q, ref: 2546

! species:  1-methyl-4-(1-methylethylidene)-cyclohexene
! formula:  C_{10}H_{16}
! trivial:  $\alpha$-terpinolene
! casrn:    586-62-9
! inchikey: MOYAFQVGZZPNRA-UHFFFAOYSA-N
Hvpx_____586_62_9 =  6.9E+02 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____586_62_9 =  1.5E+03 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2124
Hvpx_____586_62_9 =  7.7E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____586_62_9 =  1.5E+03                                  ! [atm] type: V, ref: 2124
Hvpx_____586_62_9 =  1.4E+03                                  ! [atm] type: V, ref: 2487
Hvpx_____586_62_9 =  9.6E+02 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2464

! species:  $\alpha$-phellandrene
! formula:  C_{10}H_{16}
! trivial:  
! casrn:    99-83-2
! inchikey: OGLDWXZKYODSOB-UHFFFAOYSA-N
Hvpx______99_83_2 =  3.0E+03                                  ! [atm] type: L, ref: 3673
Hvpx______99_83_2 =  3.0E+03 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2124
Hvpx______99_83_2 =  3.0E+03                                  ! [atm] type: V, ref: 2124
Hvpx______99_83_2 =  3.8E+03                                  ! [atm] type: V, ref: 2487
Hvpx______99_83_2 =  1.0E+03                                  ! [atm] type: Q, ref: 3682

! species:  ($R$)-($-$)-$\alpha$-phellandrene
! formula:  C_{10}H_{16}
! trivial:  
! casrn:    4221-98-1
! inchikey: OGLDWXZKYODSOB-SNVBAGLBSA-N
Hvpx____4221_98_1 =  1.6E+03                                  ! [atm] type: M, ref: 3423

! species:  $\beta$-phellandrene
! formula:  C_{10}H_{16}
! trivial:  
! casrn:    555-10-2
! inchikey: LFJQCDVYDGGFCH-UHFFFAOYSA-N
Hvpx_____555_10_2 =  3.0E+03 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2124
Hvpx_____555_10_2 =  3.1E+03                                  ! [atm] type: V, ref: 2124
Hvpx_____555_10_2 =  3.1E+03                                  ! [atm] type: V, ref: 2487
Hvpx_____555_10_2 =  9.0E+02                                  ! [atm] type: Q, ref: 3682

! species:  3,7-dimethyl-1,3,6-octatriene
! formula:  C_{10}H_{16}
! trivial:  $\beta$-ocimene
! casrn:    13877-91-3
! inchikey: IHPKGUQCSIINRJ-UHFFFAOYSA-N
Hvpx___13877_91_3 =  1.4E+03                                  ! [atm] type: V, ref: 2124

! species:  ($Z$)-3,7-dimethyl-1,3,6-octatriene
! formula:  C_{10}H_{16}
! trivial:  {\it cis}-$\beta$-ocimene
! casrn:    3338-55-4
! inchikey: IHPKGUQCSIINRJ-NTMALXAHSA-N
Hvpx____3338_55_4 =  1.3E+03                                  ! [atm] type: V, ref: 2487

! species:  ($E$)-3,7-dimethyl-1,3,6-octatriene
! formula:  C_{10}H_{16}
! trivial:  {\it trans}-$\beta$-ocimene
! casrn:    3779-61-1
! inchikey: IHPKGUQCSIINRJ-CSKARUKUSA-N
Hvpx____3779_61_1 =  1.8E+03                                  ! [atm] type: V, ref: 2487

! species:  2,2-dimethyl-3-methylene-bicyclo[2.2.1]heptane
! formula:  C_{10}H_{16}
! trivial:  camphene
! casrn:    79-92-5
! inchikey: CRPUJAZIXJMDBK-UHFFFAOYSA-N
Hvpx______79_92_5 =  2.3E+03                                  ! [atm] type: L, ref: 3673
Hvpx______79_92_5 =  5.4E+03                                  ! [atm] type: V, ref: 3088
Hvpx______79_92_5 =  1.8E+03                                  ! [atm] type: V, ref: 2124
Hvpx______79_92_5 =  8.7E+02                                  ! [atm] type: V, ref: 2487

! species:  4-methylene-1-(1-methylethyl)-bicyclo[3.1.0]hexane
! formula:  C_{10}H_{16}
! trivial:  sabinene
! casrn:    3387-41-5
! inchikey: NDVASEGYNIMXJL-UHFFFAOYSA-N
Hvpx____3387_41_5 =  3.6E+03                                  ! [atm] type: L, ref: 3673
Hvpx____3387_41_5 =  3.5E+03                                  ! [atm] type: V, ref: 2124
Hvpx____3387_41_5 =  3.5E+03                                  ! [atm] type: V, ref: 2487

! species:  tricyclo[3.3.1.1(3,7)]decane
! formula:  C_{10}H_{16}
! trivial:  adamantane
! casrn:    281-23-2
! inchikey: ORILYTVJVMAKLC-UHFFFAOYSA-N
Hvpx_____281_23_2 =  6.8E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125
Hvpx_____281_23_2 =  5.1E+03                                  ! [atm] type: Q, ref: 2521

! species:  $\beta$-caryophyllene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    87-44-5
! inchikey: NPNUFJAVOOONJE-IOMPXFEGSA-N
Hvpx______87_44_5 =  1.5E+03 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3216
Hvpx______87_44_5 =  2.1E+02                                  ! [atm] type: Q, ref: 3682
Hvpx______87_44_5 =  8.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______87_44_5 =  1.6E+04                                  ! [atm] type: Q, ref: 3409
Hvpx______87_44_5 =  5.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  $\alpha$-cedrene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    469-61-4
! inchikey: IRAQOCYXUMOFCW-KYEXWDHISA-N
Hvpx_____469_61_4 =  1.9E+03 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3216

! species:  $\alpha$-farnesene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    502-61-4
! inchikey: CXENHBSYCFFKJS-VDQVFBMKSA-N
Hvpx_____502_61_4 =  1.6E+03 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3216
Hvpx_____502_61_4 =  6.7E+04                                  ! [atm] type: M, ref: 3423

! species:  $\alpha$-humulene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    6753-98-6
! inchikey: FAMPSKZZVDUYOS-HRGUGZIWSA-N
Hvpx____6753_98_6 =  1.9E+03 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3216

! species:  $\gamma$-gurjunene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    22567-17-5
! inchikey: DUYRYUZIBGFLDD-UHFFFAOYSA-N
Hvpx___22567_17_5 =  1.7E+03 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3216

! species:  isosativene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    24959-83-9
! inchikey: CGZBLYYTRIVVTD-UHFFFAOYSA-N
Hvpx___24959_83_9 =  1.4E+03 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3216

! species:  $\alpha$-longipinene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    5989-08-2
! inchikey: HICYDYJTCDBHMZ-UHFFFAOYSA-N
Hvpx____5989_08_2 =  1.6E+03 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3216

! species:  $\alpha$-neoclovene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    4545-68-0
! inchikey: ZCJQJJWNFDNQGZ-UHFFFAOYSA-N
Hvpx____4545_68_0 =  1.9E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3216

! species:  $\beta$-neoclovene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    56684-96-9
! inchikey: BUDWHMNUSAOQBI-UHFFFAOYSA-N
Hvpx___56684_96_9 =  1.9E+03 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3216

! species:  $\gamma$-neoclovene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZYKFQRCKKGFKQR-UHFFFAOYSA-N
Hvpx_ZYKFQRCKKGFKQR_UHFFFAOYSA_N =  1.9E+03 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3216

! species:  valencene
! formula:  C_{15}H_{24}
! trivial:  
! casrn:    4630-07-3
! inchikey: QEBNYNLSCGVZOH-UHFFFAOYSA-N
Hvpx____4630_07_3 =  1.7E+03 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3216

! species:  bis(1-methylethyl)-1,1'-biphenyl
! formula:  C_{18}H_{22}
! trivial:  
! casrn:    36876-13-8
! inchikey: NUEUMFZLNOCRCQ-UHFFFAOYSA-N
Hvpx___36876_13_8 =  1.2E+02                                  ! [atm] type: Q, ref: 3088
Hvpx___36876_13_8 =  8.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___36876_13_8 =  1.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___36876_13_8 =  1.7E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___36876_13_8 =  2.8E+01                                  ! [atm] type: Q, ref: 2995

! species:  1,1-bis(3,4-dimethylphenyl)ethane
! formula:  C_{18}H_{22}
! trivial:  
! casrn:    1742-14-9
! inchikey: NCSVCMFDHINRJE-UHFFFAOYSA-N
Hvpx____1742_14_9 =  5.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1742_14_9 =  3.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1742_14_9 =  8.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1742_14_9 =  1.1E+02                                  ! [atm] type: Q, ref: 2995

! species:  1-benzyl-2-(2-methylbenzyl)benzene
! formula:  C_{21}H_{20}
! trivial:  
! casrn:    100404-06-6
! inchikey: SMOZJCPUZPHHKQ-UHFFFAOYSA-N
Hvpx__100404_06_6 =  2.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx__100404_06_6 =  2.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx__100404_06_6 =  3.8E-01                                  ! [atm] type: Q, ref: 2995
Hvpx__100404_06_6 =  1.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  2,5-dibenzyltoluene
! formula:  C_{21}H_{20}
! trivial:  
! casrn:    56310-11-3
! inchikey: INLIRICAUXXHSB-UHFFFAOYSA-N
Hvpx___56310_11_3 =  2.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___56310_11_3 =  1.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___56310_11_3 =  1.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___56310_11_3 =  1.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  biphenyl
! formula:  (C_6H_5)_2
! trivial:  
! casrn:    92-52-4
! inchikey: ZUOUZKKEUPVFJK-UHFFFAOYSA-N
Hvpx______92_52_4 =  1.5E+01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______92_52_4 =  1.5E+01                                  ! [atm] type: L, ref: 479
Hvpx______92_52_4 =  1.6E+01                                  ! [atm] type: M, ref: 2497
Hvpx______92_52_4 =  1.7E+01                                  ! [atm] type: M, ref: 2339
Hvpx______92_52_4 =  1.1E+01                                  ! [atm] type: M, ref: 1144
Hvpx______92_52_4 =  1.7E+01                                  ! [atm] type: M, ref: 479
Hvpx______92_52_4 =  2.3E+01                                  ! [atm] type: M, ref: 490
Hvpx______92_52_4 =  1.6E+01                                  ! [atm] type: V, ref: 2611
Hvpx______92_52_4 =  1.6E+01                                  ! [atm] type: V, ref: 2612
Hvpx______92_52_4 =  1.5E+01                                  ! [atm] type: V, ref: 2338
Hvpx______92_52_4 =  1.6E+01                                  ! [atm] type: V, ref: 2339
Hvpx______92_52_4 =  1.5E+01                                  ! [atm] type: V, ref: 1501
Hvpx______92_52_4 =  2.9E+01                                  ! [atm] type: V, ref: 633
Hvpx______92_52_4 =  4.7E+01                                  ! [atm] type: V, ref: 2478
Hvpx______92_52_4 =  2.9E+01                                  ! [atm] type: V, ref: 2302
Hvpx______92_52_4 =  7.5E+00                                  ! [atm] type: V, ref: 850
Hvpx______92_52_4 =  2.8E-02 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: V, ref: 3794
Hvpx______92_52_4 =  1.6E+01                                  ! [atm] type: V, ref: 1910
Hvpx______92_52_4 =  8.6E+01                                  ! [atm] type: V, ref: 2471
Hvpx______92_52_4 =  4.6E+01                                  ! [atm] type: V, ref: 790
Hvpx______92_52_4 =  7.2E+01 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx______92_52_4 =  3.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______92_52_4 =  1.4E+01                                  ! [atm] type: Q, ref: 3682
Hvpx______92_52_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______92_52_4 =  1.9E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______92_52_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3665
Hvpx______92_52_4 =  4.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______92_52_4 =  1.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______92_52_4 =  1.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______92_52_4 =  2.1E+01                                  ! [atm] type: Q, ref: 2543
Hvpx______92_52_4 =  1.2E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______92_52_4 =  6.8E+01                                  ! [atm] type: Q, ref: 2482
Hvpx______92_52_4 =  1.9E+01                                  ! [atm] type: Q, ref: 2481
Hvpx______92_52_4 =  1.7E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______92_52_4 =  4.7E+01                                  ! [atm] type: ?, ref: 789

! species:  2-methyl-1,1'-biphenyl
! formula:  C_{13}H_{12}
! trivial:  
! casrn:    643-58-3
! inchikey: ALLIZEAXNXSFGD-UHFFFAOYSA-N
Hvpx_____643_58_3 =  2.5E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____643_58_3 =  5.3E+01                                  ! [atm] type: Q, ref: 2521

! species:  3-methyl-1,1'-biphenyl
! formula:  C_{13}H_{12}
! trivial:  
! casrn:    643-93-6
! inchikey: NPDIDUXTRAITDE-UHFFFAOYSA-N
Hvpx_____643_93_6 =  3.7E+01                                  ! [atm] type: Q, ref: 2521

! species:  4-methyl-1,1'-biphenyl
! formula:  C_{13}H_{12}
! trivial:  
! casrn:    644-08-6
! inchikey: ZZLCFHIKESPLTH-UHFFFAOYSA-N
Hvpx_____644_08_6 =  3.4E+01                                  ! [atm] type: Q, ref: 2521

! species:  diphenylmethane
! formula:  C_{13}H_{12}
! trivial:  1,1'-methylenebisbenzene
! casrn:    101-81-5
! inchikey: CZZYITDELCSZES-UHFFFAOYSA-N
Hvpx_____101_81_5 =  7.1E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____101_81_5 =  7.2E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____101_81_5 =  5.1E-01                                  ! [atm] type: V, ref: 2611
Hvpx_____101_81_5 =  5.1E-01                                  ! [atm] type: V, ref: 635
Hvpx_____101_81_5 =  1.2E+01                                  ! [atm] type: V, ref: 1145
Hvpx_____101_81_5 =  1.2E+01                                  ! [atm] type: V, ref: 1910
Hvpx_____101_81_5 =  5.5E-01                                  ! [atm] type: X, ref: 634
Hvpx_____101_81_5 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____101_81_5 =  2.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____101_81_5 =  9.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____101_81_5 =  2.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____101_81_5 =  3.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____101_81_5 =  2.7E+01                                  ! [atm] type: Q, ref: 1145
Hvpx_____101_81_5 =  1.3E+01                                  ! [atm] type: ?, ref: 2440

! species:  1,2-diphenylethane
! formula:  C_{14}H_{14}
! trivial:  dibenzyl
! casrn:    103-29-7
! inchikey: QWUWMCYKGHVNAV-UHFFFAOYSA-N
Hvpx_____103_29_7 =  9.2E+00                                  ! [atm] type: V, ref: 2611
Hvpx_____103_29_7 =  9.2E+00                                  ! [atm] type: V, ref: 635
Hvpx_____103_29_7 =  9.3E+00                                  ! [atm] type: X, ref: 634

! species:  3-isopropyl-1,1'-biphenyl
! formula:  C_{15}H_{16}
! trivial:  
! casrn:    20282-30-8
! inchikey: LIWRTHVZRZXVFX-UHFFFAOYSA-N
Hvpx___20282_30_8 =  9.5E+01                                  ! [atm] type: ?, ref: 3766

! species:  4-isopropyl-1,1'-biphenyl
! formula:  C_{15}H_{16}
! trivial:  
! casrn:    7116-95-2
! inchikey: KWSHGRJUSUJPQD-UHFFFAOYSA-N
Hvpx____7116_95_2 =  1.3E+02                                  ! [atm] type: ?, ref: 3766

! species:  $o$-terphenyl
! formula:  C_{18}H_{14}
! trivial:  
! casrn:    84-15-1
! inchikey: OIAQMFOKAXHPNH-UHFFFAOYSA-N
Hvpx______84_15_1 =  3.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx______84_15_1 =  3.4E+00                                  ! [atm] type: V, ref: 3088
Hvpx______84_15_1 =  4.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______84_15_1 =  1.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______84_15_1 =  6.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______84_15_1 =  7.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______84_15_1 =  1.4E-01                                  ! [atm] type: Q, ref: 2995

! species:  $m$-terphenyl
! formula:  C_{18}H_{14}
! trivial:  
! casrn:    92-06-8
! inchikey: YJTKZCDBKVTVBY-UHFFFAOYSA-N
Hvpx______92_06_8 =  1.9E-01                                  ! [atm] type: V, ref: 3586
Hvpx______92_06_8 =  1.9E-01                                  ! [atm] type: V, ref: 3088
Hvpx______92_06_8 =  4.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______92_06_8 =  4.7E-01                                  ! [atm] type: Q, ref: 3665

! species:  $p$-terphenyl
! formula:  C_{18}H_{14}
! trivial:  
! casrn:    92-94-4
! inchikey: XJKSTNDFUHDPQJ-UHFFFAOYSA-N
Hvpx______92_94_4 =  9.1E-02                                  ! [atm] type: V, ref: 3586
Hvpx______92_94_4 =  2.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______92_94_4 =  4.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______92_94_4 =  1.9E+00                                  ! [atm] type: Q, ref: 3088
Hvpx______92_94_4 =  1.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______92_94_4 =  2.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______92_94_4 =  4.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______92_94_4 =  1.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______92_94_4 =  2.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  indene
! formula:  C_9H_8
! trivial:  
! casrn:    95-13-6
! inchikey: YBYIRNPNPLQARY-UHFFFAOYSA-N
Hvpx______95_13_6 =  8.8E+01                                  ! [atm] type: Q, ref: 3088

! species:  5-ethylidene-2-norbornene
! formula:  C_9H_{12}
! trivial:  
! casrn:    16219-75-3
! inchikey: OJOWICOBYCXEKR-KRXBUXKQSA-N
Hvpx___16219_75_3 =  7.2E+03                                  ! [atm] type: Q, ref: 3088

! species:  indane
! formula:  C_9H_{10}
! trivial:  
! casrn:    496-11-7
! inchikey: PQNFLJBBNBOBRQ-UHFFFAOYSA-N
Hvpx_____496_11_7 =  1.3E+02                                  ! [atm] type: L, ref: 3673
Hvpx_____496_11_7 =  1.3E+02                                  ! [atm] type: V, ref: 2611
Hvpx_____496_11_7 =  1.2E+02                                  ! [atm] type: V, ref: 1501
Hvpx_____496_11_7 =  1.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____496_11_7 =  1.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____496_11_7 =  2.3E+02                                  ! [atm] type: Q, ref: 3682
Hvpx_____496_11_7 =  5.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____496_11_7 =  4.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____496_11_7 =  1.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____496_11_7 =  1.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____496_11_7 =  4.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____496_11_7 =  2.5E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____496_11_7 =  1.1E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____496_11_7 =  7.6E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____496_11_7 =  9.4E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____496_11_7 =  1.1E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____496_11_7 =  1.2E+02                                  ! [atm] type: ?, ref: 2440

! species:  azulene
! formula:  C_{10}H_8
! trivial:  
! casrn:    275-51-4
! inchikey: CUFNKYGDVFVPHO-UHFFFAOYSA-N
Hvpx_____275_51_4 =  3.7E+00 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  naphthalene
! formula:  C_{10}H_8
! trivial:  
! casrn:    91-20-3
! inchikey: UFWIBTONFRDIAS-UHFFFAOYSA-N
Hvpx______91_20_3 =  2.6E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______91_20_3 =  2.6E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______91_20_3 =  2.6E+01                                  ! [atm] type: L, ref: 2989
Hvpx______91_20_3 =  2.5E+01                                  ! [atm] type: L, ref: 2989
Hvpx______91_20_3 =  2.5E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______91_20_3 =  2.3E+01                                  ! [atm] type: L, ref: 479
Hvpx______91_20_3 =  1.6E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______91_20_3 =  9.1E+00                                  ! [atm] type: M, ref: 3014
Hvpx______91_20_3 =  1.4E+01                                  ! [atm] type: M, ref: 2899
Hvpx______91_20_3 =  2.3E+01                                  ! [atm] type: M, ref: 2497
Hvpx______91_20_3 =  4.2E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx______91_20_3 =  3.1E+01                                  ! [atm] type: M, ref: 1195
Hvpx______91_20_3 =  2.5E+01                                  ! [atm] type: M, ref: 981
Hvpx______91_20_3 =  2.4E+01                                  ! [atm] type: M, ref: 2339
Hvpx______91_20_3 =  3.1E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______91_20_3 =  2.3E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1597
Hvpx______91_20_3 =  2.5E+01                                  ! [atm] type: M, ref: 2937
Hvpx______91_20_3 =  4.1E+01                                  ! [atm] type: M, ref: 1144
Hvpx______91_20_3 =  2.0E+01                                  ! [atm] type: M, ref: 2479
Hvpx______91_20_3 =  2.1E+01                                  ! [atm] type: M, ref: 2537
Hvpx______91_20_3 =  2.7E+01                                  ! [atm] type: M, ref: 490
Hvpx______91_20_3 =  3.1E+01                                  ! [atm] type: M, ref: 2459
Hvpx______91_20_3 =  2.5E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2458
Hvpx______91_20_3 =  2.3E+01                                  ! [atm] type: V, ref: 2611
Hvpx______91_20_3 =  2.3E+01                                  ! [atm] type: V, ref: 2338
Hvpx______91_20_3 =  1.7E+01                                  ! [atm] type: V, ref: 981
Hvpx______91_20_3 =  2.3E+01                                  ! [atm] type: V, ref: 2339
Hvpx______91_20_3 =  2.7E+01                                  ! [atm] type: V, ref: 477
Hvpx______91_20_3 =  2.4E+01                                  ! [atm] type: V, ref: 1501
Hvpx______91_20_3 =  6.1E+01                                  ! [atm] type: V, ref: 2439
Hvpx______91_20_3 =  7.6E+01                                  ! [atm] type: V, ref: 2478
Hvpx______91_20_3 =  2.4E+01                                  ! [atm] type: V, ref: 1910
Hvpx______91_20_3 =  2.3E+01                                  ! [atm] type: V, ref: 642
Hvpx______91_20_3 =  6.5E+01                                  ! [atm] type: V, ref: 2471
Hvpx______91_20_3 =  2.2E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx______91_20_3 =  2.4E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx______91_20_3 =  2.9E+01                                  ! [atm] type: V, ref: 790
Hvpx______91_20_3 =  5.2E+01 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx______91_20_3 =  2.6E+01                                  ! [atm] type: T, ref: 490
Hvpx______91_20_3 =  7.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______91_20_3 =  2.7E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______91_20_3 =  2.0E+01                                  ! [atm] type: X, ref: mccarty80
Hvpx______91_20_3 =  2.7E+01                                  ! [atm] type: C, ref: 3071
Hvpx______91_20_3 =  2.7E+01                                  ! [atm] type: C, ref: 2235
Hvpx______91_20_3 =  3.0E+01                                  ! [atm] type: Q, ref: 3682
Hvpx______91_20_3 =  4.2E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______91_20_3 =  2.3E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______91_20_3 =  3.0E+01                                  ! [atm] type: Q, ref: 3400
Hvpx______91_20_3 =  2.0E+01                                  ! [atm] type: Q, ref: 3655
Hvpx______91_20_3 =  3.6E+01                                  ! [atm] type: Q, ref: 3665
Hvpx______91_20_3 =  2.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______91_20_3 =  1.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______91_20_3 =  2.2E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______91_20_3 =  2.6E+01                                  ! [atm] type: Q, ref: 2543
Hvpx______91_20_3 =  1.7E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______91_20_3 =  9.8E+00                                  ! [atm] type: Q, ref: 731
Hvpx______91_20_3 =  1.3E+01                                  ! [atm] type: Q, ref: 1162
Hvpx______91_20_3 =  1.7E+01                                  ! [atm] type: Q, ref: 2482
Hvpx______91_20_3 =  1.6E+01                                  ! [atm] type: Q, ref: 2481
Hvpx______91_20_3 =  2.4E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______91_20_3 =  1.5E+01                                  ! [atm] type: ?, ref: 3087
Hvpx______91_20_3 =  6.8E+01                                  ! [atm] type: ?, ref: 789
Hvpx______91_20_3 =  2.4E+01                                  ! [atm] type: ?, ref: 1500

! species:  naphthalene-d8
! formula:  C_{10}D_8
! trivial:  
! casrn:    1146-65-2
! inchikey: UFWIBTONFRDIAS-PGRXLJNUSA-N
Hvpx____1146_65_2 =  1.6E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1-methylnaphthalene
! formula:  C_{10}H_7CH_3
! trivial:  
! casrn:    90-12-0
! inchikey: QPUYECUOLPXSFR-UHFFFAOYSA-N
Hvpx______90_12_0 =  2.7E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______90_12_0 =  2.5E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______90_12_0 =  2.5E+01                                  ! [atm] type: L, ref: 479
Hvpx______90_12_0 =  1.2E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______90_12_0 =  2.8E+01                                  ! [atm] type: M, ref: 1195
Hvpx______90_12_0 =  2.6E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2477
Hvpx______90_12_0 =  1.3E+01                                  ! [atm] type: M, ref: 2339
Hvpx______90_12_0 =  3.4E+01                                  ! [atm] type: M, ref: 1144
Hvpx______90_12_0 =  1.4E+01                                  ! [atm] type: M, ref: 479
Hvpx______90_12_0 =  2.0E+01 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2458
Hvpx______90_12_0 =  2.5E+01                                  ! [atm] type: V, ref: 2611
Hvpx______90_12_0 =  2.5E+01                                  ! [atm] type: V, ref: 2338
Hvpx______90_12_0 =  2.5E+01                                  ! [atm] type: V, ref: 2339
Hvpx______90_12_0 =  2.2E+01                                  ! [atm] type: V, ref: 1501
Hvpx______90_12_0 =  2.2E+01                                  ! [atm] type: V, ref: 2478
Hvpx______90_12_0 =  2.5E+01                                  ! [atm] type: V, ref: 1910
Hvpx______90_12_0 =  2.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______90_12_0 =  3.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______90_12_0 =  4.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______90_12_0 =  3.4E+01                                  ! [atm] type: Q, ref: 3400
Hvpx______90_12_0 =  2.4E+01                                  ! [atm] type: Q, ref: 3655
Hvpx______90_12_0 =  3.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______90_12_0 =  2.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______90_12_0 =  1.8E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______90_12_0 =  1.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______90_12_0 =  3.6E+01                                  ! [atm] type: Q, ref: 2543
Hvpx______90_12_0 =  4.7E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______90_12_0 =  2.4E+01                                  ! [atm] type: Q, ref: 2482
Hvpx______90_12_0 =  2.8E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______90_12_0 =  2.5E+01                                  ! [atm] type: ?, ref: 2440
Hvpx______90_12_0 =  2.0E+01                                  ! [atm] type: ?, ref: 789

! species:  1-methylnaphthalene-d10
! formula:  C_{10}D_7CD_3
! trivial:  
! casrn:    38072-94-5
! inchikey: QPUYECUOLPXSFR-UZHHFJDZSA-N
Hvpx___38072_94_5 =  1.2E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  2-methylnaphthalene
! formula:  C_{10}H_7CH_3
! trivial:  
! casrn:    91-57-6
! inchikey: QIMMUPPBPVKWKM-UHFFFAOYSA-N
Hvpx______91_57_6 =  2.7E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______91_57_6 =  3.0E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______91_57_6 =  1.5E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______91_57_6 =  3.4E+01                                  ! [atm] type: M, ref: 1195
Hvpx______91_57_6 =  2.8E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2477
Hvpx______91_57_6 =  2.5E+01                                  ! [atm] type: M, ref: 981
Hvpx______91_57_6 =  1.1E+04 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx______91_57_6 =  1.8E+01                                  ! [atm] type: M, ref: 1144
Hvpx______91_57_6 =  2.8E+01                                  ! [atm] type: V, ref: 2611
Hvpx______91_57_6 =  2.1E+01                                  ! [atm] type: V, ref: 981
Hvpx______91_57_6 =  2.8E+01                                  ! [atm] type: V, ref: 2339
Hvpx______91_57_6 =  2.2E+01                                  ! [atm] type: V, ref: 1145
Hvpx______91_57_6 =  2.7E+01                                  ! [atm] type: V, ref: 2478
Hvpx______91_57_6 =  2.3E+01                                  ! [atm] type: V, ref: 479
Hvpx______91_57_6 =  2.8E+01                                  ! [atm] type: X, ref: 634
Hvpx______91_57_6 =  2.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______91_57_6 =  3.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______91_57_6 =  4.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______91_57_6 =  3.4E+01                                  ! [atm] type: Q, ref: 3400
Hvpx______91_57_6 =  2.4E+01                                  ! [atm] type: Q, ref: 3655
Hvpx______91_57_6 =  3.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______91_57_6 =  2.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______91_57_6 =  2.2E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______91_57_6 =  2.2E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______91_57_6 =  4.6E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______91_57_6 =  3.2E+01                                  ! [atm] type: Q, ref: 1145
Hvpx______91_57_6 =  2.9E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______91_57_6 =  2.4E+01                                  ! [atm] type: ?, ref: 2440
Hvpx______91_57_6 =  2.8E+01                                  ! [atm] type: ?, ref: 789

! species:  1-ethylnaphthalene
! formula:  C_{10}H_7C_2H_5
! trivial:  
! casrn:    1127-76-0
! inchikey: ZMXIYERNXPIYFR-UHFFFAOYSA-N
Hvpx____1127_76_0 =  2.7E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx____1127_76_0 =  2.1E+01                                  ! [atm] type: L, ref: 479
Hvpx____1127_76_0 =  3.8E+01                                  ! [atm] type: M, ref: 1195
Hvpx____1127_76_0 =  2.5E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2458
Hvpx____1127_76_0 =  2.1E+01                                  ! [atm] type: V, ref: 2611
Hvpx____1127_76_0 =  2.0E+01                                  ! [atm] type: V, ref: 2478
Hvpx____1127_76_0 =  2.4E+01                                  ! [atm] type: V, ref: 1910
Hvpx____1127_76_0 =  2.1E+01                                  ! [atm] type: X, ref: 634
Hvpx____1127_76_0 =  2.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1127_76_0 =  2.5E+01                                  ! [atm] type: Q, ref: 3730
Hvpx____1127_76_0 =  4.5E+01                                  ! [atm] type: Q, ref: 3586
Hvpx____1127_76_0 =  2.8E+01                                  ! [atm] type: Q, ref: 3655
Hvpx____1127_76_0 =  3.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____1127_76_0 =  2.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx____1127_76_0 =  2.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx____1127_76_0 =  1.1E+02                                  ! [atm] type: Q, ref: 2535
Hvpx____1127_76_0 =  5.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx____1127_76_0 =  2.5E+00                                  ! [atm] type: Q, ref: 984
Hvpx____1127_76_0 =  3.8E+01                                  ! [atm] type: ?, ref: 3586
Hvpx____1127_76_0 =  2.7E+01                                  ! [atm] type: ?, ref: 2440
Hvpx____1127_76_0 =  2.0E+01                                  ! [atm] type: ?, ref: 789

! species:  2-ethylnaphthalene
! formula:  C_{10}H_7C_2H_5
! trivial:  
! casrn:    939-27-5
! inchikey: RJTJVVYSTUQWNI-UHFFFAOYSA-N
Hvpx_____939_27_5 =  4.5E+01                                  ! [atm] type: L, ref: 479
Hvpx_____939_27_5 =  3.0E+01                                  ! [atm] type: M, ref: 1195
Hvpx_____939_27_5 =  4.3E+01                                  ! [atm] type: V, ref: 2611
Hvpx_____939_27_5 =  3.5E+01                                  ! [atm] type: V, ref: 2478
Hvpx_____939_27_5 =  4.3E+01                                  ! [atm] type: X, ref: 634
Hvpx_____939_27_5 =  6.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____939_27_5 =  2.5E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____939_27_5 =  4.5E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____939_27_5 =  2.9E+01                                  ! [atm] type: Q, ref: 3655
Hvpx_____939_27_5 =  1.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____939_27_5 =  3.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____939_27_5 =  2.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____939_27_5 =  2.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____939_27_5 =  4.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____939_27_5 =  3.0E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____939_27_5 =  3.5E+01                                  ! [atm] type: ?, ref: 789

! species:  1,2,3,4-tetrahydronaphthalene
! formula:  C_{10}H_{12}
! trivial:  tetralin
! casrn:    119-64-2
! inchikey: CXWXQJXEFPUFDZ-UHFFFAOYSA-N
Hvpx_____119_64_2 =  8.5E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____119_64_2 =  1.1E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____119_64_2 =  7.5E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____119_64_2 =  2.6E+02                                  ! [atm] type: V, ref: 635
Hvpx_____119_64_2 =  9.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____119_64_2 =  4.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____119_64_2 =  9.4E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____119_64_2 =  1.5E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____119_64_2 =  1.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____119_64_2 =  4.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____119_64_2 =  1.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____119_64_2 =  7.6E+01                                  ! [atm] type: ?, ref: 2440

! species:  1,2-dimethylnaphthalene
! formula:  C_{12}H_{12}
! trivial:  
! casrn:    573-98-8
! inchikey: QNLZIZAQLLYXTC-UHFFFAOYSA-N
Hvpx_____573_98_8 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____573_98_8 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____573_98_8 =  2.1E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____573_98_8 =  1.3E+01                                  ! [atm] type: Q, ref: 3655
Hvpx_____573_98_8 =  4.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  1,3-dimethylnaphthalene
! formula:  C_{12}H_{12}
! trivial:  
! casrn:    575-41-7
! inchikey: QHJMFSMPSZREIF-UHFFFAOYSA-N
Hvpx_____575_41_7 =  3.3E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____575_41_7 =  2.1E+01                                  ! [atm] type: V, ref: 1910
Hvpx_____575_41_7 =  9.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____575_41_7 =  2.7E+01                                  ! [atm] type: Q, ref: 3655
Hvpx_____575_41_7 =  2.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____575_41_7 =  1.9E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____575_41_7 =  1.2E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____575_41_7 =  4.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____575_41_7 =  2.9E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____575_41_7 =  3.9E+01                                  ! [atm] type: ?, ref: 789

! species:  1,4-dimethylnaphthalene
! formula:  C_{12}H_{12}
! trivial:  
! casrn:    571-58-4
! inchikey: APQSQLNWAIULLK-UHFFFAOYSA-N
Hvpx_____571_58_4 =  2.1E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____571_58_4 =  1.7E+01                                  ! [atm] type: V, ref: 2611
Hvpx_____571_58_4 =  1.2E+01                                  ! [atm] type: V, ref: 1910
Hvpx_____571_58_4 =  9.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____571_58_4 =  2.8E+01                                  ! [atm] type: Q, ref: 3655
Hvpx_____571_58_4 =  1.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____571_58_4 =  1.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____571_58_4 =  1.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____571_58_4 =  2.8E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____571_58_4 =  4.2E+01                                  ! [atm] type: ?, ref: 3549
Hvpx_____571_58_4 =  2.7E+01                                  ! [atm] type: ?, ref: 789

! species:  1,5-dimethylnaphthalene
! formula:  C_{12}H_{12}
! trivial:  
! casrn:    571-61-9
! inchikey: SDDBCEWUYXVGCQ-UHFFFAOYSA-N
Hvpx_____571_61_9 =  2.0E+01                                  ! [atm] type: M, ref: 2339
Hvpx_____571_61_9 =  4.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____571_61_9 =  2.5E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____571_61_9 =  9.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____571_61_9 =  3.9E+01                                  ! [atm] type: Q, ref: 3400
Hvpx_____571_61_9 =  2.6E+01                                  ! [atm] type: Q, ref: 3655
Hvpx_____571_61_9 =  2.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____571_61_9 =  4.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____571_61_9 =  1.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____571_61_9 =  2.2E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____571_61_9 =  1.9E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____571_61_9 =  5.0E+00                                  ! [atm] type: Q, ref: 2482
Hvpx_____571_61_9 =  1.9E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____571_61_9 =  3.4E+01                                  ! [atm] type: ?, ref: 789

! species:  1,6-dimethylnaphthalene
! formula:  C_{12}H_{12}
! trivial:  
! casrn:    575-43-9
! inchikey: CBMXCNPQDUJNHT-UHFFFAOYSA-N
Hvpx_____575_43_9 =  2.3E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____575_43_9 =  1.5E+01                                  ! [atm] type: Q, ref: 3655

! species:  1,7-dimethylnaphthalene
! formula:  C_{12}H_{12}
! trivial:  
! casrn:    575-37-1
! inchikey: SPUWFVKLHHEKGV-UHFFFAOYSA-N
Hvpx_____575_37_1 =  1.4E+01                                  ! [atm] type: ?, ref: 3766

! species:  1,8-dimethylnaphthalene
! formula:  C_{12}H_{12}
! trivial:  
! casrn:    569-41-5
! inchikey: XAABPYINPXYOLM-UHFFFAOYSA-N
Hvpx_____569_41_5 =  2.1E+01                                  ! [atm] type: Q, ref: 3655

! species:  2,3-dimethylnaphthalene
! formula:  C_{12}H_{12}
! trivial:  
! casrn:    581-40-8
! inchikey: WWGUMAYGTYQSGA-UHFFFAOYSA-N
Hvpx_____581_40_8 =  3.4E+01                                  ! [atm] type: V, ref: 2611
Hvpx_____581_40_8 =  8.5E+00                                  ! [atm] type: V, ref: 2478
Hvpx_____581_40_8 =  1.2E+01                                  ! [atm] type: V, ref: 1910
Hvpx_____581_40_8 =  4.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____581_40_8 =  5.1E+01                                  ! [atm] type: C, ref: 1145
Hvpx_____581_40_8 =  2.5E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____581_40_8 =  9.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____581_40_8 =  2.2E+01                                  ! [atm] type: Q, ref: 3655
Hvpx_____581_40_8 =  1.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____581_40_8 =  4.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____581_40_8 =  1.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____581_40_8 =  2.7E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____581_40_8 =  1.2E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____581_40_8 =  4.1E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____581_40_8 =  3.5E+01                                  ! [atm] type: Q, ref: 1145
Hvpx_____581_40_8 =  5.1E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____581_40_8 =  3.3E+01                                  ! [atm] type: ?, ref: 789

! species:  2,6-dimethylnaphthalene
! formula:  C_{12}H_{12}
! trivial:  
! casrn:    581-42-0
! inchikey: YGYNBBAUIYTWBF-UHFFFAOYSA-N
Hvpx_____581_42_0 =  7.0E+01                                  ! [atm] type: V, ref: 2611
Hvpx_____581_42_0 =  8.8E+00                                  ! [atm] type: V, ref: 2478
Hvpx_____581_42_0 =  1.6E+01                                  ! [atm] type: V, ref: 1910
Hvpx_____581_42_0 =  2.8E+01                                  ! [atm] type: Q, ref: 3655
Hvpx_____581_42_0 =  2.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____581_42_0 =  1.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____581_42_0 =  2.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____581_42_0 =  1.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____581_42_0 =  2.9E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____581_42_0 =  6.6E+01                                  ! [atm] type: ?, ref: 789

! species:  2,7-dimethylnaphthalene
! formula:  C_{12}H_{12}
! trivial:  
! casrn:    582-16-1
! inchikey: LRQYSMQNJLZKPS-UHFFFAOYSA-N
Hvpx_____582_16_1 =  2.6E+01                                  ! [atm] type: Q, ref: 3655

! species:  acenaphthene
! formula:  C_{12}H_{10}
! trivial:  
! casrn:    83-32-9
! inchikey: CWRYPZZKDGJXCA-UHFFFAOYSA-N
Hvpx______83_32_9 =  1.0E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______83_32_9 =  7.6E+00 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______83_32_9 =  7.6E+00                                  ! [atm] type: L, ref: 2989
Hvpx______83_32_9 =  7.8E+00                                  ! [atm] type: L, ref: 2989
Hvpx______83_32_9 =  1.0E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______83_32_9 =  1.3E+01                                  ! [atm] type: L, ref: 479
Hvpx______83_32_9 =  2.1E+00                                  ! [atm] type: M, ref: 3014
Hvpx______83_32_9 =  1.0E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2477
Hvpx______83_32_9 =  8.8E+00                                  ! [atm] type: M, ref: 2339
Hvpx______83_32_9 =  5.0E+00                                  ! [atm] type: M, ref: 2937
Hvpx______83_32_9 =  3.5E+00                                  ! [atm] type: M, ref: 1144
Hvpx______83_32_9 =  8.6E+01                                  ! [atm] type: M, ref: 479
Hvpx______83_32_9 =  1.3E+01                                  ! [atm] type: M, ref: 2900
Hvpx______83_32_9 =  8.1E+00                                  ! [atm] type: M, ref: 490
Hvpx______83_32_9 =  6.6E+00                                  ! [atm] type: V, ref: 2611
Hvpx______83_32_9 =  6.7E+00                                  ! [atm] type: V, ref: 2338
Hvpx______83_32_9 =  6.6E+00                                  ! [atm] type: V, ref: 2339
Hvpx______83_32_9 =  4.5E+01                                  ! [atm] type: V, ref: 2439
Hvpx______83_32_9 =  5.7E+00                                  ! [atm] type: V, ref: 2478
Hvpx______83_32_9 =  6.7E+00                                  ! [atm] type: V, ref: 1910
Hvpx______83_32_9 =  4.4E+00                                  ! [atm] type: V, ref: 642
Hvpx______83_32_9 =  4.7E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx______83_32_9 =  1.6E+01 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx______83_32_9 =  1.3E+01 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______83_32_9 =  1.1E+01                                  ! [atm] type: X, ref: mccarty80
Hvpx______83_32_9 =  8.6E+00                                  ! [atm] type: C, ref: 3088
Hvpx______83_32_9 =  1.3E+01                                  ! [atm] type: C, ref: 3071
Hvpx______83_32_9 =  1.4E+01                                  ! [atm] type: C, ref: 2235
Hvpx______83_32_9 =  1.3E+01                                  ! [atm] type: C, ref: 3083
Hvpx______83_32_9 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______83_32_9 =  1.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______83_32_9 =  5.9E+00                                  ! [atm] type: Q, ref: 3627
Hvpx______83_32_9 =  1.6E+01                                  ! [atm] type: Q, ref: 3400
Hvpx______83_32_9 =  6.0E+00                                  ! [atm] type: Q, ref: 3406
Hvpx______83_32_9 =  1.9E+01                                  ! [atm] type: Q, ref: 3665
Hvpx______83_32_9 =  2.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______83_32_9 =  1.2E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______83_32_9 =  8.2E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______83_32_9 =  5.5E+00                                  ! [atm] type: Q, ref: 1162
Hvpx______83_32_9 =  5.1E+00                                  ! [atm] type: Q, ref: 2482
Hvpx______83_32_9 =  6.9E+00                                  ! [atm] type: Q, ref: 2481
Hvpx______83_32_9 =  1.0E+01                                  ! [atm] type: ?, ref: 3586

! species:  acenaphthylene
! formula:  C_{12}H_8
! trivial:  
! casrn:    208-96-8
! inchikey: HXGDTGSAIMULJN-UHFFFAOYSA-N
Hvpx_____208_96_8 =  6.4E+00 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____208_96_8 =  6.6E+00                                  ! [atm] type: L, ref: 2989
Hvpx_____208_96_8 =  5.3E+00                                  ! [atm] type: L, ref: 2989
Hvpx_____208_96_8 =  6.0E+00 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____208_96_8 =  6.9E+00 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2477
Hvpx_____208_96_8 =  6.2E+00                                  ! [atm] type: M, ref: 1144
Hvpx_____208_96_8 =  6.3E+00                                  ! [atm] type: M, ref: 2900
Hvpx_____208_96_8 =  6.3E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____208_96_8 =  4.6E+00                                  ! [atm] type: V, ref: 2611
Hvpx_____208_96_8 =  4.6E+00                                  ! [atm] type: V, ref: 2339
Hvpx_____208_96_8 =  4.5E+00 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx_____208_96_8 =  6.3E+00                                  ! [atm] type: C, ref: 3071
Hvpx_____208_96_8 =  6.5E+00                                  ! [atm] type: C, ref: 2235
Hvpx_____208_96_8 =  6.3E+00                                  ! [atm] type: C, ref: 3083
Hvpx_____208_96_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____208_96_8 =  9.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____208_96_8 =  8.7E+00                                  ! [atm] type: Q, ref: 3400
Hvpx_____208_96_8 =  5.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____208_96_8 =  2.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____208_96_8 =  6.3E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____208_96_8 =  6.3E+00                                  ! [atm] type: ?, ref: 3586

! species:  1,2,4-trimethylnaphthalene
! formula:  C_{13}H_{14}
! trivial:  
! casrn:    2717-42-2
! inchikey: JCNGSJUYPCVGAM-UHFFFAOYSA-N
Hvpx____2717_42_2 =  4.2E+01                                  ! [atm] type: Q, ref: 3400

! species:  1,3,7-trimethylnaphthalene
! formula:  C_{13}H_{14}
! trivial:  
! casrn:    2131-38-6
! inchikey: HXDVFWJRDVUZFT-UHFFFAOYSA-N
Hvpx____2131_38_6 =  9.2E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,3,8-trimethylnaphthalene
! formula:  C_{13}H_{14}
! trivial:  
! casrn:    17057-91-9
! inchikey: XYTKCJHHXQVFCK-UHFFFAOYSA-N
Hvpx___17057_91_9 =  8.2E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,4,5-trimethylnaphthalene
! formula:  C_{13}H_{14}
! trivial:  
! casrn:    2131-41-1
! inchikey: FSAWRQYDMHSDRN-UHFFFAOYSA-N
Hvpx____2131_41_1 =  3.0E+01                                  ! [atm] type: V, ref: 2611
Hvpx____2131_41_1 =  1.3E+01                                  ! [atm] type: V, ref: 2478
Hvpx____2131_41_1 =  2.4E+01                                  ! [atm] type: Q, ref: 3655

! species:  1,4,6-trimethylnaphthalene
! formula:  C_{13}H_{14}
! trivial:  
! casrn:    2131-42-2
! inchikey: VGKRZAKNKJAKDN-UHFFFAOYSA-N
Hvpx____2131_42_2 =  1.3E+01                                  ! [atm] type: ?, ref: 3766

! species:  2,3,6-trimethylnaphthalene
! formula:  C_{13}H_{14}
! trivial:  
! casrn:    829-26-5
! inchikey: UNBZRJCHIWTUHB-UHFFFAOYSA-N
Hvpx_____829_26_5 =  2.0E+01                                  ! [atm] type: ?, ref: 3766

! species:  1-(1-methylethyl)naphthalene
! formula:  C_{13}H_{14}
! trivial:  1-isopropylnaphthalene
! casrn:    6158-45-8
! inchikey: PMPBFICDXLLSRM-UHFFFAOYSA-N
Hvpx____6158_45_8 =  1.7E+01                                  ! [atm] type: Q, ref: 3655

! species:  2-(1-methylethyl)naphthalene
! formula:  C_{13}H_{14}
! trivial:  2-isopropylnaphthalene
! casrn:    2027-17-0
! inchikey: TVYVQNHYIHAJTD-UHFFFAOYSA-N
Hvpx____2027_17_0 =  4.7E+01                                  ! [atm] type: Q, ref: 3088
Hvpx____2027_17_0 =  1.8E+01                                  ! [atm] type: Q, ref: 3655

! species:  2-ethyl-6-methylnaphthalene
! formula:  C_{13}H_{14}
! trivial:  
! casrn:    7372-86-3
! inchikey: ZOYUJOHRFWIQTH-UHFFFAOYSA-N
Hvpx____7372_86_3 =  4.6E+01                                  ! [atm] type: Q, ref: 3400

! species:  2,3-benzindene
! formula:  C_{13}H_{10}
! trivial:  fluorene
! casrn:    86-73-7
! inchikey: NIHNNTQXNPWCJQ-UHFFFAOYSA-N
Hvpx______86_73_7 =  4.1E+00 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______86_73_7 =  5.1E+00                                  ! [atm] type: L, ref: 2989
Hvpx______86_73_7 =  4.9E+00                                  ! [atm] type: L, ref: 2989
Hvpx______86_73_7 =  5.2E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______86_73_7 =  4.6E+00                                  ! [atm] type: L, ref: 479
Hvpx______86_73_7 =  1.7E+00                                  ! [atm] type: M, ref: 3014
Hvpx______86_73_7 =  5.4E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2477
Hvpx______86_73_7 =  6.9E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2914
Hvpx______86_73_7 =  3.6E+00                                  ! [atm] type: M, ref: 981
Hvpx______86_73_7 =  5.3E+00                                  ! [atm] type: M, ref: 2339
Hvpx______86_73_7 =  3.5E+00                                  ! [atm] type: M, ref: 1144
Hvpx______86_73_7 =  5.5E+00                                  ! [atm] type: M, ref: 479
Hvpx______86_73_7 =  6.5E+00                                  ! [atm] type: M, ref: 2900
Hvpx______86_73_7 =  4.3E+00                                  ! [atm] type: V, ref: 2611
Hvpx______86_73_7 =  4.3E+00                                  ! [atm] type: V, ref: 2338
Hvpx______86_73_7 =  3.2E+00                                  ! [atm] type: V, ref: 981
Hvpx______86_73_7 =  4.3E+00                                  ! [atm] type: V, ref: 2339
Hvpx______86_73_7 =  3.6E+01                                  ! [atm] type: V, ref: 2439
Hvpx______86_73_7 =  4.8E+00                                  ! [atm] type: V, ref: 2478
Hvpx______86_73_7 =  4.0E+00                                  ! [atm] type: V, ref: 1910
Hvpx______86_73_7 =  4.3E+00 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx______86_73_7 =  2.4E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx______86_73_7 =  6.5E+00 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______86_73_7 =  1.2E+01                                  ! [atm] type: X, ref: mccarty80
Hvpx______86_73_7 =  5.5E+00                                  ! [atm] type: C, ref: 3088
Hvpx______86_73_7 =  6.5E+00                                  ! [atm] type: C, ref: 3071
Hvpx______86_73_7 =  6.5E+00                                  ! [atm] type: C, ref: 2235
Hvpx______86_73_7 =  6.5E+00                                  ! [atm] type: C, ref: 3083
Hvpx______86_73_7 =  1.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______86_73_7 =  9.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______86_73_7 =  4.8E+00                                  ! [atm] type: Q, ref: 3627
Hvpx______86_73_7 =  5.5E+00                                  ! [atm] type: Q, ref: 3400
Hvpx______86_73_7 =  6.1E+00                                  ! [atm] type: Q, ref: 3665
Hvpx______86_73_7 =  5.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______86_73_7 =  1.3E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______86_73_7 =  4.7E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______86_73_7 =  1.0E+01                                  ! [atm] type: Q, ref: 2543
Hvpx______86_73_7 =  2.8E+00                                  ! [atm] type: Q, ref: 2482
Hvpx______86_73_7 =  5.3E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______86_73_7 =  4.7E+00                                  ! [atm] type: ?, ref: 1500

! species:  1-methyl-9H-fluorene
! formula:  C_{14}H_{12}
! trivial:  
! casrn:    1730-37-6
! inchikey: GKEUODMJRFDLJY-UHFFFAOYSA-N
Hvpx____1730_37_6 =  3.6E+00                                  ! [atm] type: V, ref: 3586
Hvpx____1730_37_6 =  1.9E+01                                  ! [atm] type: Q, ref: 3586

! species:  2-methyl-9H-fluorene
! formula:  C_{14}H_{12}
! trivial:  
! casrn:    1430-97-3
! inchikey: RKJHJMAZNPASHY-UHFFFAOYSA-N
Hvpx____1430_97_3 =  6.4E+00                                  ! [atm] type: Q, ref: 3400

! species:  9-methyl-9H-fluorene
! formula:  C_{14}H_{12}
! trivial:  
! casrn:    2523-37-7
! inchikey: ZVEJRZRAUYJYCO-UHFFFAOYSA-N
Hvpx____2523_37_7 =  6.0E+00                                  ! [atm] type: Q, ref: 3400

! species:  1,2,5,6-tetramethylnaphthalene
! formula:  C_{14}H_{16}
! trivial:  
! casrn:    2131-43-3
! inchikey: ONIJFQFZCKJNDH-UHFFFAOYSA-N
Hvpx____2131_43_3 =  4.1E+01                                  ! [atm] type: Q, ref: 3400

! species:  1,4,6,7-tetramethylnaphthalene
! formula:  C_{14}H_{16}
! trivial:  
! casrn:    13764-18-6
! inchikey: VPSPONOBLZCLIU-UHFFFAOYSA-N
Hvpx___13764_18_6 =  6.3E+00                                  ! [atm] type: ?, ref: 3766

! species:  1-methyl-7-(1-methylethyl)-naphthalene
! formula:  C_{14}H_{16}
! trivial:  
! casrn:    490-65-3
! inchikey: UZVVHZJKXPCUQU-UHFFFAOYSA-N
Hvpx_____490_65_3 =  4.7E+01                                  ! [atm] type: Q, ref: 3400

! species:  ($E$)-stilbene
! formula:  C_{14}H_{12}
! trivial:  {\it trans}-1,2-diphenylethene
! casrn:    103-30-0
! inchikey: PJANXHGTPQOBST-VAWYXSNFSA-N
Hvpx_____103_30_0 =  4.0E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____103_30_0 =  4.0E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____103_30_0 =  2.2E+01                                  ! [atm] type: V, ref: 2611
Hvpx_____103_30_0 =  2.2E+01                                  ! [atm] type: X, ref: 634
Hvpx_____103_30_0 =  2.2E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____103_30_0 =  5.1E+00                                  ! [atm] type: Q, ref: 3627

! species:  phenanthrene
! formula:  C_{14}H_{10}
! trivial:  
! casrn:    85-01-8
! inchikey: YNPNZTXNASCQKK-UHFFFAOYSA-N
Hvpx______85_01_8 =  2.5E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______85_01_8 =  1.6E+00 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______85_01_8 =  2.4E+00                                  ! [atm] type: L, ref: 2989
Hvpx______85_01_8 =  2.4E+00                                  ! [atm] type: L, ref: 2989
Hvpx______85_01_8 =  2.4E+00 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______85_01_8 =  2.2E+00                                  ! [atm] type: L, ref: 479
Hvpx______85_01_8 =  3.1E+00                                  ! [atm] type: M, ref: 3014
Hvpx______85_01_8 =  2.0E+00 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2819
Hvpx______85_01_8 =  2.3E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2477
Hvpx______85_01_8 =  3.4E+00 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2914
Hvpx______85_01_8 =  1.6E+00                                  ! [atm] type: M, ref: 981
Hvpx______85_01_8 =  2.0E+00                                  ! [atm] type: M, ref: 2339
Hvpx______85_01_8 =  2.6E+00 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 1597
Hvpx______85_01_8 =  2.2E+00                                  ! [atm] type: M, ref: 2937
Hvpx______85_01_8 =  1.3E+00                                  ! [atm] type: M, ref: 1144
Hvpx______85_01_8 =  2.0E+00                                  ! [atm] type: M, ref: 479
Hvpx______85_01_8 =  2.2E+00                                  ! [atm] type: M, ref: 490
Hvpx______85_01_8 =  3.0E+00                                  ! [atm] type: M, ref: 2459
Hvpx______85_01_8 =  1.8E+00                                  ! [atm] type: V, ref: 2611
Hvpx______85_01_8 =  1.7E+00                                  ! [atm] type: V, ref: 2338
Hvpx______85_01_8 =  1.4E+00                                  ! [atm] type: V, ref: 981
Hvpx______85_01_8 =  1.8E+00                                  ! [atm] type: V, ref: 2339
Hvpx______85_01_8 =  1.7E+01                                  ! [atm] type: V, ref: 2439
Hvpx______85_01_8 =  2.0E+00                                  ! [atm] type: V, ref: 2478
Hvpx______85_01_8 =  1.7E+00                                  ! [atm] type: V, ref: 1910
Hvpx______85_01_8 =  2.7E+00                                  ! [atm] type: V, ref: 2459
Hvpx______85_01_8 =  1.4E+00                                  ! [atm] type: V, ref: 642
Hvpx______85_01_8 =  1.9E+00 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx______85_01_8 =  5.8E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx______85_01_8 =  6.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______85_01_8 =  6.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______85_01_8 =  5.8E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______85_01_8 =  7.2E+00                                  ! [atm] type: X, ref: mccarty80
Hvpx______85_01_8 =  2.2E+00                                  ! [atm] type: C, ref: 3071
Hvpx______85_01_8 =  2.2E+00                                  ! [atm] type: C, ref: 2235
Hvpx______85_01_8 =  2.2E+00                                  ! [atm] type: Q, ref: 3682
Hvpx______85_01_8 =  1.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______85_01_8 =  6.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______85_01_8 =  2.6E+00                                  ! [atm] type: Q, ref: 3400
Hvpx______85_01_8 =  7.6E+00                                  ! [atm] type: Q, ref: 3579
Hvpx______85_01_8 =  3.2E+00                                  ! [atm] type: Q, ref: 3665
Hvpx______85_01_8 =  2.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______85_01_8 =  8.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______85_01_8 =  2.1E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______85_01_8 =  5.9E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______85_01_8 =  1.1E+00                                  ! [atm] type: Q, ref: 2482
Hvpx______85_01_8 =  2.1E+00                                  ! [atm] type: Q, ref: 2481
Hvpx______85_01_8 =  2.3E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______85_01_8 =  2.0E+00                                  ! [atm] type: ?, ref: 1500

! species:  9,10-dihydrophenanthrene
! formula:  C_{14}H_{12}
! trivial:  
! casrn:    776-35-2
! inchikey: XXPBFNVKTVJZKF-UHFFFAOYSA-N
Hvpx_____776_35_2 =  4.7E+00 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2489
Hvpx_____776_35_2 =  1.7E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____776_35_2 =  9.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____776_35_2 =  6.1E+00                                  ! [atm] type: Q, ref: 3665
Hvpx_____776_35_2 =  1.3E+01                                  ! [atm] type: Q, ref: 2521

! species:  anthracene
! formula:  C_{14}H_{10}
! trivial:  
! casrn:    120-12-7
! inchikey: MWPLVEDNUUSJAV-UHFFFAOYSA-N
Hvpx_____120_12_7 =  3.0E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____120_12_7 =  1.7E+00 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____120_12_7 =  2.8E+00                                  ! [atm] type: L, ref: 2989
Hvpx_____120_12_7 =  2.8E+00                                  ! [atm] type: L, ref: 2989
Hvpx_____120_12_7 =  3.1E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____120_12_7 =  3.3E+00                                  ! [atm] type: L, ref: 479
Hvpx_____120_12_7 =  3.5E+00                                  ! [atm] type: M, ref: 3014
Hvpx_____120_12_7 =  2.4E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2489
Hvpx_____120_12_7 =  3.1E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2477
Hvpx_____120_12_7 =  3.6E+00 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2914
Hvpx_____120_12_7 =  4.2E+00                                  ! [atm] type: M, ref: 2339
Hvpx_____120_12_7 =  2.7E+00 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1597
Hvpx_____120_12_7 =  4.8E+00                                  ! [atm] type: M, ref: 2937
Hvpx_____120_12_7 =  1.1E+00                                  ! [atm] type: M, ref: 1144
Hvpx_____120_12_7 =  2.0E+00                                  ! [atm] type: M, ref: 2537
Hvpx_____120_12_7 =  4.0E+01                                  ! [atm] type: M, ref: 479
Hvpx_____120_12_7 =  3.6E+00                                  ! [atm] type: M, ref: 2459
Hvpx_____120_12_7 =  2.2E+00                                  ! [atm] type: V, ref: 2611
Hvpx_____120_12_7 =  2.2E+00                                  ! [atm] type: V, ref: 2338
Hvpx_____120_12_7 =  2.2E+00                                  ! [atm] type: V, ref: 2339
Hvpx_____120_12_7 =  1.8E+01                                  ! [atm] type: V, ref: 2439
Hvpx_____120_12_7 =  9.0E-01                                  ! [atm] type: V, ref: 2478
Hvpx_____120_12_7 =  1.1E+00                                  ! [atm] type: V, ref: 1910
Hvpx_____120_12_7 =  1.6E+01                                  ! [atm] type: V, ref: 2459
Hvpx_____120_12_7 =  9.8E-01                                  ! [atm] type: V, ref: 642
Hvpx_____120_12_7 =  2.1E-02 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx_____120_12_7 =  1.2E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx_____120_12_7 =  1.6E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____120_12_7 =  7.7E+01                                  ! [atm] type: X, ref: mccarty80
Hvpx_____120_12_7 =  4.8E+00                                  ! [atm] type: C, ref: 3071
Hvpx_____120_12_7 =  1.5E+01                                  ! [atm] type: C, ref: 2235
Hvpx_____120_12_7 =  5.5E+00                                  ! [atm] type: C, ref: 2236
Hvpx_____120_12_7 =  1.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____120_12_7 =  6.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____120_12_7 =  2.8E+00                                  ! [atm] type: Q, ref: 3400
Hvpx_____120_12_7 =  3.7E+00                                  ! [atm] type: Q, ref: 3665
Hvpx_____120_12_7 =  1.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____120_12_7 =  1.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____120_12_7 =  3.2E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____120_12_7 =  7.8E-01                                  ! [atm] type: Q, ref: 731
Hvpx_____120_12_7 =  6.0E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____120_12_7 =  6.0E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____120_12_7 =  3.1E+00                                  ! [atm] type: ?, ref: 3586

! species:  9,10-dihydroanthracene
! formula:  C_{14}H_{12}
! trivial:  
! casrn:    613-31-0
! inchikey: WPDAVTSOEQEGMS-UHFFFAOYSA-N
Hvpx_____613_31_0 =  3.6E+00                                  ! [atm] type: Q, ref: 3665

! species:  2,3-dihydro-1,1,3,3,5-pentamethyl-1H-indene
! formula:  C_{14}H_{20}
! trivial:  
! casrn:    81-03-8
! inchikey: NNXHDILUOAXSPU-UHFFFAOYSA-N
Hvpx______81_03_8 =  7.3E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______81_03_8 =  2.8E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______81_03_8 =  2.6E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______81_03_8 =  1.4E+03                                  ! [atm] type: Q, ref: 2995

! species:  1-methylanthracene
! formula:  C_{15}H_{12}
! trivial:  
! casrn:    610-48-0
! inchikey: KZNJSFHJUQDYHE-UHFFFAOYSA-N
Hvpx_____610_48_0 =  3.2E+00                                  ! [atm] type: Q, ref: 3400

! species:  2-methylanthracene
! formula:  C_{15}H_{12}
! trivial:  
! casrn:    613-12-7
! inchikey: GYMFBYTZOGMSQJ-UHFFFAOYSA-N
Hvpx_____613_12_7 =  3.5E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____613_12_7 =  1.2E+01                                  ! [atm] type: Q, ref: 3586

! species:  9-methylanthracene
! formula:  C_{15}H_{12}
! trivial:  
! casrn:    779-02-2
! inchikey: CPGPAVAKSZHMBP-UHFFFAOYSA-N
Hvpx_____779_02_2 =  2.1E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____779_02_2 =  9.0E-01                                  ! [atm] type: V, ref: 2611
Hvpx_____779_02_2 =  5.8E+01                                  ! [atm] type: V, ref: 2478
Hvpx_____779_02_2 =  1.2E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____779_02_2 =  2.9E+00                                  ! [atm] type: Q, ref: 3400
Hvpx_____779_02_2 =  1.3E+00                                  ! [atm] type: Q, ref: 2521

! species:  9-methyl-phenanthrene
! formula:  C_{15}H_{12}
! trivial:  
! casrn:    883-20-5
! inchikey: DALBHIYZSZZWBS-UHFFFAOYSA-N
Hvpx_____883_20_5 =  2.9E+00                                  ! [atm] type: Q, ref: 3400

! species:  9-ethylfluorene
! formula:  C_{15}H_{14}
! trivial:  
! casrn:    2294-82-8
! inchikey: QBBCCEYJCKGWIK-UHFFFAOYSA-N
Hvpx____2294_82_8 =  7.4E+00                                  ! [atm] type: Q, ref: 3400

! species:  1,7-dimethylfluorene
! formula:  C_{15}H_{14}
! trivial:  
! casrn:    442-66-0
! inchikey: NHPVHXMCRWRSNW-UHFFFAOYSA-N
Hvpx_____442_66_0 =  6.0E+00                                  ! [atm] type: Q, ref: 3400

! species:  1-methylphenanthrene
! formula:  C_{15}H_{12}
! trivial:  
! casrn:    832-69-9
! inchikey: DOWJXOHBNXRUOD-UHFFFAOYSA-N
Hvpx_____832_69_9 =  2.7E+00 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2477
Hvpx_____832_69_9 =  9.4E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____832_69_9 =  1.2E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____832_69_9 =  2.9E+00                                  ! [atm] type: Q, ref: 3400
Hvpx_____832_69_9 =  1.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____832_69_9 =  1.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____832_69_9 =  2.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  1,3-diisopropylnaphthalene
! formula:  C_{16}H_{20}
! trivial:  
! casrn:    57122-16-4
! inchikey: JDBFIFNXALGSOF-UHFFFAOYSA-N
Hvpx___57122_16_4 =  3.4E+01                                  ! [atm] type: Q, ref: 3655

! species:  1,5-diisopropylnaphthalene
! formula:  C_{16}H_{20}
! trivial:  
! casrn:    27351-96-8
! inchikey: GFZWCYSEPXDDRI-UHFFFAOYSA-N
Hvpx___27351_96_8 =  3.5E+01                                  ! [atm] type: Q, ref: 3655

! species:  1,7-diisopropylnaphthalene
! formula:  C_{16}H_{20}
! trivial:  
! casrn:    94133-80-9
! inchikey: XNSUVOOWWSAQMZ-UHFFFAOYSA-N
Hvpx___94133_80_9 =  7.0E+01                                  ! [atm] type: ?, ref: 3766

! species:  2,6-diisopropylnaphthalene
! formula:  C_{16}H_{20}
! trivial:  
! casrn:    24157-81-1
! inchikey: GWLLTEXUIOFAFE-UHFFFAOYSA-N
Hvpx___24157_81_1 =  4.1E+01                                  ! [atm] type: Q, ref: 3655

! species:  2,7-diisopropylnaphthalene
! formula:  C_{16}H_{20}
! trivial:  
! casrn:    40458-98-8
! inchikey: YGDMAJYAQCDTNG-UHFFFAOYSA-N
Hvpx___40458_98_8 =  4.1E+01                                  ! [atm] type: Q, ref: 3655

! species:  2-ethylanthracene
! formula:  C_{16}H_{14}
! trivial:  
! casrn:    52251-71-5
! inchikey: ZXAGXLDEMUNQSH-UHFFFAOYSA-N
Hvpx___52251_71_5 =  2.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx___52251_71_5 =  1.2E+01                                  ! [atm] type: Q, ref: 3586

! species:  1,3-dimethylphenanthrene
! formula:  C_{16}H_{14}
! trivial:  
! casrn:    16664-45-2
! inchikey: UJUUQKOWULNFNG-UHFFFAOYSA-N
Hvpx___16664_45_2 =  3.2E+00                                  ! [atm] type: Q, ref: 3400

! species:  3,6-dimethylphenanthrene
! formula:  C_{16}H_{14}
! trivial:  
! casrn:    1576-67-6
! inchikey: OMIBPZBOAJFEJS-UHFFFAOYSA-N
Hvpx____1576_67_6 =  3.1E+00                                  ! [atm] type: Q, ref: 3400

! species:  2,3-dimethylanthracene
! formula:  C_{16}H_{14}
! trivial:  
! casrn:    613-06-9
! inchikey: OGVRJXPGSVLDRD-UHFFFAOYSA-N
Hvpx_____613_06_9 =  2.6E+00                                  ! [atm] type: Q, ref: 3400

! species:  9,10-dimethylanthracene
! formula:  C_{16}H_{14}
! trivial:  
! casrn:    781-43-1
! inchikey: JTGMTYWYUZDRBK-UHFFFAOYSA-N
Hvpx_____781_43_1 =  3.1E-01                                  ! [atm] type: V, ref: 2611
Hvpx_____781_43_1 =  1.6E+00                                  ! [atm] type: Q, ref: 3088
Hvpx_____781_43_1 =  3.7E+00                                  ! [atm] type: Q, ref: 3400

! species:  9-propyl-9H-fluorene
! formula:  C_{16}H_{16}
! trivial:  
! casrn:    4037-45-0
! inchikey: ZTBWLZNGULENBG-UHFFFAOYSA-N
Hvpx____4037_45_0 =  9.0E+00                                  ! [atm] type: Q, ref: 3400

! species:  pyrene
! formula:  C_{16}H_{10}
! trivial:  
! casrn:    129-00-0
! inchikey: BBEAQIROQSPTKN-UHFFFAOYSA-N
Hvpx_____129_00_0 =  9.3E-01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____129_00_0 =  5.0E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____129_00_0 =  7.3E-01                                  ! [atm] type: L, ref: 2989
Hvpx_____129_00_0 =  7.3E-01                                  ! [atm] type: L, ref: 2989
Hvpx_____129_00_0 =  8.3E-01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____129_00_0 =  6.6E-01                                  ! [atm] type: L, ref: 479
Hvpx_____129_00_0 =  1.3E+00                                  ! [atm] type: M, ref: 3014
Hvpx_____129_00_0 =  6.4E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2489
Hvpx_____129_00_0 =  2.7E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____129_00_0 =  9.3E-01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2477
Hvpx_____129_00_0 =  1.1E+00                                  ! [atm] type: M, ref: 981
Hvpx_____129_00_0 =  5.0E-01                                  ! [atm] type: M, ref: 981
Hvpx_____129_00_0 =  6.6E-01                                  ! [atm] type: M, ref: 2339
Hvpx_____129_00_0 =  6.0E-01                                  ! [atm] type: M, ref: 479
Hvpx_____129_00_0 =  1.0E+00                                  ! [atm] type: M, ref: 2459
Hvpx_____129_00_0 =  5.0E-01                                  ! [atm] type: V, ref: 2611
Hvpx_____129_00_0 =  5.0E-01                                  ! [atm] type: V, ref: 2338
Hvpx_____129_00_0 =  3.8E-01                                  ! [atm] type: V, ref: 981
Hvpx_____129_00_0 =  5.0E-01                                  ! [atm] type: V, ref: 2339
Hvpx_____129_00_0 =  1.5E+01                                  ! [atm] type: V, ref: 2439
Hvpx_____129_00_0 =  5.1E-01                                  ! [atm] type: V, ref: 2478
Hvpx_____129_00_0 =  7.2E-01                                  ! [atm] type: V, ref: 1910
Hvpx_____129_00_0 =  5.8E-01                                  ! [atm] type: V, ref: 2459
Hvpx_____129_00_0 =  2.5E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2375
Hvpx_____129_00_0 =  4.0E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx_____129_00_0 =  2.8E-01                                  ! [atm] type: C, ref: 3071
Hvpx_____129_00_0 =  3.8E+02                                  ! [atm] type: C, ref: 2235
Hvpx_____129_00_0 =  7.2E-02                                  ! [atm] type: C, ref: 2556
Hvpx_____129_00_0 =  7.0E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____129_00_0 =  1.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____129_00_0 =  4.3E-01                                  ! [atm] type: Q, ref: 3627
Hvpx_____129_00_0 =  1.2E+00                                  ! [atm] type: Q, ref: 3400
Hvpx_____129_00_0 =  1.5E+00                                  ! [atm] type: Q, ref: 3665
Hvpx_____129_00_0 =  2.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____129_00_0 =  2.4E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____129_00_0 =  6.5E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____129_00_0 =  1.0E+00                                  ! [atm] type: Q, ref: 2482
Hvpx_____129_00_0 =  6.6E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____129_00_0 =  6.0E-01                                  ! [atm] type: ?, ref: 1500

! species:  benzo[$jk$]fluorene
! formula:  C_{16}H_{10}
! trivial:  fluoranthene
! casrn:    206-44-0
! inchikey: GVEPBJHOBDJJJI-UHFFFAOYSA-N
Hvpx_____206_44_0 =  9.5E-01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____206_44_0 =  7.8E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____206_44_0 =  8.0E-01                                  ! [atm] type: L, ref: 2989
Hvpx_____206_44_0 =  7.3E-01                                  ! [atm] type: L, ref: 2989
Hvpx_____206_44_0 =  1.0E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____206_44_0 =  1.2E+02                                  ! [atm] type: L, ref: 479
Hvpx_____206_44_0 =  1.6E+00                                  ! [atm] type: M, ref: 3014
Hvpx_____206_44_0 =  1.1E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2477
Hvpx_____206_44_0 =  6.0E-01                                  ! [atm] type: M, ref: 981
Hvpx_____206_44_0 =  4.9E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1146
Hvpx_____206_44_0 =  2.8E-01 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: V, ref: 3006
Hvpx_____206_44_0 =  5.2E-01                                  ! [atm] type: V, ref: 2611
Hvpx_____206_44_0 =  5.5E-01                                  ! [atm] type: V, ref: 2338
Hvpx_____206_44_0 =  3.8E-01                                  ! [atm] type: V, ref: 981
Hvpx_____206_44_0 =  5.2E-01                                  ! [atm] type: V, ref: 2339
Hvpx_____206_44_0 =  2.6E-01                                  ! [atm] type: V, ref: 2975
Hvpx_____206_44_0 =  4.8E-01                                  ! [atm] type: V, ref: 2478
Hvpx_____206_44_0 =  1.4E+00 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx_____206_44_0 =  3.6E-01                                  ! [atm] type: C, ref: 3071
Hvpx_____206_44_0 =  5.4E-01                                  ! [atm] type: C, ref: 2235
Hvpx_____206_44_0 =  5.5E-01                                  ! [atm] type: C, ref: 2556
Hvpx_____206_44_0 =  7.0E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____206_44_0 =  1.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____206_44_0 =  4.8E-01                                  ! [atm] type: Q, ref: 3627
Hvpx_____206_44_0 =  9.5E-01                                  ! [atm] type: Q, ref: 3400
Hvpx_____206_44_0 =  1.2E+00                                  ! [atm] type: Q, ref: 3665
Hvpx_____206_44_0 =  1.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____206_44_0 =  2.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____206_44_0 =  4.9E-01                                  ! [atm] type: ?, ref: 3586

! species:  1,2,3,4-tetrahydro-1,1,3,4,4,6-hexamethylnaphthalene
! formula:  C_{16}H_{24}
! trivial:  
! casrn:    2084-69-7
! inchikey: JIVANURAWUCQIG-UHFFFAOYSA-N
Hvpx____2084_69_7 =  1.3E+03                                  ! [atm] type: Q, ref: 2995
Hvpx____2084_69_7 =  4.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____2084_69_7 =  1.7E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____2084_69_7 =  2.0E+03                                  ! [atm] type: Q, ref: 2995

! species:  [2.2]paracyclophane
! formula:  C_{16}H_{16}
! trivial:  
! casrn:    1633-22-3
! inchikey: OOLUVSIJOMLOCB-UHFFFAOYSA-N
Hvpx____1633_22_3 =  1.9E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1633_22_3 =  6.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1633_22_3 =  5.8E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1633_22_3 =  1.3E+01                                  ! [atm] type: Q, ref: 2995

! species:  benzo[$a$]fluorene
! formula:  C_{17}H_{12}
! trivial:  
! casrn:    238-84-6
! inchikey: HKMTVMBEALTRRR-UHFFFAOYSA-N
Hvpx_____238_84_6 =  1.5E+00 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2477
Hvpx_____238_84_6 =  5.2E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____238_84_6 =  2.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____238_84_6 =  1.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____238_84_6 =  1.5E+00                                  ! [atm] type: ?, ref: 3586

! species:  1-methylpyrene
! formula:  C_{17}H_{12}
! trivial:  
! casrn:    2381-21-7
! inchikey: KBSPJIWZDWBDGM-UHFFFAOYSA-N
Hvpx____2381_21_7 =  1.8E-01                                  ! [atm] type: Q, ref: 3088
Hvpx____2381_21_7 =  1.2E+00                                  ! [atm] type: Q, ref: 3400

! species:  2-methylpyrene
! formula:  C_{17}H_{12}
! trivial:  
! casrn:    3442-78-2
! inchikey: VIRFPLJXRDHVEI-UHFFFAOYSA-N
Hvpx____3442_78_2 =  1.8E-01                                  ! [atm] type: Q, ref: 3088

! species:  2-methylfluoranthene
! formula:  C_{17}H_{12}
! trivial:  
! casrn:    30997-39-8
! inchikey: VVRCMNWZFPMXQZ-UHFFFAOYSA-N
Hvpx___30997_39_8 =  1.0E+00                                  ! [atm] type: Q, ref: 3400

! species:  9-n-propylphenanthrene
! formula:  C_{17}H_{16}
! trivial:  
! casrn:    17024-03-2
! inchikey: PIWHTUVAMGYSIC-UHFFFAOYSA-N
Hvpx___17024_03_2 =  4.1E+00                                  ! [atm] type: Q, ref: 3400

! species:  1,2,6-trimethylphenanthrene
! formula:  C_{17}H_{16}
! trivial:  
! casrn:    30436-55-6
! inchikey: MYWOJODOMFBVCB-UHFFFAOYSA-N
Hvpx___30436_55_6 =  3.0E+00                                  ! [atm] type: Q, ref: 3400

! species:  9-butyl-9H-fluorene
! formula:  C_{17}H_{18}
! trivial:  
! casrn:    3952-42-9
! inchikey: RBDADLSAYYPJAN-UHFFFAOYSA-N
Hvpx____3952_42_9 =  1.1E+01                                  ! [atm] type: Q, ref: 3400

! species:  11H-benzo[$b$]fluorene
! formula:  C_{17}H_{12}
! trivial:  
! casrn:    243-17-4
! inchikey: HAPOJKSPCGLOOD-UHFFFAOYSA-N
Hvpx_____243_17_4 =  2.2E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____243_17_4 =  2.5E+00                                  ! [atm] type: Q, ref: 3586

! species:  2,7-dimethylpyrene
! formula:  C_{18}H_{14}
! trivial:  
! casrn:    15679-24-0
! inchikey: GSKHIRFMTJUBSM-UHFFFAOYSA-N
Hvpx___15679_24_0 =  1.9E-01                                  ! [atm] type: Q, ref: 3088
Hvpx___15679_24_0 =  1.4E+00                                  ! [atm] type: Q, ref: 3400

! species:  chrysene
! formula:  C_{18}H_{12}
! trivial:  
! casrn:    218-01-9
! inchikey: WDECIBYCCFPHNR-UHFFFAOYSA-N
Hvpx_____218_01_9 =  3.7E-02 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____218_01_9 =  2.4E-01                                  ! [atm] type: L, ref: 2989
Hvpx_____218_01_9 =  2.0E-01                                  ! [atm] type: L, ref: 2989
Hvpx_____218_01_9 =  2.6E-01                                  ! [atm] type: M, ref: 3014
Hvpx_____218_01_9 =  2.9E-01 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2477
Hvpx_____218_01_9 =  5.8E-02                                  ! [atm] type: M, ref: 2937
Hvpx_____218_01_9 =  5.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____218_01_9 =  3.6E-02                                  ! [atm] type: V, ref: 2611
Hvpx_____218_01_9 =  3.6E-02                                  ! [atm] type: V, ref: 2338
Hvpx_____218_01_9 =  2.4E-01                                  ! [atm] type: V, ref: 2478
Hvpx_____218_01_9 =  2.7E+00 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx_____218_01_9 =  5.8E-02                                  ! [atm] type: C, ref: 3071
Hvpx_____218_01_9 =  1.2E+02                                  ! [atm] type: C, ref: 2235
Hvpx_____218_01_9 =  8.3E-02                                  ! [atm] type: C, ref: 2556
Hvpx_____218_01_9 =  3.8E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____218_01_9 =  1.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____218_01_9 =  2.3E-01                                  ! [atm] type: Q, ref: 3400
Hvpx_____218_01_9 =  2.7E-01                                  ! [atm] type: Q, ref: 3665
Hvpx_____218_01_9 =  1.5E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____218_01_9 =  1.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____218_01_9 =  2.9E-01                                  ! [atm] type: ?, ref: 3586

! species:  naphthacene
! formula:  C_{18}H_{12}
! trivial:  2,3-benzanthracene
! casrn:    92-24-0
! inchikey: IFLREYGFSNHWGE-UHFFFAOYSA-N
Hvpx______92_24_0 =  2.7E-02                                  ! [atm] type: V, ref: 3586
Hvpx______92_24_0 =  1.5E-03                                  ! [atm] type: V, ref: 2611
Hvpx______92_24_0 =  2.2E-03                                  ! [atm] type: X, ref: 634
Hvpx______92_24_0 =  1.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______92_24_0 =  1.3E-01                                  ! [atm] type: Q, ref: 2532

! species:  triphenylene
! formula:  C_{18}H_{12}
! trivial:  benzo[$l$]phenanthrene
! casrn:    217-59-4
! inchikey: SLGBZMMZGDRARJ-UHFFFAOYSA-N
Hvpx_____217_59_4 =  8.5E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____217_59_4 =  5.5E-03                                  ! [atm] type: X, ref: 634
Hvpx_____217_59_4 =  1.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____217_59_4 =  6.3E-02                                  ! [atm] type: Q, ref: 3665
Hvpx_____217_59_4 =  1.9E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____217_59_4 =  1.2E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____217_59_4 =  1.7E-01                                  ! [atm] type: Q, ref: 2532

! species:  benz[$a$]anthracene
! formula:  C_{18}H_{12}
! trivial:  
! casrn:    56-55-3
! inchikey: DXBHBZVCASKNBY-UHFFFAOYSA-N
Hvpx______56_55_3 =  3.8E-01                                  ! [atm] type: L, ref: 2989
Hvpx______56_55_3 =  3.5E-01                                  ! [atm] type: L, ref: 2989
Hvpx______56_55_3 =  6.0E-01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______56_55_3 =  3.3E-01                                  ! [atm] type: M, ref: 3014
Hvpx______56_55_3 =  6.7E-01 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2477
Hvpx______56_55_3 =  5.5E-02                                  ! [atm] type: M, ref: 2937
Hvpx______56_55_3 =  4.4E-01                                  ! [atm] type: M, ref: 2459
Hvpx______56_55_3 =  3.2E-01                                  ! [atm] type: V, ref: 2611
Hvpx______56_55_3 =  2.3E-01                                  ! [atm] type: V, ref: 2478
Hvpx______56_55_3 =  7.3E-03                                  ! [atm] type: V, ref: 3945
Hvpx______56_55_3 =  1.4E-01                                  ! [atm] type: V, ref: 2459
Hvpx______56_55_3 =  3.5E+00 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx______56_55_3 =  6.4E-02                                  ! [atm] type: C, ref: 3071
Hvpx______56_55_3 =  5.6E-02                                  ! [atm] type: C, ref: 2235
Hvpx______56_55_3 =  6.6E-03                                  ! [atm] type: C, ref: 2556
Hvpx______56_55_3 =  3.8E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______56_55_3 =  1.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______56_55_3 =  2.5E-01                                  ! [atm] type: Q, ref: 3400
Hvpx______56_55_3 =  3.4E-01                                  ! [atm] type: Q, ref: 3665
Hvpx______56_55_3 =  1.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______56_55_3 =  1.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______56_55_3 =  9.8E-02                                  ! [atm] type: Q, ref: 2532
Hvpx______56_55_3 =  6.6E-01                                  ! [atm] type: ?, ref: 3586

! species:  4,5-dimethylpyrene
! formula:  C_{18}H_{14}
! trivial:  
! casrn:    15679-25-1
! inchikey: MCZKPUHBCIHFBZ-UHFFFAOYSA-N
Hvpx___15679_25_1 =  1.2E+00                                  ! [atm] type: Q, ref: 3400

! species:  3-ethylfluoranthene
! formula:  C_{18}H_{14}
! trivial:  
! casrn:    20496-16-6
! inchikey: JXUOLJXLPIIRTP-UHFFFAOYSA-N
Hvpx___20496_16_6 =  1.1E+00                                  ! [atm] type: Q, ref: 3400

! species:  1,2,6,9-tetramethylphenanthrene
! formula:  C_{18}H_{18}
! trivial:  
! casrn:    204256-39-3
! inchikey: XFJWRZAPBOJONX-UHFFFAOYSA-N
Hvpx__204256_39_3 =  3.4E+00                                  ! [atm] type: Q, ref: 3400

! species:  1,9-dimethyl-5-ethylphenanthrene
! formula:  C_{18}H_{18}
! trivial:  
! casrn:    UNKNOWN
! inchikey: MDZYWNWRMJIOPN-UHFFFAOYSA-N
Hvpx_MDZYWNWRMJIOPN_UHFFFAOYSA_N =  5.3E+00                                  ! [atm] type: Q, ref: 3400

! species:  1,9-dimethyl-7-ethylphenanthrene
! formula:  C_{18}H_{18}
! trivial:  
! casrn:    UNKNOWN
! inchikey: NFFCDFHAMXFVEK-UHFFFAOYSA-N
Hvpx_NFFCDFHAMXFVEK_UHFFFAOYSA_N =  4.0E+00                                  ! [atm] type: Q, ref: 3400

! species:  1,2,3,4-tetrahydro-5-(1-phenylethyl)-naphthalene
! formula:  C_{18}H_{20}
! trivial:  
! casrn:    60466-61-7
! inchikey: TXOHWLOHKUPUKO-UHFFFAOYSA-N
Hvpx___60466_61_7 =  3.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___60466_61_7 =  5.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___60466_61_7 =  2.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___60466_61_7 =  1.9E+01                                  ! [atm] type: Q, ref: 2995

! species:  4-methylchrysene
! formula:  C_{19}H_{14}
! trivial:  
! casrn:    3351-30-2
! inchikey: BLVHWJCLSMYFMT-UHFFFAOYSA-N
Hvpx____3351_30_2 =  2.9E-01                                  ! [atm] type: Q, ref: 3400

! species:  5-methylchrysene
! formula:  C_{19}H_{14}
! trivial:  
! casrn:    3697-24-3
! inchikey: GOHBXWHNJHENRX-UHFFFAOYSA-N
Hvpx____3697_24_3 =  1.1E-01                                  ! [atm] type: Q, ref: 3088

! species:  6-methylchrysene
! formula:  C_{19}H_{14}
! trivial:  
! casrn:    1705-85-7
! inchikey: ASVDRLYVNFOSCI-UHFFFAOYSA-N
Hvpx____1705_85_7 =  2.5E-01                                  ! [atm] type: Q, ref: 3400

! species:  1-propylpyrene
! formula:  C_{19}H_{16}
! trivial:  
! casrn:    42211-33-6
! inchikey: HIOZPFGGCXEPAP-UHFFFAOYSA-N
Hvpx___42211_33_6 =  1.7E+00                                  ! [atm] type: Q, ref: 3400

! species:  7-methylbenz[$a$]anthracene
! formula:  C_{19}H_{14}
! trivial:  
! casrn:    2541-69-7
! inchikey: DIIFUCUPDHMNIV-UHFFFAOYSA-N
Hvpx____2541_69_7 =  1.1E-01                                  ! [atm] type: Q, ref: 3088

! species:  10-methylbenz[$a$]anthracene
! formula:  C_{19}H_{14}
! trivial:  
! casrn:    2381-15-9
! inchikey: WUMGYHICFXGLAB-UHFFFAOYSA-N
Hvpx____2381_15_9 =  1.1E-01                                  ! [atm] type: Q, ref: 3088

! species:  12-methylbenz[$a$]anthracene
! formula:  C_{19}H_{14}
! trivial:  
! casrn:    2422-79-9
! inchikey: ACYOLKMEHHTLAB-UHFFFAOYSA-N
Hvpx____2422_79_9 =  1.1E-01                                  ! [atm] type: Q, ref: 3088

! species:  6-ethylchrysene
! formula:  C_{20}H_{16}
! trivial:  
! casrn:    2732-58-3
! inchikey: ZJSYTTGSPQNXKT-UHFFFAOYSA-N
Hvpx____2732_58_3 =  3.0E-01                                  ! [atm] type: Q, ref: 3400

! species:  3,9-dimethylbenz[$a$]anthracene
! formula:  C_{20}H_{16}
! trivial:  
! casrn:    316-51-8
! inchikey: DBPDWIZRMPUWRH-UHFFFAOYSA-N
Hvpx_____316_51_8 =  2.9E-01                                  ! [atm] type: Q, ref: 3400

! species:  1-butylpyrene
! formula:  C_{20}H_{18}
! trivial:  
! casrn:    35980-18-8
! inchikey: UFOTZLIYHMGVAV-UHFFFAOYSA-N
Hvpx___35980_18_8 =  2.0E+00                                  ! [atm] type: Q, ref: 3400

! species:  7,12-dimethyl-benz[$a$]anthracene
! formula:  C_{20}H_{16}
! trivial:  
! casrn:    57-97-6
! inchikey: ARSRBNBHOADGJU-UHFFFAOYSA-N
Hvpx______57_97_6 =  2.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx______57_97_6 =  1.1E-04                                  ! [atm] type: V, ref: 2611
Hvpx______57_97_6 =  5.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______57_97_6 =  1.1E-01                                  ! [atm] type: Q, ref: 3088
Hvpx______57_97_6 =  3.6E-01                                  ! [atm] type: Q, ref: 3400

! species:  9,10-dimethyl-benz[$a$]anthracene
! formula:  C_{20}H_{16}
! trivial:  
! casrn:    58429-99-5
! inchikey: GKVUDAZMZLMNJQ-UHFFFAOYSA-N

! species:  benzo[$b$]fluoranthene
! formula:  C_{20}H_{12}
! trivial:  
! casrn:    205-99-2
! inchikey: FTOVXSOBNPWTSH-UHFFFAOYSA-N
Hvpx_____205_99_2 =  3.6E-02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____205_99_2 =  3.6E-02                                  ! [atm] type: L, ref: 2989
Hvpx_____205_99_2 =  3.6E-02                                  ! [atm] type: L, ref: 2989
Hvpx_____205_99_2 =  3.6E-02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1146
Hvpx_____205_99_2 =  3.8E-02 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx_____205_99_2 =  6.6E-01                                  ! [atm] type: C, ref: 3071
Hvpx_____205_99_2 =  3.8E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____205_99_2 =  4.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____205_99_2 =  9.1E-02                                  ! [atm] type: Q, ref: 3400
Hvpx_____205_99_2 =  9.8E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____205_99_2 =  2.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____205_99_2 =  2.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____205_99_2 =  3.6E-02                                  ! [atm] type: ?, ref: 3586

! species:  benzo[$k$]fluoranthene
! formula:  C_{20}H_{12}
! trivial:  
! casrn:    207-08-9
! inchikey: HAXBIWFMXWRORI-UHFFFAOYSA-N
Hvpx_____207_08_9 =  3.2E-02                                  ! [atm] type: L, ref: 2989
Hvpx_____207_08_9 =  3.1E-02                                  ! [atm] type: L, ref: 2989
Hvpx_____207_08_9 =  5.2E-02                                  ! [atm] type: M, ref: 3014
Hvpx_____207_08_9 =  3.2E-02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1146
Hvpx_____207_08_9 =  6.6E-03                                  ! [atm] type: V, ref: 981
Hvpx_____207_08_9 =  8.7E-03                                  ! [atm] type: V, ref: 2339
Hvpx_____207_08_9 =  3.8E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx_____207_08_9 =  5.7E+01 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____207_08_9 =  2.2E+00                                  ! [atm] type: C, ref: 3071
Hvpx_____207_08_9 =  2.1E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____207_08_9 =  4.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____207_08_9 =  9.3E-02                                  ! [atm] type: Q, ref: 3400
Hvpx_____207_08_9 =  6.8E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____207_08_9 =  2.3E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____207_08_9 =  2.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____207_08_9 =  3.2E-02                                  ! [atm] type: ?, ref: 3586

! species:  benzo[$a$]pyrene
! formula:  C_{20}H_{12}
! trivial:  benz[$a$]pyrene
! casrn:    50-32-8
! inchikey: FMMWHPNWAFZXNH-UHFFFAOYSA-N
Hvpx______50_32_8 =  1.2E-01 * EXP(  -8500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______50_32_8 =  2.8E-02                                  ! [atm] type: L, ref: 2989
Hvpx______50_32_8 =  4.2E-02                                  ! [atm] type: L, ref: 2989
Hvpx______50_32_8 =  8.8E-02                                  ! [atm] type: M, ref: 3014
Hvpx______50_32_8 =  4.1E-02                                  ! [atm] type: M, ref: 1195
Hvpx______50_32_8 =  2.5E-02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1146
Hvpx______50_32_8 =  2.5E-02                                  ! [atm] type: V, ref: 2611
Hvpx______50_32_8 =  1.9E-02                                  ! [atm] type: V, ref: 981
Hvpx______50_32_8 =  2.5E-02                                  ! [atm] type: V, ref: 2339
Hvpx______50_32_8 =  4.3E-03                                  ! [atm] type: V, ref: 2975
Hvpx______50_32_8 =  3.1E-02                                  ! [atm] type: V, ref: 2478
Hvpx______50_32_8 =  7.3E-02                                  ! [atm] type: V, ref: 3945
Hvpx______50_32_8 =  2.8E-02                                  ! [atm] type: V, ref: 2459
Hvpx______50_32_8 =  6.7E-01 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx______50_32_8 =  3.4E+02 * EXP(   -110.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______50_32_8 =  2.7E-02                                  ! [atm] type: C, ref: 3071
Hvpx______50_32_8 =  6.6E+02                                  ! [atm] type: C, ref: 2235
Hvpx______50_32_8 =  2.1E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______50_32_8 =  4.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______50_32_8 =  1.1E-01                                  ! [atm] type: Q, ref: 3400
Hvpx______50_32_8 =  1.9E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______50_32_8 =  3.5E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______50_32_8 =  1.9E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______50_32_8 =  2.5E-02                                  ! [atm] type: ?, ref: 3586

! species:  benzo[$e$]pyrene
! formula:  C_{20}H_{12}
! trivial:  
! casrn:    192-97-2
! inchikey: TXVHTIQJNYSSKO-UHFFFAOYSA-N
Hvpx_____192_97_2 =  1.7E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____192_97_2 =  1.7E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____192_97_2 =  2.6E-02                                  ! [atm] type: V, ref: 2611
Hvpx_____192_97_2 =  2.0E-01 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx_____192_97_2 =  4.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____192_97_2 =  3.7E-02                                  ! [atm] type: Q, ref: 2532

! species:  perylene
! formula:  C_{20}H_{12}
! trivial:  dibenz[$de,kl$]anthracene
! casrn:    198-55-0
! inchikey: CSHWQDPOILHKBI-UHFFFAOYSA-N
Hvpx_____198_55_0 =  2.0E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____198_55_0 =  2.4E-01                                  ! [atm] type: V, ref: 2966
Hvpx_____198_55_0 =  2.2E+00 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx_____198_55_0 =  1.6E-03                                  ! [atm] type: X, ref: 634
Hvpx_____198_55_0 =  4.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____198_55_0 =  9.6E-02                                  ! [atm] type: Q, ref: 3400
Hvpx_____198_55_0 =  2.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____198_55_0 =  5.2E-02                                  ! [atm] type: Q, ref: 2532

! species:  1,2-benzfluoranthene
! formula:  C_{20}H_{12}
! trivial:  
! casrn:    203-33-8
! inchikey: OQDXASJSCOTNQS-UHFFFAOYSA-N
Hvpx_____203_33_8 =  8.0E-02                                  ! [atm] type: Q, ref: 2521

! species:  benzo[$j$]fluoranthene
! formula:  C_{20}H_{12}
! trivial:  
! casrn:    205-82-3
! inchikey: KHNYNFUTFKJLDD-UHFFFAOYSA-N
Hvpx_____205_82_3 =  1.1E-02                                  ! [atm] type: Q, ref: 3088

! species:  1,3,6-trimethylchrysene
! formula:  C_{21}H_{18}
! trivial:  
! casrn:    1586755-28-3
! inchikey: UGLPREDFUVNEMJ-UHFFFAOYSA-N
Hvpx_1586755_28_3 =  3.0E-01                                  ! [atm] type: Q, ref: 3400

! species:  6-propylchrysene
! formula:  C_{21}H_{18}
! trivial:  
! casrn:    6910-41-4
! inchikey: PGBSMHMYMMBHFF-UHFFFAOYSA-N
Hvpx____6910_41_4 =  3.6E-01                                  ! [atm] type: Q, ref: 3400

! species:  20-methylcholanthrene
! formula:  C_{21}H_{16}
! trivial:  
! casrn:    56-49-5
! inchikey: PPQNQXQZIWHJRB-UHFFFAOYSA-N
Hvpx______56_49_5 =  2.9E-01                                  ! [atm] type: V, ref: 3586
Hvpx______56_49_5 =  2.9E-01                                  ! [atm] type: V, ref: 3088
Hvpx______56_49_5 =  1.5E+00                                  ! [atm] type: Q, ref: 3586

! species:  6-butylchrysene
! formula:  C_{22}H_{20}
! trivial:  
! casrn:    6901-71-9
! inchikey: XJQKMLMKECCWEO-UHFFFAOYSA-N
Hvpx____6901_71_9 =  4.1E-01                                  ! [atm] type: Q, ref: 3400

! species:  dibenz[$a,h$]anthracene
! formula:  C_{22}H_{14}
! trivial:  
! casrn:    53-70-3
! inchikey: LHRCREOYAASXPZ-UHFFFAOYSA-N
Hvpx______53_70_3 =  7.8E-03                                  ! [atm] type: V, ref: 3586
Hvpx______53_70_3 =  3.0E-03 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3006
Hvpx______53_70_3 =  9.4E-05                                  ! [atm] type: V, ref: 2611
Hvpx______53_70_3 =  4.2E-03                                  ! [atm] type: V, ref: 2478
Hvpx______53_70_3 =  4.6E-01 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx______53_70_3 =  4.0E-03                                  ! [atm] type: C, ref: 3071
Hvpx______53_70_3 =  4.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______53_70_3 =  4.0E-03                                  ! [atm] type: Q, ref: 3088
Hvpx______53_70_3 =  2.1E-02                                  ! [atm] type: Q, ref: 3400
Hvpx______53_70_3 =  4.6E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______53_70_3 =  6.6E-03                                  ! [atm] type: Q, ref: 2532

! species:  indeno[1,2,3-$cd$]pyrene
! formula:  C_{22}H_{12}
! trivial:  
! casrn:    193-39-5
! inchikey: SXQBHARYMNFBPS-UHFFFAOYSA-N
Hvpx_____193_39_5 =  1.9E-02                                  ! [atm] type: L, ref: 2989
Hvpx_____193_39_5 =  2.7E-02                                  ! [atm] type: L, ref: 2989
Hvpx_____193_39_5 =  1.9E-02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1146
Hvpx_____193_39_5 =  2.2E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx_____193_39_5 =  3.8E-03                                  ! [atm] type: C, ref: 3071
Hvpx_____193_39_5 =  1.2E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____193_39_5 =  1.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____193_39_5 =  4.1E-02                                  ! [atm] type: Q, ref: 3400
Hvpx_____193_39_5 =  1.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____193_39_5 =  5.8E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____193_39_5 =  1.9E-02                                  ! [atm] type: ?, ref: 3586

! species:  benzo[$ghi$]perylene
! formula:  C_{22}H_{12}
! trivial:  
! casrn:    191-24-2
! inchikey: GYFAGKUZYNFMBN-UHFFFAOYSA-N
Hvpx_____191_24_2 =  1.8E-02                                  ! [atm] type: L, ref: 2989
Hvpx_____191_24_2 =  2.3E-02                                  ! [atm] type: L, ref: 2989
Hvpx_____191_24_2 =  1.8E-02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1146
Hvpx_____191_24_2 =  3.1E-02                                  ! [atm] type: V, ref: 981
Hvpx_____191_24_2 =  4.1E-02                                  ! [atm] type: V, ref: 2339
Hvpx_____191_24_2 =  7.9E-03                                  ! [atm] type: V, ref: 2478
Hvpx_____191_24_2 =  1.4E-01 * EXP(  -9200.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx_____191_24_2 =  4.1E-02                                  ! [atm] type: X, ref: 634
Hvpx_____191_24_2 =  3.0E-03                                  ! [atm] type: C, ref: 3071
Hvpx_____191_24_2 =  1.2E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____191_24_2 =  1.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____191_24_2 =  4.8E-02                                  ! [atm] type: Q, ref: 3400
Hvpx_____191_24_2 =  2.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____191_24_2 =  8.9E-03                                  ! [atm] type: Q, ref: 2530
Hvpx_____191_24_2 =  1.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____191_24_2 =  1.8E-02                                  ! [atm] type: ?, ref: 3586

! species:  benzo[$b$]triphenylene
! formula:  C_{22}H_{14}
! trivial:  dibenz[$a,c$]anthracene
! casrn:    215-58-7
! inchikey: RAASUWZPTOJQAY-UHFFFAOYSA-N
Hvpx_____215_58_7 =  2.9E-02 * EXP(  -8600.*(1./T-1./298.15)) ! [atm] type: V, ref: 3006
Hvpx_____215_58_7 =  1.2E-04                                  ! [atm] type: V, ref: 2611
Hvpx_____215_58_7 =  2.8E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____215_58_7 =  3.8E-03                                  ! [atm] type: Q, ref: 2532

! species:  dibenz[$a,j$]anthracene
! formula:  C_{22}H_{14}
! trivial:  
! casrn:    224-41-9
! inchikey: KLIHYVJAYWCEDM-UHFFFAOYSA-N
Hvpx_____224_41_9 =  6.3E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____224_41_9 =  6.6E-03                                  ! [atm] type: Q, ref: 2532

! species:  picene
! formula:  C_{22}H_{14}
! trivial:  
! casrn:    213-46-7
! inchikey: GBROPGWFBFCKAG-UHFFFAOYSA-N
Hvpx_____213_46_7 =  8.7E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____213_46_7 =  7.1E-03                                  ! [atm] type: Q, ref: 2532

! species:  benzo[$c$]chrysene
! formula:  C_{22}H_{14}
! trivial:  
! casrn:    194-69-4
! inchikey: YZWGEMSQAMDWEM-UHFFFAOYSA-N
Hvpx_____194_69_4 =  6.8E-03                                  ! [atm] type: Q, ref: 3088

! species:  benzo[$g$]chrysene
! formula:  C_{22}H_{14}
! trivial:  
! casrn:    196-78-1
! inchikey: JZOIZKBKSZMVRV-UHFFFAOYSA-N
Hvpx_____196_78_1 =  6.8E-03                                  ! [atm] type: Q, ref: 3088

! species:  dibenzo[$a,e$]pyrene
! formula:  C_{24}H_{14}
! trivial:  
! casrn:    192-65-4
! inchikey: KGHMWBNEMFNJFZ-UHFFFAOYSA-N
Hvpx_____192_65_4 =  7.8E-04                                  ! [atm] type: Q, ref: 3088

! species:  dibenzo[$a,h$]pyrene
! formula:  C_{24}H_{14}
! trivial:  
! casrn:    189-64-0
! inchikey: RXUSYFJGDZFVND-UHFFFAOYSA-N
Hvpx_____189_64_0 =  7.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  dibenzo[$a,i$]pyrene
! formula:  C_{24}H_{14}
! trivial:  
! casrn:    189-55-9
! inchikey: TUGYIJVAYAHHHM-UHFFFAOYSA-N
Hvpx_____189_55_9 =  7.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  coronene
! formula:  C_{24}H_{12}
! trivial:  
! casrn:    191-07-1
! inchikey: VPUGDVKSAQVFFS-UHFFFAOYSA-N

! species:  dibenz[$a,e$]aceanthrylene
! formula:  C_{24}H_{14}
! trivial:  
! casrn:    5385-75-1
! inchikey: JHOWUOKQHJHGMU-UHFFFAOYSA-N
Hvpx____5385_75_1 =  7.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  dibenzo[$b,k$]chrysene
! formula:  C_{26}H_{16}
! trivial:  
! casrn:    217-54-9
! inchikey: DHCSBRKYHMINPB-UHFFFAOYSA-N
Hvpx_____217_54_9 =  4.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  carbon monoxide
! formula:  CO
! trivial:  
! casrn:    630-08-0
! inchikey: UGFAIRIUMAVXCW-UHFFFAOYSA-N
Hvpx_____630_08_0 =  5.6E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____630_08_0 =  6.8E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____630_08_0 =  5.6E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____630_08_0 =  6.8E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____630_08_0 =  5.6E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx_____630_08_0 =  5.6E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____630_08_0 =  5.6E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____630_08_0 =  5.6E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx_____630_08_0 =  5.8E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____630_08_0 =  5.6E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3529
Hvpx_____630_08_0 =  7.8E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3777
Hvpx_____630_08_0 =  6.9E+03                                  ! [atm] type: M, ref: 505
Hvpx_____630_08_0 =  6.6E+04                                  ! [atm] type: M, ref: 3787
Hvpx_____630_08_0 =  6.9E+04 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1911
Hvpx_____630_08_0 =  5.8E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2834
Hvpx_____630_08_0 =  5.7E+04 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3717
Hvpx_____630_08_0 =  9.1E+04                                  ! [atm] type: T, ref: 766
Hvpx_____630_08_0 =  5.4E+04                                  ! [atm] type: Q, ref: 3728
Hvpx_____630_08_0 =  6.3E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____630_08_0 =  5.8E+04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx_____630_08_0 =  6.5E+04                                  ! [atm] type: ?, ref: 3614
Hvpx_____630_08_0 =  5.8E+04 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx_____630_08_0 =  6.3E+04                                  ! [atm] type: ?, ref: 789

! species:  carbon dioxide
! formula:  CO_2
! trivial:  
! casrn:    124-38-9
! inchikey: CURLTUGMZLYLDI-UHFFFAOYSA-N
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____124_38_9 =  2.0E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____124_38_9 =  2.0E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2105
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 631
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1153
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3085
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 540
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1779
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 921
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3568
Hvpx_____124_38_9 =  2.3E+03                                  ! [atm] type: M, ref: 3787
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3783
Hvpx_____124_38_9 =  1.6E+03                                  ! [atm] type: M, ref: 3702
Hvpx_____124_38_9 =  1.7E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3709
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3711
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2841
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3717
Hvpx_____124_38_9 =  8.4E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: R, ref: 1137
Hvpx_____124_38_9 =  1.8E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: T, ref: 87
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: T, ref: 3540
Hvpx_____124_38_9 =  1.6E+03                                  ! [atm] type: X, ref: perry73
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: C, ref: 31
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: C, ref: 34
Hvpx_____124_38_9 =  1.4E+03                                  ! [atm] type: C, ref: 3705
Hvpx_____124_38_9 =  2.3E+03                                  ! [atm] type: Q, ref: 3728
Hvpx_____124_38_9 =  1.4E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____124_38_9 =  1.2E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx_____124_38_9 =  2.1E+03                                  ! [atm] type: ?, ref: 3614
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: ?, ref: 379
Hvpx_____124_38_9 =  1.2E+03                                  ! [atm] type: ?, ref: 789
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: ?, ref: 523
Hvpx_____124_38_9 =  1.6E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: ?, ref: 103

! species:  carbon suboxide
! formula:  C_3O_2
! trivial:  
! casrn:    504-64-3
! inchikey: GNEVIACKFGQMHB-UHFFFAOYSA-N
Hvpx_____504_64_3 =  5.1E+01                                  ! [atm] type: M, ref: 3248

! species:  methanol
! formula:  CH_3OH
! trivial:  
! casrn:    67-56-1
! inchikey: OKKJLVBELUTLKV-UHFFFAOYSA-N
Hvpx______67_56_1 =  2.7E-01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______67_56_1 =  2.7E-01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______67_56_1 =  2.7E-01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______67_56_1 =  2.7E-01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______67_56_1 =  2.6E-01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1831
Hvpx______67_56_1 =  2.5E-01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______67_56_1 =  2.7E-01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3065
Hvpx______67_56_1 =  3.1E-01 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______67_56_1 =  2.6E-01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______67_56_1 =  1.5E+01                                  ! [atm] type: M, ref: 3064
Hvpx______67_56_1 =  2.5E-01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3526
Hvpx______67_56_1 =  2.6E-01                                  ! [atm] type: M, ref: 2925
Hvpx______67_56_1 =  7.0E-01                                  ! [atm] type: M, ref: 2955
Hvpx______67_56_1 =  2.5E-01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3694
Hvpx______67_56_1 =  2.7E-01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3132
Hvpx______67_56_1 =  2.1E-01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1574
Hvpx______67_56_1 =  2.8E-01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2961
Hvpx______67_56_1 =  3.4E-01                                  ! [atm] type: M, ref: 1195
Hvpx______67_56_1 =  2.6E-01                                  ! [atm] type: M, ref: 3657
Hvpx______67_56_1 =  4.2E-01                                  ! [atm] type: M, ref: 3631
Hvpx______67_56_1 =  2.4E-01                                  ! [atm] type: M, ref: 2457
Hvpx______67_56_1 =  2.1E-01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3648
Hvpx______67_56_1 =  2.5E-01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 483
Hvpx______67_56_1 =  2.7E-01                                  ! [atm] type: M, ref: 3635
Hvpx______67_56_1 =  4.1E-02                                  ! [atm] type: M, ref: 3669
Hvpx______67_56_1 =  2.5E-01                                  ! [atm] type: M, ref: 2218
Hvpx______67_56_1 =  2.4E-01                                  ! [atm] type: M, ref: 496
Hvpx______67_56_1 =  2.4E-01                                  ! [atm] type: M, ref: 712
Hvpx______67_56_1 =  7.2E+00                                  ! [atm] type: V, ref: 2580
Hvpx______67_56_1 =  3.0E-01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: V, ref: 3693
Hvpx______67_56_1 =  2.9E-01                                  ! [atm] type: V, ref: 2439
Hvpx______67_56_1 =  1.9E-01                                  ! [atm] type: V, ref: 2966
Hvpx______67_56_1 =  2.5E-01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: R, ref: 2222
Hvpx______67_56_1 =  2.6E-01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: T, ref: 3674
Hvpx______67_56_1 =  3.8E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______67_56_1 =  3.7E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______67_56_1 =  3.5E-01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: X, ref: 859
Hvpx______67_56_1 =  2.5E-01                                  ! [atm] type: X, ref: gaffney84
Hvpx______67_56_1 =  2.6E-01                                  ! [atm] type: X, ref: timmermans60
Hvpx______67_56_1 =  3.3E-01                                  ! [atm] type: Q, ref: 3682
Hvpx______67_56_1 =  2.6E-01                                  ! [atm] type: Q, ref: 3728
Hvpx______67_56_1 =  1.1E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______67_56_1 =  2.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______67_56_1 =  1.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______67_56_1 =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______67_56_1 =  8.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______67_56_1 =  2.6E-01                                  ! [atm] type: Q, ref: 3689
Hvpx______67_56_1 =  2.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______67_56_1 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______67_56_1 =  2.2E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______67_56_1 =  2.1E+00                                  ! [atm] type: Q, ref: 3579
Hvpx______67_56_1 =  2.8E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______67_56_1 =  1.9E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______67_56_1 =  2.5E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______67_56_1 =  4.9E-01                                  ! [atm] type: Q, ref: 3731
Hvpx______67_56_1 =  2.1E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______67_56_1 =  3.4E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______67_56_1 =  3.7E-01                                  ! [atm] type: Q, ref: 1115
Hvpx______67_56_1 =  2.7E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______67_56_1 =  3.0E-01                                  ! [atm] type: Q, ref: 2482
Hvpx______67_56_1 =  2.3E-01                                  ! [atm] type: Q, ref: 2531
Hvpx______67_56_1 =  2.5E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______67_56_1 =  2.9E-01                                  ! [atm] type: ?, ref: 2440
Hvpx______67_56_1 =  5.0E-01                                  ! [atm] type: ?, ref: 3614
Hvpx______67_56_1 =  3.9E-01                                  ! [atm] type: ?, ref: 789
Hvpx______67_56_1 =  2.5E-01                                  ! [atm] type: ?, ref: 1500

! species:  ethanol
! formula:  C_2H_5OH
! trivial:  
! casrn:    64-17-5
! inchikey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Hvpx______64_17_5 =  2.9E-01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______64_17_5 =  2.9E-01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______64_17_5 =  3.0E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______64_17_5 =  2.9E-01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______64_17_5 =  2.9E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1831
Hvpx______64_17_5 =  2.8E-01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______64_17_5 =  3.0E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3065
Hvpx______64_17_5 =  3.2E-01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______64_17_5 =  2.9E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______64_17_5 =  2.9E-01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3659
Hvpx______64_17_5 =  3.0E-01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3271
Hvpx______64_17_5 =  2.5E-01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3526
Hvpx______64_17_5 =  3.0E-01                                  ! [atm] type: M, ref: 2925
Hvpx______64_17_5 =  2.9E-01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3112
Hvpx______64_17_5 =  2.9E-01                                  ! [atm] type: M, ref: 1937
Hvpx______64_17_5 =  4.8E-01                                  ! [atm] type: M, ref: 1516
Hvpx______64_17_5 =  3.1E-01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2961
Hvpx______64_17_5 =  4.1E-01                                  ! [atm] type: M, ref: 1195
Hvpx______64_17_5 =  5.3E-01                                  ! [atm] type: M, ref: 3402
Hvpx______64_17_5 =  2.9E-01                                  ! [atm] type: M, ref: 3657
Hvpx______64_17_5 =  6.6E-01                                  ! [atm] type: M, ref: 3631
Hvpx______64_17_5 =  2.9E-01                                  ! [atm] type: M, ref: 2457
Hvpx______64_17_5 =  1.8E-01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3648
Hvpx______64_17_5 =  2.9E-01                                  ! [atm] type: M, ref: 2449
Hvpx______64_17_5 =  2.9E-01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: M, ref: 483
Hvpx______64_17_5 =  2.8E-01                                  ! [atm] type: M, ref: 3635
Hvpx______64_17_5 =  2.9E-01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3661
Hvpx______64_17_5 =  8.8E-02                                  ! [atm] type: M, ref: 3669
Hvpx______64_17_5 =  2.9E-01                                  ! [atm] type: M, ref: 2218
Hvpx______64_17_5 =  2.4E-01                                  ! [atm] type: M, ref: 792
Hvpx______64_17_5 =  2.5E-01                                  ! [atm] type: M, ref: 496
Hvpx______64_17_5 =  2.9E-01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3660
Hvpx______64_17_5 =  2.9E-01                                  ! [atm] type: M, ref: 712
Hvpx______64_17_5 =  1.2E+01                                  ! [atm] type: V, ref: 2580
Hvpx______64_17_5 =  3.1E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 3693
Hvpx______64_17_5 =  4.3E-01                                  ! [atm] type: V, ref: 2439
Hvpx______64_17_5 =  2.9E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: T, ref: 3674
Hvpx______64_17_5 =  4.0E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______64_17_5 =  3.8E-01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: X, ref: 859
Hvpx______64_17_5 =  2.8E-01                                  ! [atm] type: X, ref: gaffney84
Hvpx______64_17_5 =  3.5E-01                                  ! [atm] type: X, ref: timmermans60
Hvpx______64_17_5 =  3.3E-01                                  ! [atm] type: Q, ref: 3728
Hvpx______64_17_5 =  8.2E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______64_17_5 =  4.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______64_17_5 =  1.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______64_17_5 =  2.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______64_17_5 =  2.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______64_17_5 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______64_17_5 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______64_17_5 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______64_17_5 =  4.4E-01                                  ! [atm] type: Q, ref: 3579
Hvpx______64_17_5 =  5.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______64_17_5 =  3.0E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______64_17_5 =  2.8E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______64_17_5 =  3.9E-01                                  ! [atm] type: Q, ref: 3731
Hvpx______64_17_5 =  3.8E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______64_17_5 =  4.5E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______64_17_5 =  4.1E-01                                  ! [atm] type: Q, ref: 1115
Hvpx______64_17_5 =  3.8E-01                                  ! [atm] type: Q, ref: 731
Hvpx______64_17_5 =  3.8E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______64_17_5 =  3.5E-01                                  ! [atm] type: Q, ref: 2482
Hvpx______64_17_5 =  2.8E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______64_17_5 =  2.8E-01                                  ! [atm] type: ?, ref: 3393
Hvpx______64_17_5 =  4.5E-01                                  ! [atm] type: ?, ref: 2440
Hvpx______64_17_5 =  6.6E-01                                  ! [atm] type: ?, ref: 3614
Hvpx______64_17_5 =  4.5E-01                                  ! [atm] type: ?, ref: 789
Hvpx______64_17_5 =  2.9E-01                                  ! [atm] type: ?, ref: 1500

! species:  1-propanol
! formula:  C_3H_7OH
! trivial:  
! casrn:    71-23-8
! inchikey: BDERNNFJNOPAEC-UHFFFAOYSA-N
Hvpx______71_23_8 =  3.9E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______71_23_8 =  3.9E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______71_23_8 =  3.6E-01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______71_23_8 =  3.9E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______71_23_8 =  4.3E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______71_23_8 =  3.9E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3065
Hvpx______71_23_8 =  3.9E-01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______71_23_8 =  3.7E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______71_23_8 =  3.8E-01                                  ! [atm] type: M, ref: 2925
Hvpx______71_23_8 =  4.4E-01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3112
Hvpx______71_23_8 =  3.7E-01                                  ! [atm] type: M, ref: 1937
Hvpx______71_23_8 =  1.7E+00                                  ! [atm] type: M, ref: 3643
Hvpx______71_23_8 =  1.7E+00                                  ! [atm] type: M, ref: 3670
Hvpx______71_23_8 =  8.5E-01                                  ! [atm] type: M, ref: 3611
Hvpx______71_23_8 =  4.4E-01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2961
Hvpx______71_23_8 =  2.0E-01                                  ! [atm] type: M, ref: 1195
Hvpx______71_23_8 =  3.7E-01                                  ! [atm] type: M, ref: 3657
Hvpx______71_23_8 =  7.6E-01                                  ! [atm] type: M, ref: 3631
Hvpx______71_23_8 =  3.9E-01                                  ! [atm] type: M, ref: 2457
Hvpx______71_23_8 =  4.2E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 483
Hvpx______71_23_8 =  3.0E-01                                  ! [atm] type: M, ref: 3635
Hvpx______71_23_8 =  1.5E-01                                  ! [atm] type: M, ref: 3669
Hvpx______71_23_8 =  3.7E-01                                  ! [atm] type: M, ref: 2218
Hvpx______71_23_8 =  3.4E-01                                  ! [atm] type: M, ref: 496
Hvpx______71_23_8 =  3.8E-01                                  ! [atm] type: M, ref: 712
Hvpx______71_23_8 =  1.8E+01                                  ! [atm] type: V, ref: 2580
Hvpx______71_23_8 =  3.1E-01 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: V, ref: 3693
Hvpx______71_23_8 =  6.8E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx______71_23_8 =  3.7E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: T, ref: 3674
Hvpx______71_23_8 =  4.4E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______71_23_8 =  4.5E-01                                  ! [atm] type: Q, ref: 3682
Hvpx______71_23_8 =  3.6E-01                                  ! [atm] type: Q, ref: 3728
Hvpx______71_23_8 =  6.0E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______71_23_8 =  4.4E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______71_23_8 =  2.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______71_23_8 =  4.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______71_23_8 =  4.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______71_23_8 =  4.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______71_23_8 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______71_23_8 =  4.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______71_23_8 =  7.8E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______71_23_8 =  4.9E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______71_23_8 =  4.5E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______71_23_8 =  4.9E-01                                  ! [atm] type: Q, ref: 3731
Hvpx______71_23_8 =  4.7E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______71_23_8 =  3.2E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______71_23_8 =  4.4E-01                                  ! [atm] type: Q, ref: 1115
Hvpx______71_23_8 =  5.1E-01                                  ! [atm] type: Q, ref: 731
Hvpx______71_23_8 =  4.9E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______71_23_8 =  4.4E-01                                  ! [atm] type: Q, ref: 2482
Hvpx______71_23_8 =  4.1E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______71_23_8 =  4.3E-01                                  ! [atm] type: ?, ref: 2440
Hvpx______71_23_8 =  9.2E-01                                  ! [atm] type: ?, ref: 3614
Hvpx______71_23_8 =  5.1E-01                                  ! [atm] type: ?, ref: 789
Hvpx______71_23_8 =  3.7E-01                                  ! [atm] type: ?, ref: 1500

! species:  2-propanol
! formula:  C_3H_7OH
! trivial:  isopropanol
! casrn:    67-63-0
! inchikey: KFZMGEQAYNKOFK-UHFFFAOYSA-N
Hvpx______67_63_0 =  4.5E-01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______67_63_0 =  4.5E-01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______67_63_0 =  4.7E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______67_63_0 =  4.3E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______67_63_0 =  4.3E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______67_63_0 =  4.7E-01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______67_63_0 =  4.4E-01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______67_63_0 =  5.0E-01 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______67_63_0 =  8.0E-01                                  ! [atm] type: M, ref: 2955
Hvpx______67_63_0 =  4.3E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3694
Hvpx______67_63_0 =  3.0E+00                                  ! [atm] type: M, ref: 2969
Hvpx______67_63_0 =  5.3E+02                                  ! [atm] type: M, ref: 2969
Hvpx______67_63_0 =  9.6E-01                                  ! [atm] type: M, ref: 2969
Hvpx______67_63_0 =  4.8E-01                                  ! [atm] type: M, ref: 2837
Hvpx______67_63_0 =  6.0E-01                                  ! [atm] type: M, ref: 1195
Hvpx______67_63_0 =  4.4E-01                                  ! [atm] type: M, ref: 3657
Hvpx______67_63_0 =  9.4E-01                                  ! [atm] type: M, ref: 3631
Hvpx______67_63_0 =  6.9E-01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 857
Hvpx______67_63_0 =  3.8E-01                                  ! [atm] type: M, ref: 3648
Hvpx______67_63_0 =  5.6E-01                                  ! [atm] type: M, ref: 3675
Hvpx______67_63_0 =  4.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: M, ref: 483
Hvpx______67_63_0 =  2.7E-01                                  ! [atm] type: M, ref: 3669
Hvpx______67_63_0 =  4.4E-01                                  ! [atm] type: M, ref: 2218
Hvpx______67_63_0 =  4.5E-01                                  ! [atm] type: M, ref: 712
Hvpx______67_63_0 =  4.4E-01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: V, ref: 3527
Hvpx______67_63_0 =  4.7E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: V, ref: 3693
Hvpx______67_63_0 =  3.2E-01                                  ! [atm] type: R, ref: 714
Hvpx______67_63_0 =  7.1E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______67_63_0 =  2.3E-01                                  ! [atm] type: Q, ref: 3682
Hvpx______67_63_0 =  4.6E-01                                  ! [atm] type: Q, ref: 3728
Hvpx______67_63_0 =  6.0E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______67_63_0 =  1.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______67_63_0 =  2.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______67_63_0 =  5.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______67_63_0 =  4.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______67_63_0 =  4.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______67_63_0 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______67_63_0 =  4.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______67_63_0 =  1.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______67_63_0 =  7.8E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______67_63_0 =  7.1E-01                                  ! [atm] type: Q, ref: 3731
Hvpx______67_63_0 =  5.3E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______67_63_0 =  5.0E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______67_63_0 =  6.1E-01                                  ! [atm] type: Q, ref: 1115
Hvpx______67_63_0 =  3.9E-01                                  ! [atm] type: Q, ref: 731
Hvpx______67_63_0 =  5.6E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______67_63_0 =  5.0E-01                                  ! [atm] type: Q, ref: 2482
Hvpx______67_63_0 =  4.1E-01                                  ! [atm] type: Q, ref: 2531
Hvpx______67_63_0 =  4.5E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______67_63_0 =  6.9E-01                                  ! [atm] type: ?, ref: 2440
Hvpx______67_63_0 =  1.1E+00                                  ! [atm] type: ?, ref: 3614
Hvpx______67_63_0 =  6.2E-01                                  ! [atm] type: ?, ref: 789
Hvpx______67_63_0 =  4.5E-01                                  ! [atm] type: ?, ref: 1500

! species:  glycidol
! formula:  C_3H_6O_2
! trivial:  
! casrn:    556-52-5
! inchikey: CTKINSOISVBQLD-UHFFFAOYSA-N
Hvpx_____556_52_5 =  3.2E-04                                  ! [atm] type: Q, ref: 3088

! species:  1-butanol
! formula:  C_4H_9OH
! trivial:  
! casrn:    71-36-3
! inchikey: LRHPLDYGYMQRHN-UHFFFAOYSA-N
Hvpx______71_36_3 =  4.5E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______71_36_3 =  4.5E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______71_36_3 =  4.7E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______71_36_3 =  4.5E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______71_36_3 =  4.4E-01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______71_36_3 =  4.5E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3065
Hvpx______71_36_3 =  4.8E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______71_36_3 =  4.5E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______71_36_3 =  5.2E-01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3719
Hvpx______71_36_3 =  2.7E-01                                  ! [atm] type: M, ref: 3404
Hvpx______71_36_3 =  5.3E-01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2999
Hvpx______71_36_3 =  4.4E-01                                  ! [atm] type: M, ref: 2925
Hvpx______71_36_3 =  5.0E-01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2997
Hvpx______71_36_3 =  6.6E-01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3112
Hvpx______71_36_3 =  5.8E-01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3609
Hvpx______71_36_3 =  1.2E+00                                  ! [atm] type: M, ref: 3643
Hvpx______71_36_3 =  1.3E+00                                  ! [atm] type: M, ref: 3670
Hvpx______71_36_3 =  1.1E+00                                  ! [atm] type: M, ref: 3611
Hvpx______71_36_3 =  5.1E-01                                  ! [atm] type: M, ref: 2837
Hvpx______71_36_3 =  6.6E-01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2961
Hvpx______71_36_3 =  4.7E-01                                  ! [atm] type: M, ref: 1195
Hvpx______71_36_3 =  1.0E+00                                  ! [atm] type: M, ref: 3402
Hvpx______71_36_3 =  5.2E-01                                  ! [atm] type: M, ref: 3657
Hvpx______71_36_3 =  3.9E+00                                  ! [atm] type: M, ref: 1073
Hvpx______71_36_3 =  1.1E+00                                  ! [atm] type: M, ref: 3631
Hvpx______71_36_3 =  4.8E-01                                  ! [atm] type: M, ref: 2457
Hvpx______71_36_3 =  9.0E-01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 857
Hvpx______71_36_3 =  4.4E-01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 483
Hvpx______71_36_3 =  1.0E+00                                  ! [atm] type: M, ref: 729
Hvpx______71_36_3 =  4.7E-01                                  ! [atm] type: M, ref: 2218
Hvpx______71_36_3 =  4.9E-01                                  ! [atm] type: M, ref: 2388
Hvpx______71_36_3 =  4.9E-01                                  ! [atm] type: M, ref: 754
Hvpx______71_36_3 =  4.0E-01                                  ! [atm] type: M, ref: 496
Hvpx______71_36_3 =  4.7E-01                                  ! [atm] type: M, ref: 712
Hvpx______71_36_3 =  4.8E-01                                  ! [atm] type: V, ref: 3404
Hvpx______71_36_3 =  4.9E-01                                  ! [atm] type: V, ref: 2613
Hvpx______71_36_3 =  7.5E-01                                  ! [atm] type: V, ref: 636
Hvpx______71_36_3 =  6.6E-01                                  ! [atm] type: V, ref: 2439
Hvpx______71_36_3 =  2.5E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx______71_36_3 =  4.7E-01                                  ! [atm] type: V, ref: 2388
Hvpx______71_36_3 =  4.7E-01                                  ! [atm] type: V, ref: 712
Hvpx______71_36_3 =  4.7E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______71_36_3 =  5.8E-01                                  ! [atm] type: Q, ref: 3682
Hvpx______71_36_3 =  2.9E-01                                  ! [atm] type: Q, ref: 3728
Hvpx______71_36_3 =  4.5E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______71_36_3 =  4.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______71_36_3 =  2.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______71_36_3 =  6.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______71_36_3 =  4.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______71_36_3 =  4.7E-01                                  ! [atm] type: Q, ref: 3689
Hvpx______71_36_3 =  5.8E-01                                  ! [atm] type: Q, ref: 3406
Hvpx______71_36_3 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______71_36_3 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______71_36_3 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______71_36_3 =  9.8E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______71_36_3 =  5.2E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______71_36_3 =  4.7E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______71_36_3 =  5.1E-01                                  ! [atm] type: Q, ref: 3731
Hvpx______71_36_3 =  5.8E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______71_36_3 =  3.0E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______71_36_3 =  4.9E-01                                  ! [atm] type: Q, ref: 1115
Hvpx______71_36_3 =  6.3E-01                                  ! [atm] type: Q, ref: 731
Hvpx______71_36_3 =  6.5E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______71_36_3 =  5.5E-01                                  ! [atm] type: Q, ref: 2482
Hvpx______71_36_3 =  4.9E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______71_36_3 =  4.8E-01                                  ! [atm] type: ?, ref: 2440
Hvpx______71_36_3 =  4.7E-01                                  ! [atm] type: ?, ref: 1500
Hvpx______71_36_3 =  3.1E-01                                  ! [atm] type: ?, ref: 2233

! species:  2-butanol
! formula:  C_4H_{10}O
! trivial:  {\it sec}-butanol
! casrn:    78-92-2
! inchikey: BTANRVKWQNVYAZ-UHFFFAOYSA-N
Hvpx______78_92_2 =  5.0E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______78_92_2 =  5.0E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______78_92_2 =  5.8E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______78_92_2 =  5.0E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______78_92_2 =  5.0E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______78_92_2 =  5.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______78_92_2 =  5.5E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______78_92_2 =  6.6E-01                                  ! [atm] type: M, ref: 3657
Hvpx______78_92_2 =  5.1E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: M, ref: 483
Hvpx______78_92_2 =  5.6E-01                                  ! [atm] type: M, ref: 2218
Hvpx______78_92_2 =  5.7E-01                                  ! [atm] type: M, ref: 712
Hvpx______78_92_2 =  5.7E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: V, ref: 3527
Hvpx______78_92_2 =  5.1E-01                                  ! [atm] type: V, ref: 2613
Hvpx______78_92_2 =  5.1E-01                                  ! [atm] type: V, ref: 636
Hvpx______78_92_2 =  6.0E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: T, ref: 2377
Hvpx______78_92_2 =  8.2E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_92_2 =  5.2E-01                                  ! [atm] type: Q, ref: 3682
Hvpx______78_92_2 =  4.7E-01                                  ! [atm] type: Q, ref: 3728
Hvpx______78_92_2 =  4.5E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______78_92_2 =  1.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______78_92_2 =  2.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______78_92_2 =  6.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______78_92_2 =  7.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______78_92_2 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______78_92_2 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______78_92_2 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______78_92_2 =  1.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______78_92_2 =  1.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______78_92_2 =  4.7E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______78_92_2 =  8.8E-01                                  ! [atm] type: Q, ref: 3731
Hvpx______78_92_2 =  6.5E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______78_92_2 =  9.6E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______78_92_2 =  4.7E-01                                  ! [atm] type: Q, ref: 1115
Hvpx______78_92_2 =  7.1E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______78_92_2 =  6.0E-01                                  ! [atm] type: Q, ref: 2482
Hvpx______78_92_2 =  5.0E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______78_92_2 =  4.6E-01                                  ! [atm] type: ?, ref: 2440
Hvpx______78_92_2 =  5.5E-01                                  ! [atm] type: ?, ref: 1500

! species:  2-methyl-1-propanol
! formula:  C_4H_{10}O
! trivial:  isobutanol
! casrn:    78-83-1
! inchikey: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
Hvpx______78_83_1 =  6.6E-01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______78_83_1 =  6.6E-01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______78_83_1 =  6.8E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______78_83_1 =  5.4E-01                                  ! [atm] type: L, ref: 2626
Hvpx______78_83_1 =  5.4E-01                                  ! [atm] type: L, ref: 1945
Hvpx______78_83_1 =  6.4E-01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______78_83_1 =  4.6E-01                                  ! [atm] type: M, ref: 3404
Hvpx______78_83_1 =  2.5E+00                                  ! [atm] type: M, ref: 3032
Hvpx______78_83_1 =  8.2E-01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3609
Hvpx______78_83_1 =  4.9E-01                                  ! [atm] type: M, ref: 1195
Hvpx______78_83_1 =  1.5E+00                                  ! [atm] type: M, ref: 2339
Hvpx______78_83_1 =  7.0E-01                                  ! [atm] type: M, ref: 3657
Hvpx______78_83_1 =  1.2E+00                                  ! [atm] type: M, ref: 3631
Hvpx______78_83_1 =  5.4E-01                                  ! [atm] type: M, ref: 483
Hvpx______78_83_1 =  6.8E-01                                  ! [atm] type: M, ref: 2218
Hvpx______78_83_1 =  6.6E-01                                  ! [atm] type: M, ref: 712
Hvpx______78_83_1 =  5.9E-01                                  ! [atm] type: V, ref: 3404
Hvpx______78_83_1 =  7.2E-01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: V, ref: 3527
Hvpx______78_83_1 =  7.5E-01                                  ! [atm] type: V, ref: 2613
Hvpx______78_83_1 =  7.5E-01                                  ! [atm] type: V, ref: 2339
Hvpx______78_83_1 =  7.5E-01                                  ! [atm] type: V, ref: 636
Hvpx______78_83_1 =  4.5E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______78_83_1 =  1.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______78_83_1 =  2.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______78_83_1 =  6.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______78_83_1 =  7.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______78_83_1 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______78_83_1 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______78_83_1 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______78_83_1 =  1.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______78_83_1 =  8.9E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______78_83_1 =  1.5E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______78_83_1 =  8.8E-01                                  ! [atm] type: Q, ref: 3731
Hvpx______78_83_1 =  9.6E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______78_83_1 =  3.0E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______78_83_1 =  6.6E-01                                  ! [atm] type: Q, ref: 1115
Hvpx______78_83_1 =  7.1E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______78_83_1 =  6.5E-01                                  ! [atm] type: Q, ref: 2482
Hvpx______78_83_1 =  5.4E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______78_83_1 =  6.5E-01                                  ! [atm] type: ?, ref: 2440
Hvpx______78_83_1 =  1.7E+00                                  ! [atm] type: ?, ref: 3614
Hvpx______78_83_1 =  6.8E-01                                  ! [atm] type: ?, ref: 1500
Hvpx______78_83_1 =  5.7E-01                                  ! [atm] type: ?, ref: 2233

! species:  2-methyl-2-propanol
! formula:  C_4H_{10}O
! trivial:  {\it tert}-butanol
! casrn:    75-65-0
! inchikey: DKGAVHZHDRPRBM-UHFFFAOYSA-N
Hvpx______75_65_0 =  6.9E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_65_0 =  7.9E-01 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_65_0 =  7.9E-01 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______75_65_0 =  6.9E-01 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______75_65_0 =  3.8E-01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______75_65_0 =  5.0E-01                                  ! [atm] type: M, ref: 1195
Hvpx______75_65_0 =  6.8E-01                                  ! [atm] type: M, ref: 3657
Hvpx______75_65_0 =  8.1E-01 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: M, ref: 483
Hvpx______75_65_0 =  7.2E-01                                  ! [atm] type: M, ref: 2218
Hvpx______75_65_0 =  6.6E-01                                  ! [atm] type: M, ref: 712
Hvpx______75_65_0 =  6.8E-01 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: V, ref: 3527
Hvpx______75_65_0 =  2.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_65_0 =  6.8E-01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: C, ref: 2431
Hvpx______75_65_0 =  2.7E-01                                  ! [atm] type: Q, ref: 3682
Hvpx______75_65_0 =  4.5E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______75_65_0 =  2.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______75_65_0 =  3.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_65_0 =  8.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_65_0 =  4.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_65_0 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______75_65_0 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_65_0 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______75_65_0 =  2.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______75_65_0 =  1.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______75_65_0 =  6.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______75_65_0 =  1.9E+00                                  ! [atm] type: Q, ref: 3731
Hvpx______75_65_0 =  6.0E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______75_65_0 =  7.3E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______75_65_0 =  7.4E-01                                  ! [atm] type: Q, ref: 984
Hvpx______75_65_0 =  1.8E+00                                  ! [atm] type: Q, ref: 1115
Hvpx______75_65_0 =  8.9E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______75_65_0 =  7.8E-01                                  ! [atm] type: Q, ref: 2482
Hvpx______75_65_0 =  5.0E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______75_65_0 =  9.6E-01                                  ! [atm] type: ?, ref: 2440
Hvpx______75_65_0 =  7.1E-01                                  ! [atm] type: ?, ref: 1500

! species:  1-pentanol
! formula:  C_5H_{11}OH
! trivial:  amyl alcohol
! casrn:    71-41-0
! inchikey: AMQJEAYHLZJPGS-UHFFFAOYSA-N
Hvpx______71_41_0 =  6.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______71_41_0 =  5.5E-01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3065
Hvpx______71_41_0 =  6.1E-01 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______71_41_0 =  6.8E-01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2999
Hvpx______71_41_0 =  7.3E-01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2997
Hvpx______71_41_0 =  5.8E-01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3112
Hvpx______71_41_0 =  5.7E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2961
Hvpx______71_41_0 =  7.1E-01                                  ! [atm] type: M, ref: 3657
Hvpx______71_41_0 =  1.3E+00                                  ! [atm] type: M, ref: 3631
Hvpx______71_41_0 =  6.5E-01                                  ! [atm] type: M, ref: 2457
Hvpx______71_41_0 =  6.1E-01                                  ! [atm] type: M, ref: 2218
Hvpx______71_41_0 =  7.0E-01                                  ! [atm] type: M, ref: 712
Hvpx______71_41_0 =  6.6E-01                                  ! [atm] type: V, ref: 2613
Hvpx______71_41_0 =  6.6E-01                                  ! [atm] type: V, ref: 636
Hvpx______71_41_0 =  9.0E-01 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx______71_41_0 =  7.0E-01                                  ! [atm] type: V, ref: 2388
Hvpx______71_41_0 =  7.2E-01                                  ! [atm] type: V, ref: 712
Hvpx______71_41_0 =  7.1E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______71_41_0 =  7.5E-01                                  ! [atm] type: Q, ref: 3682
Hvpx______71_41_0 =  3.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______71_41_0 =  4.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______71_41_0 =  3.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______71_41_0 =  8.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______71_41_0 =  6.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______71_41_0 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______71_41_0 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______71_41_0 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______71_41_0 =  1.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______71_41_0 =  7.2E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______71_41_0 =  6.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______71_41_0 =  1.0E+00                                  ! [atm] type: Q, ref: 3731
Hvpx______71_41_0 =  7.1E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______71_41_0 =  4.1E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______71_41_0 =  7.1E-01                                  ! [atm] type: Q, ref: 1115
Hvpx______71_41_0 =  8.7E-01                                  ! [atm] type: Q, ref: 731
Hvpx______71_41_0 =  8.3E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______71_41_0 =  6.9E-01                                  ! [atm] type: Q, ref: 2482
Hvpx______71_41_0 =  7.2E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______71_41_0 =  7.1E-01                                  ! [atm] type: ?, ref: 2440
Hvpx______71_41_0 =  6.8E-01                                  ! [atm] type: ?, ref: 789
Hvpx______71_41_0 =  6.0E-01                                  ! [atm] type: ?, ref: 1500
Hvpx______71_41_0 =  5.7E-01                                  ! [atm] type: ?, ref: 2233

! species:  2-pentanol
! formula:  C_5H_{12}O
! trivial:  {\it sec}-pentanol
! casrn:    6032-29-7
! inchikey: JYVLIDXNZAXMDK-UHFFFAOYSA-N
Hvpx____6032_29_7 =  8.2E-01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx____6032_29_7 =  8.5E-01 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx____6032_29_7 =  7.7E-01 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3633
Hvpx____6032_29_7 =  1.8E+00                                  ! [atm] type: M, ref: 3643
Hvpx____6032_29_7 =  2.1E+00                                  ! [atm] type: M, ref: 3670
Hvpx____6032_29_7 =  2.4E+00                                  ! [atm] type: M, ref: 3611
Hvpx____6032_29_7 =  8.3E-01                                  ! [atm] type: M, ref: 3657
Hvpx____6032_29_7 =  8.2E-01                                  ! [atm] type: M, ref: 712
Hvpx____6032_29_7 =  8.3E-01                                  ! [atm] type: V, ref: 2613
Hvpx____6032_29_7 =  8.3E-01                                  ! [atm] type: V, ref: 636
Hvpx____6032_29_7 =  8.4E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6032_29_7 =  7.1E-01                                  ! [atm] type: Q, ref: 3682
Hvpx____6032_29_7 =  3.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx____6032_29_7 =  1.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____6032_29_7 =  3.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____6032_29_7 =  8.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____6032_29_7 =  8.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____6032_29_7 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____6032_29_7 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx____6032_29_7 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____6032_29_7 =  1.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx____6032_29_7 =  1.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx____6032_29_7 =  8.2E-01                                  ! [atm] type: Q, ref: 2535
Hvpx____6032_29_7 =  8.6E-01                                  ! [atm] type: Q, ref: 3731
Hvpx____6032_29_7 =  7.8E-01                                  ! [atm] type: Q, ref: 2543
Hvpx____6032_29_7 =  6.0E-01                                  ! [atm] type: Q, ref: 3764
Hvpx____6032_29_7 =  8.4E-01                                  ! [atm] type: Q, ref: 1115
Hvpx____6032_29_7 =  9.4E-01                                  ! [atm] type: Q, ref: 1162
Hvpx____6032_29_7 =  7.6E-01                                  ! [atm] type: Q, ref: 2482
Hvpx____6032_29_7 =  8.2E-01                                  ! [atm] type: ?, ref: 3586
Hvpx____6032_29_7 =  8.4E-01                                  ! [atm] type: ?, ref: 2440
Hvpx____6032_29_7 =  8.2E-01                                  ! [atm] type: ?, ref: 1500

! species:  3-pentanol
! formula:  C_5H_{12}O
! trivial:  
! casrn:    584-02-1
! inchikey: AQIXEPGDORPWBJ-UHFFFAOYSA-N
Hvpx_____584_02_1 =  9.0E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____584_02_1 =  9.9E-01                                  ! [atm] type: L, ref: 3673
Hvpx_____584_02_1 =  8.5E-01 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3633
Hvpx_____584_02_1 =  1.1E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____584_02_1 =  8.7E-01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: T, ref: 2377
Hvpx_____584_02_1 =  1.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____584_02_1 =  3.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____584_02_1 =  8.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____584_02_1 =  2.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____584_02_1 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____584_02_1 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____584_02_1 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____584_02_1 =  1.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____584_02_1 =  1.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____584_02_1 =  8.2E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____584_02_1 =  9.0E-01                                  ! [atm] type: Q, ref: 3731
Hvpx_____584_02_1 =  7.8E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____584_02_1 =  1.1E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____584_02_1 =  7.1E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____584_02_1 =  1.0E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____584_02_1 =  1.0E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____584_02_1 =  8.7E-01                                  ! [atm] type: ?, ref: 1500

! species:  2-methyl-1-butanol
! formula:  C_5H_{12}O
! trivial:  
! casrn:    137-32-6
! inchikey: QPRQEDXDYOZYLA-UHFFFAOYSA-N
Hvpx_____137_32_6 =  7.2E-01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____137_32_6 =  7.7E-01                                  ! [atm] type: L, ref: 3673
Hvpx_____137_32_6 =  7.0E-01 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3633
Hvpx_____137_32_6 =  1.7E+00                                  ! [atm] type: M, ref: 3631
Hvpx_____137_32_6 =  7.8E-01                                  ! [atm] type: M, ref: 712
Hvpx_____137_32_6 =  6.5E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____137_32_6 =  1.2E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____137_32_6 =  3.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____137_32_6 =  1.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____137_32_6 =  3.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____137_32_6 =  7.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____137_32_6 =  9.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____137_32_6 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____137_32_6 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____137_32_6 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____137_32_6 =  1.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____137_32_6 =  9.3E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____137_32_6 =  7.8E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____137_32_6 =  1.2E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____137_32_6 =  2.9E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____137_32_6 =  6.6E-01                                  ! [atm] type: Q, ref: 1115
Hvpx_____137_32_6 =  9.2E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____137_32_6 =  8.0E-01                                  ! [atm] type: Q, ref: 2482
Hvpx_____137_32_6 =  7.8E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____137_32_6 =  6.5E-01                                  ! [atm] type: ?, ref: 2440
Hvpx_____137_32_6 =  7.8E-01                                  ! [atm] type: ?, ref: 1500

! species:  ($S$)-2-methyl-1-butanol
! formula:  C_5H_{12}O
! trivial:  
! casrn:    1565-80-6
! inchikey: QPRQEDXDYOZYLA-RXMQYKEDSA-N
Hvpx____1565_80_6 =  1.4E+00                                  ! [atm] type: Q, ref: 2521

! species:  3-methyl-1-butanol
! formula:  C_5H_{12}O
! trivial:  isopentanol
! casrn:    123-51-3
! inchikey: PHTQWCKDNZKARW-UHFFFAOYSA-N
Hvpx_____123_51_3 =  6.7E-01 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____123_51_3 =  7.8E-01                                  ! [atm] type: L, ref: 3673
Hvpx_____123_51_3 =  8.2E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3788
Hvpx_____123_51_3 =  6.7E-01 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3633
Hvpx_____123_51_3 =  1.7E+00                                  ! [atm] type: M, ref: 3643
Hvpx_____123_51_3 =  1.7E+00                                  ! [atm] type: M, ref: 3670
Hvpx_____123_51_3 =  1.7E+00                                  ! [atm] type: M, ref: 3611
Hvpx_____123_51_3 =  7.3E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_51_3 =  7.7E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____123_51_3 =  3.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____123_51_3 =  4.4E+00                                  ! [atm] type: Q, ref: 3521
Hvpx_____123_51_3 =  1.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_51_3 =  3.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_51_3 =  7.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_51_3 =  4.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_51_3 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_51_3 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_51_3 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_51_3 =  1.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_51_3 =  4.9E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_51_3 =  8.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____123_51_3 =  7.8E-01                                  ! [atm] type: Q, ref: 3731
Hvpx_____123_51_3 =  1.2E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____123_51_3 =  8.0E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____123_51_3 =  7.4E-01                                  ! [atm] type: Q, ref: 1115
Hvpx_____123_51_3 =  7.8E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____123_51_3 =  7.4E-01                                  ! [atm] type: ?, ref: 2440
Hvpx_____123_51_3 =  7.8E-01                                  ! [atm] type: ?, ref: 1500

! species:  2-methyl-2-butanol
! formula:  C_5H_{12}O
! trivial:  {\it tert}-pentanol
! casrn:    75-85-4
! inchikey: MSXVEPNJUHWQHW-UHFFFAOYSA-N
Hvpx______75_85_4 =  8.4E-01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_85_4 =  7.7E-01 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______75_85_4 =  7.6E-01 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3633
Hvpx______75_85_4 =  7.9E-01                                  ! [atm] type: M, ref: 3657
Hvpx______75_85_4 =  7.7E-01                                  ! [atm] type: M, ref: 712
Hvpx______75_85_4 =  3.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______75_85_4 =  2.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______75_85_4 =  4.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_85_4 =  8.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_85_4 =  1.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_85_4 =  7.6E-01                                  ! [atm] type: Q, ref: 3088
Hvpx______75_85_4 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______75_85_4 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_85_4 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______75_85_4 =  2.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______75_85_4 =  5.2E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______75_85_4 =  6.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______75_85_4 =  1.9E+00                                  ! [atm] type: Q, ref: 3731
Hvpx______75_85_4 =  7.3E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______75_85_4 =  8.0E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______75_85_4 =  9.0E-01                                  ! [atm] type: Q, ref: 1115
Hvpx______75_85_4 =  1.1E+00                                  ! [atm] type: Q, ref: 1162
Hvpx______75_85_4 =  9.2E-01                                  ! [atm] type: Q, ref: 2482
Hvpx______75_85_4 =  7.6E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______75_85_4 =  9.7E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______75_85_4 =  7.6E-01                                  ! [atm] type: ?, ref: 1500

! species:  3-methyl-2-butanol
! formula:  C_5H_{12}O
! trivial:  
! casrn:    598-75-4
! inchikey: MXLMTQWGSQIYOW-UHFFFAOYSA-N
Hvpx_____598_75_4 =  1.1E+00 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____598_75_4 =  1.0E+00 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3633
Hvpx_____598_75_4 =  9.7E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____598_75_4 =  2.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____598_75_4 =  2.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____598_75_4 =  7.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____598_75_4 =  1.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____598_75_4 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____598_75_4 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____598_75_4 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____598_75_4 =  1.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____598_75_4 =  7.7E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____598_75_4 =  8.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____598_75_4 =  1.2E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____598_75_4 =  1.0E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____598_75_4 =  1.0E+00                                  ! [atm] type: ?, ref: 2440

! species:  2,2-dimethyl-1-propanol
! formula:  C_5H_{12}O
! trivial:  
! casrn:    75-84-3
! inchikey: KPSSIOMAKSHJJG-UHFFFAOYSA-N
Hvpx______75_84_3 =  1.8E+00 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_84_3 =  2.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx______75_84_3 =  2.9E+00                                  ! [atm] type: V, ref: 3088
Hvpx______75_84_3 =  9.6E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_84_3 =  1.5E+00                                  ! [atm] type: Q, ref: 3682
Hvpx______75_84_3 =  2.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______75_84_3 =  4.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_84_3 =  9.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_84_3 =  1.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_84_3 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______75_84_3 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_84_3 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______75_84_3 =  1.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______75_84_3 =  9.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______75_84_3 =  1.1E+00                                  ! [atm] type: E, ref: 588

! species:  1-hexanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    111-27-3
! inchikey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N
Hvpx_____111_27_3 =  7.1E-01 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____111_27_3 =  8.3E-01 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____111_27_3 =  9.6E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2999
Hvpx_____111_27_3 =  1.1E+00 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2997
Hvpx_____111_27_3 =  1.4E+00 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3112
Hvpx_____111_27_3 =  1.4E+00                                  ! [atm] type: M, ref: 3671
Hvpx_____111_27_3 =  2.2E+00                                  ! [atm] type: M, ref: 3643
Hvpx_____111_27_3 =  7.5E-01                                  ! [atm] type: M, ref: 3670
Hvpx_____111_27_3 =  3.4E+00                                  ! [atm] type: M, ref: 3611
Hvpx_____111_27_3 =  1.4E+00 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2961
Hvpx_____111_27_3 =  5.6E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____111_27_3 =  1.5E+00                                  ! [atm] type: M, ref: 3402
Hvpx_____111_27_3 =  9.3E-01                                  ! [atm] type: M, ref: 3657
Hvpx_____111_27_3 =  8.5E-01                                  ! [atm] type: M, ref: 2457
Hvpx_____111_27_3 =  7.9E-01                                  ! [atm] type: M, ref: 2218
Hvpx_____111_27_3 =  9.5E-01                                  ! [atm] type: M, ref: 754
Hvpx_____111_27_3 =  1.0E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____111_27_3 =  1.0E+00                                  ! [atm] type: V, ref: 636
Hvpx_____111_27_3 =  7.2E-01                                  ! [atm] type: V, ref: 2439
Hvpx_____111_27_3 =  3.3E-01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx_____111_27_3 =  8.5E-01                                  ! [atm] type: V, ref: 642
Hvpx_____111_27_3 =  8.5E-01                                  ! [atm] type: V, ref: 712
Hvpx_____111_27_3 =  1.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_27_3 =  9.4E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____111_27_3 =  2.6E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____111_27_3 =  3.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_27_3 =  4.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_27_3 =  1.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_27_3 =  6.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_27_3 =  8.5E-01                                  ! [atm] type: Q, ref: 3689
Hvpx_____111_27_3 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_27_3 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_27_3 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_27_3 =  1.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_27_3 =  5.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_27_3 =  1.3E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____111_27_3 =  8.7E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_27_3 =  3.6E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_27_3 =  1.2E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____111_27_3 =  1.4E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____111_27_3 =  1.1E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____111_27_3 =  8.7E-01                                  ! [atm] type: Q, ref: 2482
Hvpx_____111_27_3 =  9.5E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____111_27_3 =  1.2E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_27_3 =  1.0E+00                                  ! [atm] type: ?, ref: 789
Hvpx_____111_27_3 =  8.0E-01                                  ! [atm] type: ?, ref: 1500

! species:  2-hexanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    626-93-7
! inchikey: QNVRIHYSUZMSGM-UHFFFAOYSA-N
Hvpx_____626_93_7 =  1.4E+00 * EXP(  -8100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____626_93_7 =  1.0E+00                                  ! [atm] type: L, ref: 3673
Hvpx_____626_93_7 =  1.1E+00                                  ! [atm] type: M, ref: 3657
Hvpx_____626_93_7 =  1.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____626_93_7 =  1.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____626_93_7 =  7.5E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____626_93_7 =  1.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____626_93_7 =  3.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____626_93_7 =  1.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____626_93_7 =  9.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____626_93_7 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____626_93_7 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____626_93_7 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____626_93_7 =  2.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____626_93_7 =  2.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____626_93_7 =  1.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____626_93_7 =  1.9E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____626_93_7 =  4.8E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____626_93_7 =  1.3E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____626_93_7 =  1.3E+00                                  ! [atm] type: ?, ref: 2440

! species:  3-hexanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    623-37-0
! inchikey: ZOCHHNOQQHDWHG-UHFFFAOYSA-N
Hvpx_____623_37_0 =  1.5E+00 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____623_37_0 =  1.3E+00 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____623_37_0 =  2.2E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____623_37_0 =  2.4E+00                                  ! [atm] type: V, ref: 1145
Hvpx_____623_37_0 =  2.7E+00                                  ! [atm] type: V, ref: 642
Hvpx_____623_37_0 =  1.4E+00 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: T, ref: 2377
Hvpx_____623_37_0 =  2.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____623_37_0 =  1.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____623_37_0 =  3.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____623_37_0 =  1.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____623_37_0 =  2.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____623_37_0 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____623_37_0 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____623_37_0 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____623_37_0 =  2.7E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____623_37_0 =  2.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____623_37_0 =  1.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____623_37_0 =  1.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____623_37_0 =  9.4E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____623_37_0 =  1.3E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____623_37_0 =  1.1E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____623_37_0 =  9.7E-01                                  ! [atm] type: Q, ref: 1145
Hvpx_____623_37_0 =  9.2E-01                                  ! [atm] type: Q, ref: 2482
Hvpx_____623_37_0 =  1.4E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-methyl-1-pentanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    105-30-6
! inchikey: PFNHSEQQEPMLNI-UHFFFAOYSA-N
Hvpx_____105_30_6 =  1.2E+00                                  ! [atm] type: L, ref: 3673
Hvpx_____105_30_6 =  2.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____105_30_6 =  2.4E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____105_30_6 =  1.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____105_30_6 =  3.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____105_30_6 =  9.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____105_30_6 =  9.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____105_30_6 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_30_6 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_30_6 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_30_6 =  1.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____105_30_6 =  1.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____105_30_6 =  1.8E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____105_30_6 =  1.7E+00                                  ! [atm] type: ?, ref: 2440

! species:  3-methyl-1-pentanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    589-35-5
! inchikey: IWTBVKIGCDZRPL-UHFFFAOYSA-N
Hvpx_____589_35_5 =  7.3E-01 * EXP(  -8600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____589_35_5 =  3.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_35_5 =  8.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_35_5 =  5.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_35_5 =  1.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____589_35_5 =  1.5E+00                                  ! [atm] type: Q, ref: 2521

! species:  2-methyl-2-pentanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    590-36-3
! inchikey: WFRBDWRZVBPBDO-UHFFFAOYSA-N
Hvpx_____590_36_3 =  2.0E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____590_36_3 =  1.8E+00                                  ! [atm] type: V, ref: 642
Hvpx_____590_36_3 =  2.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____590_36_3 =  5.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____590_36_3 =  1.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____590_36_3 =  1.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____590_36_3 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____590_36_3 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____590_36_3 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____590_36_3 =  1.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____590_36_3 =  7.0E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____590_36_3 =  1.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____590_36_3 =  8.7E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____590_36_3 =  8.2E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____590_36_3 =  1.1E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____590_36_3 =  1.4E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____590_36_3 =  1.2E+00                                  ! [atm] type: Q, ref: 2482
Hvpx_____590_36_3 =  1.8E+00                                  ! [atm] type: ?, ref: 1500

! species:  3-methyl-2-pentanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    565-60-6
! inchikey: ZXNBBWHRUSXUFZ-UHFFFAOYSA-N
Hvpx_____565_60_6 =  1.1E+00                                  ! [atm] type: L, ref: 3673
Hvpx_____565_60_6 =  3.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____565_60_6 =  6.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____565_60_6 =  1.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____565_60_6 =  1.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____565_60_6 =  1.9E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-2-pentanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    108-11-2
! inchikey: WVYWICLMDOOCFB-UHFFFAOYSA-N
Hvpx_____108_11_2 =  2.5E+00 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_11_2 =  1.6E+00                                  ! [atm] type: L, ref: 3673
Hvpx_____108_11_2 =  2.6E+00                                  ! [atm] type: V, ref: 1145
Hvpx_____108_11_2 =  2.5E+00                                  ! [atm] type: V, ref: 642
Hvpx_____108_11_2 =  2.6E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_11_2 =  2.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_11_2 =  3.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_11_2 =  9.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_11_2 =  1.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_11_2 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_11_2 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_11_2 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_11_2 =  2.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_11_2 =  2.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_11_2 =  2.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_11_2 =  1.0E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_11_2 =  2.9E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____108_11_2 =  1.4E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_11_2 =  9.7E-01                                  ! [atm] type: Q, ref: 1145
Hvpx_____108_11_2 =  1.1E+00                                  ! [atm] type: Q, ref: 2482
Hvpx_____108_11_2 =  2.5E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_11_2 =  2.6E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_11_2 =  2.5E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-methyl-3-pentanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    565-67-3
! inchikey: ISTJMQSHILQAEC-UHFFFAOYSA-N
Hvpx_____565_67_3 =  1.9E+00                                  ! [atm] type: V, ref: 642
Hvpx_____565_67_3 =  3.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____565_67_3 =  7.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____565_67_3 =  3.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____565_67_3 =  1.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____565_67_3 =  9.4E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____565_67_3 =  1.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____565_67_3 =  1.5E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____565_67_3 =  1.5E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____565_67_3 =  1.3E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____565_67_3 =  1.1E+00                                  ! [atm] type: Q, ref: 2482
Hvpx_____565_67_3 =  1.9E+00                                  ! [atm] type: ?, ref: 1500

! species:  3-methyl-3-pentanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    77-74-7
! inchikey: FRDAATYAJDYRNW-UHFFFAOYSA-N
Hvpx______77_74_7 =  2.3E+00 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______77_74_7 =  1.2E+00                                  ! [atm] type: L, ref: 3673
Hvpx______77_74_7 =  1.1E+00                                  ! [atm] type: M, ref: 3657
Hvpx______77_74_7 =  9.7E-01                                  ! [atm] type: V, ref: 3586
Hvpx______77_74_7 =  2.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______77_74_7 =  5.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______77_74_7 =  9.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______77_74_7 =  1.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______77_74_7 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______77_74_7 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______77_74_7 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______77_74_7 =  2.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______77_74_7 =  1.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______77_74_7 =  1.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______77_74_7 =  9.8E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______77_74_7 =  7.8E-01                                  ! [atm] type: Q, ref: 1115

! species:  2-ethyl-1-butanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    97-95-0
! inchikey: TZYRSLHNPKPEFV-UHFFFAOYSA-N
Hvpx______97_95_0 =  1.0E+00                                  ! [atm] type: L, ref: 3673
Hvpx______97_95_0 =  2.8E+00                                  ! [atm] type: V, ref: 3586
Hvpx______97_95_0 =  1.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______97_95_0 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______97_95_0 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______97_95_0 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______97_95_0 =  1.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______97_95_0 =  9.9E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______97_95_0 =  1.6E+00                                  ! [atm] type: Q, ref: 3731
Hvpx______97_95_0 =  2.8E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______97_95_0 =  1.1E+00                                  ! [atm] type: Q, ref: 1115
Hvpx______97_95_0 =  1.1E+00                                  ! [atm] type: ?, ref: 2440

! species:  2,2-dimethyl-1-butanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    1185-33-7
! inchikey: XRMVWAKMXZNZIL-UHFFFAOYSA-N
Hvpx____1185_33_7 =  5.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____1185_33_7 =  1.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____1185_33_7 =  2.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____1185_33_7 =  1.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx____1185_33_7 =  1.9E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,3-dimethyl-1-butanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    19550-30-2
! inchikey: SXSWMAUXEHKFGX-UHFFFAOYSA-N
Hvpx___19550_30_2 =  3.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx___19550_30_2 =  6.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx___19550_30_2 =  1.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx___19550_30_2 =  6.7E-01                                  ! [atm] type: Q, ref: 1115
Hvpx___19550_30_2 =  1.3E+00                                  ! [atm] type: Q, ref: 1162
Hvpx___19550_30_2 =  1.2E+00                                  ! [atm] type: Q, ref: 2482

! species:  2,3-dimethyl-2-butanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    594-60-5
! inchikey: IKECULIHBUCAKR-UHFFFAOYSA-N
Hvpx_____594_60_5 =  1.4E+00                                  ! [atm] type: L, ref: 3673
Hvpx_____594_60_5 =  5.5E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____594_60_5 =  1.8E+00                                  ! [atm] type: V, ref: 642
Hvpx_____594_60_5 =  5.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____594_60_5 =  4.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____594_60_5 =  8.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____594_60_5 =  1.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____594_60_5 =  2.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____594_60_5 =  2.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____594_60_5 =  5.4E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____594_60_5 =  9.2E-01                                  ! [atm] type: Q, ref: 3764

! species:  3,3-dimethyl-1-butanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    624-95-3
! inchikey: DUXCSEISVMREAX-UHFFFAOYSA-N
Hvpx_____624_95_3 =  5.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____624_95_3 =  9.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____624_95_3 =  3.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____624_95_3 =  2.3E+00                                  ! [atm] type: Q, ref: 3406

! species:  3,3-dimethyl-2-butanol
! formula:  C_6H_{14}O
! trivial:  
! casrn:    464-07-3
! inchikey: DFOXKPDFWGNLJU-UHFFFAOYSA-N
Hvpx_____464_07_3 =  4.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____464_07_3 =  1.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____464_07_3 =  2.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____464_07_3 =  9.7E-01                                  ! [atm] type: Q, ref: 3088
Hvpx_____464_07_3 =  1.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____464_07_3 =  1.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,2-bis(hydroxymethyl)-1-butanol
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    77-99-6
! inchikey: ZJCCRDAZUWHFQH-UHFFFAOYSA-N
Hvpx______77_99_6 =  4.4E-07                                  ! [atm] type: V, ref: 3586
Hvpx______77_99_6 =  6.2E-07                                  ! [atm] type: Q, ref: 3586

! species:  1-heptanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    111-70-6
! inchikey: BBMCTIGTTCKYKF-UHFFFAOYSA-N
Hvpx_____111_70_6 =  1.0E+00 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____111_70_6 =  1.0E+00 * EXP(  -8600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____111_70_6 =  1.4E+00 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2999
Hvpx_____111_70_6 =  1.5E+00 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2997
Hvpx_____111_70_6 =  6.4E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____111_70_6 =  3.1E+00                                  ! [atm] type: M, ref: 2339
Hvpx_____111_70_6 =  8.8E-01                                  ! [atm] type: V, ref: 2613
Hvpx_____111_70_6 =  8.8E-01                                  ! [atm] type: V, ref: 2339
Hvpx_____111_70_6 =  8.8E-01                                  ! [atm] type: V, ref: 636
Hvpx_____111_70_6 =  1.2E-01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx_____111_70_6 =  1.1E+00 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: V, ref: 1497
Hvpx_____111_70_6 =  1.0E+00                                  ! [atm] type: V, ref: 642
Hvpx_____111_70_6 =  1.1E+00                                  ! [atm] type: V, ref: 712
Hvpx_____111_70_6 =  1.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_70_6 =  1.2E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____111_70_6 =  1.9E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____111_70_6 =  3.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_70_6 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_70_6 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_70_6 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_70_6 =  1.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_70_6 =  7.5E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_70_6 =  2.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_70_6 =  1.9E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____111_70_6 =  1.1E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_70_6 =  4.3E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_70_6 =  1.1E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____111_70_6 =  3.0E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____111_70_6 =  1.4E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____111_70_6 =  1.1E+00                                  ! [atm] type: Q, ref: 2482
Hvpx_____111_70_6 =  1.4E+00                                  ! [atm] type: ?, ref: 3539
Hvpx_____111_70_6 =  1.0E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____111_70_6 =  1.0E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_70_6 =  6.5E-01                                  ! [atm] type: ?, ref: 789
Hvpx_____111_70_6 =  1.1E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-heptanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    543-49-7
! inchikey: CETWDUZRCINIHU-UHFFFAOYSA-N
Hvpx_____543_49_7 =  1.7E+00 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____543_49_7 =  1.3E+00                                  ! [atm] type: L, ref: 3673
Hvpx_____543_49_7 =  3.1E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____543_49_7 =  4.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____543_49_7 =  4.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____543_49_7 =  9.4E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____543_49_7 =  9.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____543_49_7 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____543_49_7 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____543_49_7 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____543_49_7 =  4.5E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____543_49_7 =  2.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____543_49_7 =  2.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____543_49_7 =  2.1E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____543_49_7 =  4.6E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____543_49_7 =  3.1E+00                                  ! [atm] type: ?, ref: 2440

! species:  3-heptanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    589-82-2
! inchikey: RZKSECIXORKHQS-UHFFFAOYSA-N
Hvpx_____589_82_2 =  1.7E+00 * EXP(  -9100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____589_82_2 =  1.7E+00                                  ! [atm] type: L, ref: 3673
Hvpx_____589_82_2 =  1.6E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____589_82_2 =  9.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____589_82_2 =  4.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_82_2 =  1.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_82_2 =  2.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_82_2 =  2.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____589_82_2 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____589_82_2 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____589_82_2 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____589_82_2 =  1.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____589_82_2 =  1.5E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____589_82_2 =  1.0E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____589_82_2 =  2.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-heptanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    589-55-9
! inchikey: YVBCULSIZWMTFY-UHFFFAOYSA-N
Hvpx_____589_55_9 =  1.6E+00 * EXP(  -9100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____589_55_9 =  1.6E+00 * EXP(  -9100.*(1./T-1./298.15)) ! [atm] type: T, ref: 2377
Hvpx_____589_55_9 =  3.1E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____589_55_9 =  2.5E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-methyl-1-hexanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    624-22-6
! inchikey: LCFKURIJYIJNRU-UHFFFAOYSA-N
Hvpx_____624_22_6 =  7.9E-01 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____624_22_6 =  3.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-methyl-1-hexanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    13231-81-7
! inchikey: YGZVAQICDGBHMD-UHFFFAOYSA-N
Hvpx___13231_81_7 =  4.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-1-hexanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    818-49-5
! inchikey: YNPVNLWKVZZBTM-UHFFFAOYSA-N
Hvpx_____818_49_5 =  4.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  5-methyl-1-hexanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    627-98-5
! inchikey: ZVHAANQOQZVVFD-UHFFFAOYSA-N
Hvpx_____627_98_5 =  1.9E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-methyl-2-hexanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    625-23-0
! inchikey: KRIMXCDMVRMCTC-UHFFFAOYSA-N
Hvpx_____625_23_0 =  6.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_23_0 =  1.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_23_0 =  1.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_23_0 =  8.2E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____625_23_0 =  8.6E-01                                  ! [atm] type: Q, ref: 1115

! species:  3-methyl-2-hexanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    2313-65-7
! inchikey: IRLSKJITMWPWNY-UHFFFAOYSA-N
Hvpx____2313_65_7 =  3.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2313_65_7 =  3.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____2313_65_7 =  4.4E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____2313_65_7 =  1.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-2-hexanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    2313-61-3
! inchikey: KZUBXUKRWLMPIO-UHFFFAOYSA-N
Hvpx____2313_61_3 =  3.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____2313_61_3 =  1.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____2313_61_3 =  1.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____2313_61_3 =  1.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  5-methyl-2-hexanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    627-59-8
! inchikey: ZDVJGWXFXGJSIU-UHFFFAOYSA-N
Hvpx_____627_59_8 =  3.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____627_59_8 =  1.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____627_59_8 =  9.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____627_59_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____627_59_8 =  1.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-methyl-3-hexanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    617-29-8
! inchikey: RGRUUTLDBCWYBL-UHFFFAOYSA-N
Hvpx_____617_29_8 =  9.5E-01                                  ! [atm] type: Q, ref: 1115

! species:  3-methyl-3-hexanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    597-96-6
! inchikey: KYWJZCSJMOILIZ-UHFFFAOYSA-N
Hvpx_____597_96_6 =  6.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____597_96_6 =  1.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____597_96_6 =  2.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____597_96_6 =  5.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____597_96_6 =  7.1E-01                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-3-hexanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    615-29-2
! inchikey: NZPGYIBESMMUFU-UHFFFAOYSA-N
Hvpx_____615_29_2 =  4.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____615_29_2 =  5.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____615_29_2 =  4.3E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____615_29_2 =  1.0E+00                                  ! [atm] type: Q, ref: 1115

! species:  5-methyl-3-hexanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    623-55-2
! inchikey: RGCZULIFYUPTAR-UHFFFAOYSA-N
Hvpx_____623_55_2 =  3.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____623_55_2 =  3.7E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____623_55_2 =  4.4E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____623_55_2 =  1.0E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-ethyl-1-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    27522-11-8
! inchikey: UKFQWAVMIMCNEH-UHFFFAOYSA-N
Hvpx___27522_11_8 =  5.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___27522_11_8 =  4.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___27522_11_8 =  4.9E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___27522_11_8 =  1.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-1-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    66225-51-2
! inchikey: DVEFUHVVWJONKR-UHFFFAOYSA-N
Hvpx___66225_51_2 =  6.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_51_2 =  3.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_51_2 =  4.7E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___66225_51_2 =  1.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-2-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    609-27-8
! inchikey: NEHRITNOSGFGGS-UHFFFAOYSA-N
Hvpx_____609_27_8 =  5.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____609_27_8 =  3.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____609_27_8 =  4.4E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____609_27_8 =  1.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-3-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    597-49-9
! inchikey: XKIRHOWVQWCYBT-UHFFFAOYSA-N
Hvpx_____597_49_9 =  1.8E+00                                  ! [atm] type: L, ref: 3673
Hvpx_____597_49_9 =  4.7E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____597_49_9 =  5.1E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,2-dimethyl-1-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    2370-12-9
! inchikey: QTOMCRXZFDHJOL-UHFFFAOYSA-N
Hvpx____2370_12_9 =  5.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2370_12_9 =  1.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____2370_12_9 =  5.1E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____2370_12_9 =  1.7E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,3-dimethyl-1-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    10143-23-4
! inchikey: MIBBFRQOCRYDDB-UHFFFAOYSA-N
Hvpx___10143_23_4 =  1.5E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,4-dimethyl-1-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    6305-71-1
! inchikey: OVOVDHYEOQJKMD-UHFFFAOYSA-N
Hvpx____6305_71_1 =  5.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6305_71_1 =  5.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____6305_71_1 =  5.3E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____6305_71_1 =  1.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  3,3-dimethyl-1-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    19264-94-9
! inchikey: IFDHMBHPLKHMOY-UHFFFAOYSA-N
Hvpx___19264_94_9 =  1.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  3,4-dimethyl-1-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    6570-87-2
! inchikey: SVJNECJVNWTYQG-UHFFFAOYSA-N
Hvpx____6570_87_2 =  3.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6570_87_2 =  3.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____6570_87_2 =  5.1E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____6570_87_2 =  1.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  4,4-dimethyl-1-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    3121-79-7
! inchikey: OWCNPTHAWPMOJU-UHFFFAOYSA-N
Hvpx____3121_79_7 =  6.4E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3121_79_7 =  3.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____3121_79_7 =  4.8E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____3121_79_7 =  1.4E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,3-dimethyl-2-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    4911-70-0
! inchikey: YRSIFCHKXFKNME-UHFFFAOYSA-N
Hvpx____4911_70_0 =  5.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx____4911_70_0 =  6.4E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,4-dimethyl-2-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    625-06-9
! inchikey: FMLSQAUAAGVTJO-UHFFFAOYSA-N
Hvpx_____625_06_9 =  1.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____625_06_9 =  9.5E-01                                  ! [atm] type: Q, ref: 1115

! species:  3,3-dimethyl-2-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    19781-24-9
! inchikey: FCUOIGTWJDBTHR-UHFFFAOYSA-N
Hvpx___19781_24_9 =  6.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19781_24_9 =  5.4E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___19781_24_9 =  4.5E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___19781_24_9 =  9.9E-01                                  ! [atm] type: Q, ref: 1115

! species:  3,4-dimethyl-2-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    64502-86-9
! inchikey: SODKTKJZYBOMMT-UHFFFAOYSA-N
Hvpx___64502_86_9 =  3.1E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___64502_86_9 =  1.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  4,4-dimethyl-2-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    6144-93-0
! inchikey: OIBKGNPMOMMSSI-UHFFFAOYSA-N
Hvpx____6144_93_0 =  8.0E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,2-dimethyl-3-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    3970-62-5
! inchikey: HMSVXZJWPVIVIV-UHFFFAOYSA-N
Hvpx____3970_62_5 =  1.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx____3970_62_5 =  1.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,3-dimethyl-3-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    595-41-5
! inchikey: RFZHJHSNHYIRNE-UHFFFAOYSA-N
Hvpx_____595_41_5 =  5.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____595_41_5 =  5.9E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,4-dimethyl-3-pentanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    600-36-2
! inchikey: BAYAKMPRFGNNFW-UHFFFAOYSA-N
Hvpx_____600_36_2 =  1.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____600_36_2 =  1.4E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-ethyl-2-methyl-1-butanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    18371-13-6
! inchikey: KMWHQWJVSALJAW-UHFFFAOYSA-N
Hvpx___18371_13_6 =  1.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-ethyl-3-methyl-1-butanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    32444-34-1
! inchikey: OXFFPTMSBXBVLZ-UHFFFAOYSA-N
Hvpx___32444_34_1 =  1.5E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,2,3-trimethyl-1-butanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    55505-23-2
! inchikey: FAMOAJMEFGYSNY-UHFFFAOYSA-N
Hvpx___55505_23_2 =  6.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___55505_23_2 =  8.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___55505_23_2 =  5.5E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___55505_23_2 =  1.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,3,3-trimethyl-1-butanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    36794-64-6
! inchikey: IWWVOLGZHKFWKK-UHFFFAOYSA-N
Hvpx___36794_64_6 =  6.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___36794_64_6 =  5.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___36794_64_6 =  5.2E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___36794_64_6 =  1.4E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,3,3-trimethyl-2-butanol
! formula:  C_7H_{16}O
! trivial:  
! casrn:    594-83-2
! inchikey: OKXVARYIKDXAEO-UHFFFAOYSA-N
Hvpx_____594_83_2 =  2.0E+00                                  ! [atm] type: Q, ref: 1115

! species:  1-octanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    111-87-5
! inchikey: KBPLFHHGFOOTCA-UHFFFAOYSA-N
Hvpx_____111_87_5 =  1.6E+00 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____111_87_5 =  1.3E+00 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____111_87_5 =  3.3E+00 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3719
Hvpx_____111_87_5 =  2.6E+00 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2999
Hvpx_____111_87_5 =  2.8E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2997
Hvpx_____111_87_5 =  8.4E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____111_87_5 =  2.0E+00                                  ! [atm] type: M, ref: 3402
Hvpx_____111_87_5 =  1.4E+00                                  ! [atm] type: M, ref: 754
Hvpx_____111_87_5 =  1.4E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____111_87_5 =  2.3E+00                                  ! [atm] type: V, ref: 636
Hvpx_____111_87_5 =  1.3E+00                                  ! [atm] type: V, ref: 642
Hvpx_____111_87_5 =  1.3E+00                                  ! [atm] type: V, ref: 712
Hvpx_____111_87_5 =  1.4E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_87_5 =  1.5E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____111_87_5 =  1.4E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____111_87_5 =  3.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_87_5 =  1.7E+00                                  ! [atm] type: Q, ref: 3025
Hvpx_____111_87_5 =  1.3E+00                                  ! [atm] type: Q, ref: 3689
Hvpx_____111_87_5 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_87_5 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_87_5 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_87_5 =  2.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_87_5 =  9.8E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_87_5 =  1.7E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_87_5 =  2.1E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____111_87_5 =  1.4E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_87_5 =  4.4E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_87_5 =  1.4E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____111_87_5 =  1.8E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____111_87_5 =  1.4E+00                                  ! [atm] type: Q, ref: 2482
Hvpx_____111_87_5 =  1.4E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____111_87_5 =  1.4E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_87_5 =  8.8E-01                                  ! [atm] type: ?, ref: 789
Hvpx_____111_87_5 =  1.4E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-octanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    123-96-6
! inchikey: SJWFXCIHNDVPSH-UHFFFAOYSA-N
Hvpx_____123_96_6 =  2.0E+00 * EXP(  -9600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____123_96_6 =  1.6E+00                                  ! [atm] type: L, ref: 3673
Hvpx_____123_96_6 =  2.0E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____123_96_6 =  2.0E+00                                  ! [atm] type: V, ref: 1145
Hvpx_____123_96_6 =  5.7E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_96_6 =  1.3E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____123_96_6 =  1.4E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____123_96_6 =  9.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_96_6 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_96_6 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_96_6 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_96_6 =  3.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_96_6 =  2.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_96_6 =  1.8E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____123_96_6 =  1.7E+00                                  ! [atm] type: Q, ref: 1145
Hvpx_____123_96_6 =  6.8E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____123_96_6 =  5.7E-01                                  ! [atm] type: ?, ref: 2440

! species:  3-octanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    589-98-0
! inchikey: NMRPBPVERJPACX-UHFFFAOYSA-N
Hvpx_____589_98_0 =  1.7E+00                                  ! [atm] type: L, ref: 3673
Hvpx_____589_98_0 =  4.6E+00 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3719
Hvpx_____589_98_0 =  4.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____589_98_0 =  5.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_98_0 =  1.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_98_0 =  2.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_98_0 =  4.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____589_98_0 =  6.9E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____589_98_0 =  1.8E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-octanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    589-62-8
! inchikey: WOFPPJOZXUTRAU-UHFFFAOYSA-N
Hvpx_____589_62_8 =  4.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____589_62_8 =  1.9E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-methyl-1-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    60435-70-3
! inchikey: QZESEQBMSFFHRY-UHFFFAOYSA-N
Hvpx___60435_70_3 =  6.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60435_70_3 =  9.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___60435_70_3 =  7.4E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___60435_70_3 =  1.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-methyl-1-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    1070-32-2
! inchikey: MUPPEBVXFKNMCI-UHFFFAOYSA-N
Hvpx____1070_32_2 =  6.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1070_32_2 =  7.3E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____1070_32_2 =  2.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-1-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    817-91-4
! inchikey: LLUQZGDMUIMPTC-UHFFFAOYSA-N
Hvpx_____817_91_4 =  5.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____817_91_4 =  7.3E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____817_91_4 =  2.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  5-methyl-1-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    7212-53-5
! inchikey: KFARNLMRENFOHE-UHFFFAOYSA-N
Hvpx____7212_53_5 =  4.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____7212_53_5 =  2.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  6-methyl-1-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    1653-40-3
! inchikey: BWDBEAQIHAEVLV-UHFFFAOYSA-N
Hvpx____1653_40_3 =  5.1E+00                                  ! [atm] type: V, ref: 3586
Hvpx____1653_40_3 =  5.1E+00                                  ! [atm] type: V, ref: 3088
Hvpx____1653_40_3 =  9.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx____1653_40_3 =  2.7E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-methyl-2-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    625-25-2
! inchikey: ACBMYYVZWKYLIP-UHFFFAOYSA-N
Hvpx_____625_25_2 =  1.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-methyl-2-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    31367-46-1
! inchikey: SZERMVMTUUAYML-UHFFFAOYSA-N
Hvpx___31367_46_1 =  7.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___31367_46_1 =  5.7E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___31367_46_1 =  6.9E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___31367_46_1 =  1.4E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-2-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    56298-90-9
! inchikey: GUHWHNUGIGOSCN-UHFFFAOYSA-N
Hvpx___56298_90_9 =  3.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___56298_90_9 =  1.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  5-methyl-2-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    54630-50-1
! inchikey: FYMBAYNKBWGEIK-UHFFFAOYSA-N
Hvpx___54630_50_1 =  5.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___54630_50_1 =  3.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___54630_50_1 =  7.1E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___54630_50_1 =  1.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  6-methyl-2-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    4730-22-7
! inchikey: FCOUHTHQYOMLJT-UHFFFAOYSA-N
Hvpx____4730_22_7 =  3.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____4730_22_7 =  1.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-methyl-3-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    18720-62-2
! inchikey: QGVFLDUEHSIZIG-UHFFFAOYSA-N
Hvpx___18720_62_2 =  1.4E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-methyl-3-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    5582-82-1
! inchikey: PQOSNJHBSNZITJ-UHFFFAOYSA-N
Hvpx____5582_82_1 =  1.9E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-3-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    14979-39-6
! inchikey: BKQICAFAUMRYLZ-UHFFFAOYSA-N
Hvpx___14979_39_6 =  7.4E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14979_39_6 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___14979_39_6 =  6.6E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___14979_39_6 =  1.0E+00                                  ! [atm] type: Q, ref: 1115

! species:  5-methyl-3-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    18720-65-5
! inchikey: SECKOSOTZOBWEI-UHFFFAOYSA-N
Hvpx___18720_65_5 =  6.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18720_65_5 =  8.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___18720_65_5 =  6.9E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___18720_65_5 =  9.8E-01                                  ! [atm] type: Q, ref: 1115

! species:  6-methyl-3-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    18720-66-6
! inchikey: MNBIBGDICHMQFN-UHFFFAOYSA-N
Hvpx___18720_66_6 =  6.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18720_66_6 =  6.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___18720_66_6 =  6.9E+00                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    21570-35-4
! inchikey: QXPLZEKPCGUWEM-UHFFFAOYSA-N
Hvpx___21570_35_4 =  1.4E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-methyl-4-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    1838-73-9
! inchikey: JMRDKKYZLXDPLN-UHFFFAOYSA-N
Hvpx____1838_73_9 =  6.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1838_73_9 =  8.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____1838_73_9 =  6.6E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____1838_73_9 =  1.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-4-heptanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    598-01-6
! inchikey: IQXKGRKRIRMQCQ-UHFFFAOYSA-N
Hvpx_____598_01_6 =  1.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-ethyl-1-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    104-76-7
! inchikey: YIWUKEYIRIRTPP-UHFFFAOYSA-N
Hvpx_____104_76_7 =  1.2E+00                                  ! [atm] type: L, ref: 3673
Hvpx_____104_76_7 =  3.5E+00 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3719
Hvpx_____104_76_7 =  1.5E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____104_76_7 =  1.4E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____104_76_7 =  9.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____104_76_7 =  7.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____104_76_7 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____104_76_7 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____104_76_7 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____104_76_7 =  1.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____104_76_7 =  1.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____104_76_7 =  5.0E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____104_76_7 =  1.3E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____104_76_7 =  1.3E+01                                  ! [atm] type: ?, ref: 2440

! species:  3-ethyl-1-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    41065-95-6
! inchikey: LWWJDXKGQVEZKT-UHFFFAOYSA-N
Hvpx___41065_95_6 =  7.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___41065_95_6 =  5.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___41065_95_6 =  7.3E+00                                  ! [atm] type: Q, ref: 3579

! species:  4-ethyl-1-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    66576-32-7
! inchikey: RLGDVTUGYZAYIX-UHFFFAOYSA-N
Hvpx___66576_32_7 =  7.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66576_32_7 =  5.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66576_32_7 =  7.3E+00                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-1-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    2370-13-0
! inchikey: GSSDZVRLQDXOPL-UHFFFAOYSA-N
Hvpx____2370_13_0 =  1.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,3-dimethyl-1-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: HIYTVAULOHUDEC-UHFFFAOYSA-N
Hvpx_HIYTVAULOHUDEC_UHFFFAOYSA_N =  7.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_HIYTVAULOHUDEC_UHFFFAOYSA_N =  9.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_HIYTVAULOHUDEC_UHFFFAOYSA_N =  8.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-1-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    3965-59-1
! inchikey: GDRBQWCGBCJTLB-UHFFFAOYSA-N
Hvpx____3965_59_1 =  7.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3965_59_1 =  9.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____3965_59_1 =  8.1E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____3965_59_1 =  1.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,5-dimethyl-1-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    6886-16-4
! inchikey: OBOHUKJIPIBYTA-UHFFFAOYSA-N
Hvpx____6886_16_4 =  8.4E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6886_16_4 =  8.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____6886_16_4 =  8.1E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____6886_16_4 =  1.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  3,3-dimethyl-1-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    10524-70-6
! inchikey: RAKYQWCHMSXUEG-UHFFFAOYSA-N
Hvpx___10524_70_6 =  9.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___10524_70_6 =  5.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___10524_70_6 =  7.6E+00                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-1-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    66576-57-6
! inchikey: QVFKMROLPSPCIX-UHFFFAOYSA-N
Hvpx___66576_57_6 =  8.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66576_57_6 =  5.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66576_57_6 =  7.9E+00                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyl-1-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    13501-73-0
! inchikey: WETBJXIDTZXCBL-UHFFFAOYSA-N
Hvpx___13501_73_0 =  9.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13501_73_0 =  5.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___13501_73_0 =  7.9E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___13501_73_0 =  1.5E+00                                  ! [atm] type: Q, ref: 1115

! species:  4,4-dimethyl-1-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    6481-95-4
! inchikey: VZWIUKUDEGQHIO-UHFFFAOYSA-N
Hvpx____6481_95_4 =  9.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6481_95_4 =  5.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____6481_95_4 =  7.6E+00                                  ! [atm] type: Q, ref: 3579

! species:  4,5-dimethyl-1-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    60564-76-3
! inchikey: QABJATQYUASJEM-UHFFFAOYSA-N
Hvpx___60564_76_3 =  8.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60564_76_3 =  5.4E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___60564_76_3 =  7.9E+00                                  ! [atm] type: Q, ref: 3579

! species:  5,5-dimethyl-1-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    2768-18-5
! inchikey: QYFVEEMPFRRFNN-UHFFFAOYSA-N
Hvpx____2768_18_5 =  9.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2768_18_5 =  5.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____2768_18_5 =  7.6E+00                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-2-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    24448-19-9
! inchikey: YBQZSEZVMFENOM-UHFFFAOYSA-N
Hvpx___24448_19_9 =  7.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___24448_19_9 =  5.4E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___24448_19_9 =  6.9E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___24448_19_9 =  9.7E-01                                  ! [atm] type: Q, ref: 1115

! species:  4-ethyl-2-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: ALAPJJMGVQNJIU-UHFFFAOYSA-N
Hvpx_ALAPJJMGVQNJIU_UHFFFAOYSA_N =  7.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_ALAPJJMGVQNJIU_UHFFFAOYSA_N =  3.7E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_ALAPJJMGVQNJIU_UHFFFAOYSA_N =  7.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-2-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    19550-03-9
! inchikey: BFKOEFFCVFMWPF-UHFFFAOYSA-N
Hvpx___19550_03_9 =  7.8E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,4-dimethyl-2-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    42328-76-7
! inchikey: RTRZHEPXWQXCCI-UHFFFAOYSA-N
Hvpx___42328_76_7 =  6.1E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,5-dimethyl-2-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    3730-60-7
! inchikey: JPUIYNHIEXIFMV-UHFFFAOYSA-N
Hvpx____3730_60_7 =  6.4E-01                                  ! [atm] type: Q, ref: 1115

! species:  3,3-dimethyl-2-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    22025-20-3
! inchikey: LTTHCWFPLXSQOD-UHFFFAOYSA-N
Hvpx___22025_20_3 =  7.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___22025_20_3 =  9.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___22025_20_3 =  7.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-2-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    19550-05-1
! inchikey: LBJWJHMCZHKLQU-UHFFFAOYSA-N
Hvpx___19550_05_1 =  8.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19550_05_1 =  4.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___19550_05_1 =  7.1E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___19550_05_1 =  1.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  3,5-dimethyl-2-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    66576-27-0
! inchikey: VGGMROOHXNLMTP-UHFFFAOYSA-N
Hvpx___66576_27_0 =  6.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66576_27_0 =  6.7E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66576_27_0 =  7.1E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___66576_27_0 =  7.8E-01                                  ! [atm] type: Q, ref: 1115

! species:  4,4-dimethyl-2-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: CJGWLHDFPXIKQX-UHFFFAOYSA-N
Hvpx_CJGWLHDFPXIKQX_UHFFFAOYSA_N =  7.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_CJGWLHDFPXIKQX_UHFFFAOYSA_N =  4.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_CJGWLHDFPXIKQX_UHFFFAOYSA_N =  7.4E+00                                  ! [atm] type: Q, ref: 3579

! species:  4,5-dimethyl-2-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: KHSOOQUMPPYGAW-UHFFFAOYSA-N
Hvpx_KHSOOQUMPPYGAW_UHFFFAOYSA_N =  6.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_KHSOOQUMPPYGAW_UHFFFAOYSA_N =  4.4E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_KHSOOQUMPPYGAW_UHFFFAOYSA_N =  7.3E+00                                  ! [atm] type: Q, ref: 3579

! species:  5,5-dimethyl-2-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    31841-77-7
! inchikey: NMSUCVXVCHZTEH-UHFFFAOYSA-N
Hvpx___31841_77_7 =  8.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___31841_77_7 =  3.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___31841_77_7 =  7.4E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___31841_77_7 =  9.2E-01                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-3-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    597-76-2
! inchikey: WNDLTOTUHMHNOC-UHFFFAOYSA-N
Hvpx_____597_76_2 =  7.6E-01                                  ! [atm] type: Q, ref: 1115

! species:  4-ethyl-3-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    19780-44-0
! inchikey: BOJLCKCCKQMGKD-UHFFFAOYSA-N
Hvpx___19780_44_0 =  4.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19780_44_0 =  6.6E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___19780_44_0 =  8.7E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,2-dimethyl-3-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    4209-90-9
! inchikey: PFHLGQKVKALLMD-UHFFFAOYSA-N
Hvpx____4209_90_9 =  8.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4209_90_9 =  1.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____4209_90_9 =  6.8E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____4209_90_9 =  7.0E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,3-dimethyl-3-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    4166-46-5
! inchikey: CGWJMIUMPDDHQC-UHFFFAOYSA-N
Hvpx____4166_46_5 =  7.4E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,4-dimethyl-3-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    13432-25-2
! inchikey: UCRQJBCLZKHOGX-UHFFFAOYSA-N
Hvpx___13432_25_2 =  7.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13432_25_2 =  1.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___13432_25_2 =  6.8E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___13432_25_2 =  7.8E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,5-dimethyl-3-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    19550-07-3
! inchikey: SNKTZHPOKPYBPT-UHFFFAOYSA-N
Hvpx___19550_07_3 =  7.6E-01                                  ! [atm] type: Q, ref: 1115

! species:  3,4-dimethyl-3-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    19550-08-4
! inchikey: FJXOYCIYKQJAAF-UHFFFAOYSA-N
Hvpx___19550_08_4 =  6.3E-01                                  ! [atm] type: Q, ref: 1115

! species:  3,5-dimethyl-3-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    4209-91-0
! inchikey: INMGJWCKWKKMPN-UHFFFAOYSA-N
Hvpx____4209_91_0 =  6.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4209_91_0 =  3.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____4209_91_0 =  7.4E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____4209_91_0 =  6.3E-01                                  ! [atm] type: Q, ref: 1115

! species:  4,4-dimethyl-3-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    19550-09-5
! inchikey: BARKHVPKOOSMNW-UHFFFAOYSA-N
Hvpx___19550_09_5 =  7.6E-01                                  ! [atm] type: Q, ref: 1115

! species:  4,5-dimethyl-3-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: UAVZZCGGBCLHIP-UHFFFAOYSA-N
Hvpx_UAVZZCGGBCLHIP_UHFFFAOYSA_N =  6.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_UAVZZCGGBCLHIP_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_UAVZZCGGBCLHIP_UHFFFAOYSA_N =  6.9E+00                                  ! [atm] type: Q, ref: 3579

! species:  5,5-dimethyl-3-hexanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    66576-31-6
! inchikey: NPZRPUOKIPAIEL-UHFFFAOYSA-N
Hvpx___66576_31_6 =  6.5E-01                                  ! [atm] type: Q, ref: 1115

! species:  2-propyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    58175-57-8
! inchikey: LASHFHLFDRTERB-UHFFFAOYSA-N
Hvpx___58175_57_8 =  1.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-ethyl-2-methyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    5970-63-8
! inchikey: VZCOFGHOKLEMPL-UHFFFAOYSA-N
Hvpx____5970_63_8 =  1.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-ethyl-3-methyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: ALPFTHGDLMTYRM-UHFFFAOYSA-N
Hvpx_ALPFTHGDLMTYRM_UHFFFAOYSA_N =  8.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_ALPFTHGDLMTYRM_UHFFFAOYSA_N =  9.1E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_ALPFTHGDLMTYRM_UHFFFAOYSA_N =  8.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  2-ethyl-4-methyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    106-67-2
! inchikey: QCHSJPKDWOFACC-UHFFFAOYSA-N
Hvpx_____106_67_2 =  1.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-2-methyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: VWQDMMBTEFDWNM-UHFFFAOYSA-N
Hvpx_VWQDMMBTEFDWNM_UHFFFAOYSA_N =  7.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_VWQDMMBTEFDWNM_UHFFFAOYSA_N =  9.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_VWQDMMBTEFDWNM_UHFFFAOYSA_N =  8.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-3-methyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    10524-71-7
! inchikey: XYUCPYMMHKJJSS-UHFFFAOYSA-N
Hvpx___10524_71_7 =  8.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___10524_71_7 =  6.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___10524_71_7 =  7.6E+00                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-4-methyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    38514-13-5
! inchikey: RWIFVESHBHTZEM-UHFFFAOYSA-N
Hvpx___38514_13_5 =  7.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___38514_13_5 =  6.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___38514_13_5 =  7.9E+00                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3-trimethyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    57409-53-7
! inchikey: GBONVOIRPAJSLA-UHFFFAOYSA-N
Hvpx___57409_53_7 =  1.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,2,4-trimethyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    123-44-4
! inchikey: CWPPDTVYIJETDF-UHFFFAOYSA-N
Hvpx_____123_44_4 =  9.8E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,3,3-trimethyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: LFRFDOWJBYDJGD-UHFFFAOYSA-N
Hvpx_LFRFDOWJBYDJGD_UHFFFAOYSA_N =  9.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_LFRFDOWJBYDJGD_UHFFFAOYSA_N =  9.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_LFRFDOWJBYDJGD_UHFFFAOYSA_N =  8.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4-trimethyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    6570-88-3
! inchikey: PAZDSSMTPLLLIR-UHFFFAOYSA-N
Hvpx____6570_88_3 =  9.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6570_88_3 =  7.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____6570_88_3 =  8.7E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____6570_88_3 =  1.5E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,4,4-trimethyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    16325-63-6
! inchikey: ZNRVRWHPZZOTIE-UHFFFAOYSA-N
Hvpx___16325_63_6 =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___16325_63_6 =  1.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  3,3,4-trimethyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: OIPMJJVCOSACDS-UHFFFAOYSA-N
Hvpx_OIPMJJVCOSACDS_UHFFFAOYSA_N =  8.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_OIPMJJVCOSACDS_UHFFFAOYSA_N =  7.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_OIPMJJVCOSACDS_UHFFFAOYSA_N =  7.9E+00                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4-trimethyl-1-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    16325-64-7
! inchikey: FQNYRSRCONKFCN-UHFFFAOYSA-N
Hvpx___16325_64_7 =  8.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16325_64_7 =  7.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___16325_64_7 =  7.9E+00                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-2-methyl-2-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    19780-63-3
! inchikey: FRUMTAZIGSJVOJ-UHFFFAOYSA-N
Hvpx___19780_63_3 =  7.3E-01                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-4-methyl-2-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    66576-23-6
! inchikey: PFRFNYYIOSQSDD-UHFFFAOYSA-N
Hvpx___66576_23_6 =  7.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66576_23_6 =  6.0E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66576_23_6 =  7.1E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___66576_23_6 =  8.7E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,3,3-trimethyl-2-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    23171-85-9
! inchikey: FBWWGYIEJGQWJP-UHFFFAOYSA-N
Hvpx___23171_85_9 =  6.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___23171_85_9 =  4.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___23171_85_9 =  8.0E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___23171_85_9 =  7.8E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,3,4-trimethyl-2-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    66576-26-9
! inchikey: FTPXXARYDFWPGE-UHFFFAOYSA-N
Hvpx___66576_26_9 =  7.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66576_26_9 =  3.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66576_26_9 =  7.9E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___66576_26_9 =  7.4E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,4,4-trimethyl-2-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    690-37-9
! inchikey: BSYJHYLAMMJNRC-UHFFFAOYSA-N
Hvpx_____690_37_9 =  5.5E-01                                  ! [atm] type: Q, ref: 1115

! species:  3,3,4-trimethyl-2-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    19411-41-7
! inchikey: BOBYQFFCQPQLOB-UHFFFAOYSA-N
Hvpx___19411_41_7 =  8.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19411_41_7 =  8.4E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___19411_41_7 =  7.3E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___19411_41_7 =  8.9E-01                                  ! [atm] type: Q, ref: 1115

! species:  3,4,4-trimethyl-2-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    10575-56-1
! inchikey: MXDGSCZQIMQLII-UHFFFAOYSA-N
Hvpx___10575_56_1 =  7.4E-01                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-2-methyl-3-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    597-05-7
! inchikey: DMHIJUVUPKCGLJ-UHFFFAOYSA-N
Hvpx_____597_05_7 =  7.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____597_05_7 =  6.7E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____597_05_7 =  7.0E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____597_05_7 =  7.8E-01                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-3-methyl-2-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    66576-22-5
! inchikey: SLBLSROGXMXPPF-UHFFFAOYSA-N
Hvpx___66576_22_5 =  7.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66576_22_5 =  9.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66576_22_5 =  7.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3-trimethyl-3-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    7294-05-5
! inchikey: KLIHWYNSISMOMR-UHFFFAOYSA-N
Hvpx____7294_05_5 =  4.7E-01                                  ! [atm] type: Q, ref: 2535
Hvpx____7294_05_5 =  5.1E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,2,4-trimethyl-3-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    5162-48-1
! inchikey: AXINNNJHLJWMTC-UHFFFAOYSA-N
Hvpx____5162_48_1 =  6.2E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,3,4-trimethyl-3-pentanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    3054-92-0
! inchikey: PLSMHHUFDLYURK-UHFFFAOYSA-N
Hvpx____3054_92_0 =  8.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3054_92_0 =  7.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____3054_92_0 =  7.7E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____3054_92_0 =  7.2E-01                                  ! [atm] type: Q, ref: 1115

! species:  3-methyl-2-(1-methylethyl)-1-butanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    18593-92-5
! inchikey: IDGDEUZERZKYHG-UHFFFAOYSA-N
Hvpx___18593_92_5 =  8.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18593_92_5 =  1.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___18593_92_5 =  8.7E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___18593_92_5 =  1.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,2,3,3-tetramethyl-1-butanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    66576-24-7
! inchikey: OCTRJUXIYWWVAR-UHFFFAOYSA-N
Hvpx___66576_24_7 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66576_24_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66576_24_7 =  8.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  2,2-diethyl-1-butanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    13023-60-4
! inchikey: CBHXDVOSUKFRBE-UHFFFAOYSA-N
Hvpx___13023_60_4 =  8.4E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13023_60_4 =  1.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___13023_60_4 =  7.8E+00                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-2-ethyl-1-butanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: YPIJDMPDVZUWJO-UHFFFAOYSA-N
Hvpx_YPIJDMPDVZUWJO_UHFFFAOYSA_N =  9.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_YPIJDMPDVZUWJO_UHFFFAOYSA_N =  1.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_YPIJDMPDVZUWJO_UHFFFAOYSA_N =  8.3E+00                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-2-ethyl-1-butanol
! formula:  C_8H_{18}O
! trivial:  
! casrn:    66576-56-5
! inchikey: WOVMYJCSCISMAU-UHFFFAOYSA-N
Hvpx___66576_56_5 =  9.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66576_56_5 =  1.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66576_56_5 =  8.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  2-(hexyloxy)-ethanol
! formula:  C_8H_{18}O_2
! trivial:  
! casrn:    112-25-4
! inchikey: UPGSWASWQBLSKZ-UHFFFAOYSA-N
Hvpx_____112_25_4 =  1.7E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____112_25_4 =  6.5E-02                                  ! [atm] type: Q, ref: 3586

! species:  1-nonanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    143-08-8
! inchikey: ZWRUINPWMLAQRD-UHFFFAOYSA-N
Hvpx_____143_08_8 =  2.0E+00 * EXP(  -9300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____143_08_8 =  5.0E+00 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2999
Hvpx_____143_08_8 =  4.0E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2997
Hvpx_____143_08_8 =  1.7E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____143_08_8 =  1.7E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____143_08_8 =  1.9E+00                                  ! [atm] type: V, ref: 1497
Hvpx_____143_08_8 =  1.4E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____143_08_8 =  1.6E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____143_08_8 =  1.0E+00                                  ! [atm] type: Q, ref: 3521
Hvpx_____143_08_8 =  3.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____143_08_8 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____143_08_8 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____143_08_8 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____143_08_8 =  2.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____143_08_8 =  1.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____143_08_8 =  1.7E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____143_08_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____143_08_8 =  5.4E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____143_08_8 =  1.8E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____143_08_8 =  1.7E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____143_08_8 =  1.8E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____143_08_8 =  9.2E-01                                  ! [atm] type: ?, ref: 789
Hvpx_____143_08_8 =  1.9E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-nonanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    628-99-9
! inchikey: NGDNVOAEIVQRFH-UHFFFAOYSA-N
Hvpx_____628_99_9 =  2.6E+00 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____628_99_9 =  8.4E+00                                  ! [atm] type: M, ref: 3643
Hvpx_____628_99_9 =  1.1E+00                                  ! [atm] type: M, ref: 3670
Hvpx_____628_99_9 =  7.9E+00                                  ! [atm] type: M, ref: 3611
Hvpx_____628_99_9 =  2.7E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____628_99_9 =  9.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____628_99_9 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_99_9 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_99_9 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_99_9 =  2.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____628_99_9 =  2.6E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____628_99_9 =  1.0E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____628_99_9 =  2.7E+00                                  ! [atm] type: ?, ref: 2440

! species:  3-nonanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    624-51-1
! inchikey: GYSCXPVAKHVAAY-UHFFFAOYSA-N
Hvpx_____624_51_1 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____624_51_1 =  5.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____624_51_1 =  2.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____624_51_1 =  2.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____624_51_1 =  6.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____624_51_1 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____624_51_1 =  1.8E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-nonanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    5932-79-6
! inchikey: IXUOEGRSQCCEHB-UHFFFAOYSA-N
Hvpx____5932_79_6 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5932_79_6 =  6.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____5932_79_6 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____5932_79_6 =  1.7E+00                                  ! [atm] type: Q, ref: 1115

! species:  5-nonanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    623-93-8
! inchikey: FCBBRODPXVPZAH-UHFFFAOYSA-N
Hvpx_____623_93_8 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____623_93_8 =  6.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____623_93_8 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____623_93_8 =  1.9E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-methyl-1-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    818-81-5
! inchikey: IGVGCQGTEINVOH-UHFFFAOYSA-N
Hvpx_____818_81_5 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____818_81_5 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____818_81_5 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-1-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    38514-02-2
! inchikey: CLFSZAMBOZSCOS-UHFFFAOYSA-N
Hvpx___38514_02_2 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___38514_02_2 =  8.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___38514_02_2 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-1-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    38514-03-3
! inchikey: MWWKESKJRHQWEF-UHFFFAOYSA-N
Hvpx___38514_03_3 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___38514_03_3 =  8.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___38514_03_3 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-1-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    38514-04-4
! inchikey: CGCDFYUPZXVGIX-UHFFFAOYSA-N
Hvpx___38514_04_4 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___38514_04_4 =  8.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___38514_04_4 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  6-methyl-1-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    38514-05-5
! inchikey: WWRGKAMABZHMCN-UHFFFAOYSA-N
Hvpx___38514_05_5 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___38514_05_5 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___38514_05_5 =  2.7E+00                                  ! [atm] type: Q, ref: 1115

! species:  7-methyl-1-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    2430-22-0
! inchikey: QDTDKYHPHANITQ-UHFFFAOYSA-N
Hvpx____2430_22_0 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2430_22_0 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____2430_22_0 =  2.7E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-methyl-2-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    628-44-4
! inchikey: KBCNUEXDHWDIFX-UHFFFAOYSA-N
Hvpx_____628_44_4 =  9.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____628_44_4 =  3.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____628_44_4 =  1.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____628_44_4 =  1.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-methyl-2-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    27644-49-1
! inchikey: WQADSKJNOTZWML-UHFFFAOYSA-N
Hvpx___27644_49_1 =  9.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___27644_49_1 =  9.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___27644_49_1 =  1.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-2-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-81-5
! inchikey: IWFICVXFFNDWOJ-UHFFFAOYSA-N
Hvpx___66793_81_5 =  9.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_81_5 =  6.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_81_5 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  7-methyl-2-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-83-7
! inchikey: NOEKZKTXHKNMAQ-UHFFFAOYSA-N
Hvpx___66793_83_7 =  9.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_83_7 =  6.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_83_7 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    26533-34-6
! inchikey: DIVBBSLQUDHECU-UHFFFAOYSA-N
Hvpx___26533_34_6 =  9.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___26533_34_6 =  1.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___26533_34_6 =  9.9E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___26533_34_6 =  1.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-methyl-3-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    5340-36-3
! inchikey: JEWXYDDSLPIBBO-UHFFFAOYSA-N
Hvpx____5340_36_3 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5340_36_3 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5340_36_3 =  4.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____5340_36_3 =  3.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____5340_36_3 =  9.8E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____5340_36_3 =  9.8E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____5340_36_3 =  1.5E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-3-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-80-4
! inchikey: XPWBBDBJJRZCPW-UHFFFAOYSA-N
Hvpx___66793_80_4 =  9.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_80_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_80_4 =  9.9E+00                                  ! [atm] type: Q, ref: 3579

! species:  6-methyl-3-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    40225-75-0
! inchikey: MFYHIHFYDULUQP-UHFFFAOYSA-N
Hvpx___40225_75_0 =  9.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___40225_75_0 =  8.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___40225_75_0 =  1.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  7-methyl-3-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-84-8
! inchikey: IDCFJIMYNKBKMB-UHFFFAOYSA-N
Hvpx___66793_84_8 =  9.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_84_8 =  8.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_84_8 =  1.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    40575-41-5
! inchikey: BIAVIOIDPRPYJK-UHFFFAOYSA-N
Hvpx___40575_41_5 =  9.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___40575_41_5 =  8.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___40575_41_5 =  1.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___40575_41_5 =  1.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-methyl-4-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    26533-35-7
! inchikey: MJOKZMZDONULOD-UHFFFAOYSA-N
Hvpx___26533_35_7 =  8.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___26533_35_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___26533_35_7 =  9.9E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___26533_35_7 =  1.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-4-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    23418-37-3
! inchikey: RXSIKQJQLQRQQY-UHFFFAOYSA-N
Hvpx___23418_37_3 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___23418_37_3 =  4.4E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___23418_37_3 =  9.8E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___23418_37_3 =  1.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  5-methyl-4-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    59734-23-5
! inchikey: YLTHHPQUTLMNIF-UHFFFAOYSA-N
Hvpx___59734_23_5 =  9.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___59734_23_5 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___59734_23_5 =  9.9E+00                                  ! [atm] type: Q, ref: 3579

! species:  6-methyl-4-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-82-6
! inchikey: KFRCBGHGDZSOJV-UHFFFAOYSA-N
Hvpx___66793_82_6 =  9.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_82_6 =  9.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_82_6 =  1.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  7-methyl-4-octanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    33933-77-6
! inchikey: KJMBBHZOLRRVMV-UHFFFAOYSA-N
Hvpx___33933_77_6 =  9.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___33933_77_6 =  9.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___33933_77_6 =  1.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  2-ethyl-1-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    817-60-7
! inchikey: QNJAZNNWHWYOEO-UHFFFAOYSA-N
Hvpx_____817_60_7 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____817_60_7 =  1.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____817_60_7 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-1-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    3525-25-5
! inchikey: VRZRVMXNGMZLDB-UHFFFAOYSA-N
Hvpx____3525_25_5 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3525_25_5 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____3525_25_5 =  2.8E+00                                  ! [atm] type: Q, ref: 1115

! species:  5-ethyl-1-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    998-65-2
! inchikey: GOJBFVJUMYSMJJ-UHFFFAOYSA-N
Hvpx_____998_65_2 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____998_65_2 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-2-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    19780-39-3
! inchikey: MMQDVLWWGWJSFS-UHFFFAOYSA-N
Hvpx___19780_39_3 =  9.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19780_39_3 =  7.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___19780_39_3 =  9.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___19780_39_3 =  1.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-3-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    19780-41-7
! inchikey: XKRZDNKKANUBPV-UHFFFAOYSA-N
Hvpx___19780_41_7 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19780_41_7 =  6.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___19780_41_7 =  9.3E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___19780_41_7 =  1.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-ethyl-4-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    597-90-0
! inchikey: GNROHGFUVTWFNG-UHFFFAOYSA-N
Hvpx_____597_90_0 =  9.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____597_90_0 =  6.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____597_90_0 =  9.3E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____597_90_0 =  1.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,2-dimethyl-1-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    14250-79-4
! inchikey: WENIXZFPXMQPQQ-UHFFFAOYSA-N
Hvpx___14250_79_4 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14250_79_4 =  2.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___14250_79_4 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___14250_79_4 =  1.7E+00                                  ! [atm] type: Q, ref: 1115

! species:  4,6-dimethyl-1-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    820-05-3
! inchikey: GCBXGQPBCBPHSP-UHFFFAOYSA-N
Hvpx_____820_05_3 =  9.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____820_05_3 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____820_05_3 =  1.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  6,6-dimethyl-1-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    65769-10-0
! inchikey: IOFUAVGBFVXDAO-UHFFFAOYSA-N
Hvpx___65769_10_0 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___65769_10_0 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___65769_10_0 =  1.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-2-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66794-00-1
! inchikey: PQSMEVPHTJECDZ-UHFFFAOYSA-N
Hvpx___66794_00_1 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66794_00_1 =  4.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66794_00_1 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-2-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    65822-93-7
! inchikey: VORBOMMQBCSRQF-UHFFFAOYSA-N
Hvpx___65822_93_7 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___65822_93_7 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-2-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    1561-18-8
! inchikey: LVIFBEPHIBJBEU-UHFFFAOYSA-N
Hvpx____1561_18_8 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1561_18_8 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyl-2-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    13254-34-7
! inchikey: HGDVHRITTGWMJK-UHFFFAOYSA-N
Hvpx___13254_34_7 =  9.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13254_34_7 =  3.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___13254_34_7 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___13254_34_7 =  9.4E-01                                  ! [atm] type: Q, ref: 1115

! species:  4,6-dimethyl-2-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    51079-52-8
! inchikey: YYUGBYFBCFRGNZ-UHFFFAOYSA-N
Hvpx___51079_52_8 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___51079_52_8 =  4.4E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___51079_52_8 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___51079_52_8 =  1.8E+00                                  ! [atm] type: Q, ref: 1115

! species:  5,6-dimethyl-2-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    58795-24-7
! inchikey: ONBXNGYZXZBRJA-UHFFFAOYSA-N
Hvpx___58795_24_7 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___58795_24_7 =  4.7E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___58795_24_7 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___58795_24_7 =  1.7E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,2-dimethyl-3-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    19549-70-3
! inchikey: QENWAAAGDINHGE-UHFFFAOYSA-N
Hvpx___19549_70_3 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19549_70_3 =  2.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___19549_70_3 =  9.9E+00                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-3-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    19549-71-4
! inchikey: JIEGVNXCNNWVPH-UHFFFAOYSA-N
Hvpx___19549_71_4 =  9.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19549_71_4 =  7.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___19549_71_4 =  1.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___19549_71_4 =  1.0E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,6-dimethyl-3-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    19549-73-6
! inchikey: XZDMJRIWJSNEGC-UHFFFAOYSA-N
Hvpx___19549_73_6 =  9.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19549_73_6 =  1.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___19549_73_6 =  1.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___19549_73_6 =  1.0E+00                                  ! [atm] type: Q, ref: 1115

! species:  3,5-dimethyl-3-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    19549-74-7
! inchikey: NOSOEGQGQOMHBF-UHFFFAOYSA-N
Hvpx___19549_74_7 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19549_74_7 =  4.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___19549_74_7 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-4-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-99-5
! inchikey: ZIKNXBYJTDTRQA-UHFFFAOYSA-N
Hvpx___66793_99_5 =  9.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_99_5 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_99_5 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66793_99_5 =  1.0E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,4-dimethyl-4-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    19549-77-0
! inchikey: QKRRAXACNUNGCF-UHFFFAOYSA-N
Hvpx___19549_77_0 =  9.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19549_77_0 =  5.7E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___19549_77_0 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___19549_77_0 =  9.5E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,5-dimethyl-4-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: NXLQTSHQSAVKJB-UHFFFAOYSA-N
Hvpx_NXLQTSHQSAVKJB_UHFFFAOYSA_N =  3.5E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,6-dimethyl-4-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    108-82-7
! inchikey: HXQPUEQDBSPXTE-UHFFFAOYSA-N
Hvpx_____108_82_7 =  5.4E+00 * EXP(  -9300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_82_7 =  7.1E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____108_82_7 =  6.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_82_7 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_82_7 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_82_7 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_82_7 =  3.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_82_7 =  1.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_82_7 =  3.5E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_82_7 =  3.2E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____108_82_7 =  3.2E+00                                  ! [atm] type: ?, ref: 2440

! species:  3,3-dimethyl-4-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    19549-78-1
! inchikey: UGAZGYFCTFGQQH-UHFFFAOYSA-N
Hvpx___19549_78_1 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19549_78_1 =  2.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___19549_78_1 =  9.9E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___19549_78_1 =  2.5E+00                                  ! [atm] type: Q, ref: 1115

! species:  3,5-dimethyl-4-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    19549-79-2
! inchikey: ZKXITRNXHWEQJU-UHFFFAOYSA-N
Hvpx___19549_79_2 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19549_79_2 =  1.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___19549_79_2 =  9.7E+00                                  ! [atm] type: Q, ref: 3579

! species:  3,6-dimethyl-3-heptanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    1573-28-0
! inchikey: HVPGGLNDHUWMLS-UHFFFAOYSA-N
Hvpx____1573_28_0 =  8.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1573_28_0 =  5.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____1573_28_0 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  2-ethyl-3-methyl-1-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66794-04-5
! inchikey: DXXCMAAACWSRPE-UHFFFAOYSA-N
Hvpx___66794_04_5 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66794_04_5 =  1.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66794_04_5 =  1.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  2-ethyl-4-methyl-1-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66794-06-7
! inchikey: NRZVENBFUFCASY-UHFFFAOYSA-N
Hvpx___66794_06_7 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66794_06_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66794_06_7 =  1.2E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66794_06_7 =  4.5E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-ethyl-5-methyl-1-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66794-07-8
! inchikey: KVJOUCNJVQBRAO-UHFFFAOYSA-N
Hvpx___66794_07_8 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66794_07_8 =  1.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66794_07_8 =  1.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-1-methyl-1-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: YNZQSDTXBBBFQH-UHFFFAOYSA-N
Hvpx_YNZQSDTXBBBFQH_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_YNZQSDTXBBBFQH_UHFFFAOYSA_N =  4.7E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_YNZQSDTXBBBFQH_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-2-methyl-1-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66794-01-2
! inchikey: UDZCUJOKBNABRS-UHFFFAOYSA-N
Hvpx___66794_01_2 =  4.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  3,3,5-trimethyl-1-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    1484-87-3
! inchikey: HRXNWQMMTLLJJQ-UHFFFAOYSA-N
Hvpx____1484_87_3 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1484_87_3 =  9.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____1484_87_3 =  1.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4-trimethyl-1-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-73-5
! inchikey: OLRPKAJSAOYYCY-UHFFFAOYSA-N
Hvpx___66793_73_5 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_73_5 =  1.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_73_5 =  1.2E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66793_73_5 =  4.0E+00                                  ! [atm] type: Q, ref: 1115

! species:  3,5,5-trimethyl-1-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    3452-97-9
! inchikey: BODRLKRKPXBDBN-UHFFFAOYSA-N
Hvpx____3452_97_9 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3452_97_9 =  9.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____3452_97_9 =  1.2E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____3452_97_9 =  4.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  4,5,5-trimethyl-1-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-75-7
! inchikey: IECJUMYEWJOKHM-UHFFFAOYSA-N
Hvpx___66793_75_7 =  1.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_75_7 =  7.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_75_7 =  1.2E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66793_75_7 =  5.8E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-propyl-1-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    817-46-9
! inchikey: JSUXZEJWGVYJJG-UHFFFAOYSA-N
Hvpx_____817_46_9 =  9.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____817_46_9 =  1.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____817_46_9 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-propyl-1-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-85-9
! inchikey: MHJIVMDBOGBUHH-UHFFFAOYSA-N
Hvpx___66793_85_9 =  9.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_85_9 =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_85_9 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-2-methyl-2-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66794-02-3
! inchikey: HTOYXTGJEOUKPM-UHFFFAOYSA-N
Hvpx___66794_02_3 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66794_02_3 =  4.7E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66794_02_3 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66794_02_3 =  2.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,3,4-trimethyl-2-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    21102-13-6
! inchikey: JTOONBKGYWVPOY-UHFFFAOYSA-N
Hvpx___21102_13_6 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___21102_13_6 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4-trimethyl-2-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-91-7
! inchikey: QMEHJTXRYVSFES-UHFFFAOYSA-N
Hvpx___66793_91_7 =  1.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_91_7 =  1.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,4,5-trimethyl-2-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-93-9
! inchikey: CIVZBWYMPDUPSQ-UHFFFAOYSA-N
Hvpx___66793_93_9 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_93_9 =  1.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,5,5-trimethyl-2-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-71-3
! inchikey: ASOCSFZHADJKFU-UHFFFAOYSA-N
Hvpx___66793_71_3 =  1.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_71_3 =  1.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-2-methyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66794-03-4
! inchikey: VUMFTWNZYFBYEB-UHFFFAOYSA-N
Hvpx___66794_03_4 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66794_03_4 =  8.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66794_03_4 =  9.8E+00                                  ! [atm] type: Q, ref: 3579
Hvpx___66794_03_4 =  3.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-4-methyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    51200-80-7
! inchikey: YOCLWWFBEJQTBM-UHFFFAOYSA-N
Hvpx___51200_80_7 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___51200_80_7 =  1.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___51200_80_7 =  9.8E+00                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-5-methyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    597-77-3
! inchikey: RMBUNHOAKTUXTC-UHFFFAOYSA-N
Hvpx_____597_77_3 =  9.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____597_77_3 =  8.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____597_77_3 =  1.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____597_77_3 =  2.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-ethyl-2-methyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    33943-21-4
! inchikey: GBUYIUMHXYBONU-UHFFFAOYSA-N
Hvpx___33943_21_4 =  9.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___33943_21_4 =  2.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___33943_21_4 =  9.7E+00                                  ! [atm] type: Q, ref: 3579

! species:  4-ethyl-3-methyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66794-05-6
! inchikey: DUGZCTGTSJAPCV-UHFFFAOYSA-N
Hvpx___66794_05_6 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66794_05_6 =  6.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66794_05_6 =  1.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3-trimethyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    5340-41-0
! inchikey: DHNHHYWBZNQHGN-UHFFFAOYSA-N
Hvpx____5340_41_0 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5340_41_0 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____5340_41_0 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____5340_41_0 =  2.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,2,4-trimethyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-89-3
! inchikey: YMBVVPXERVAJTB-UHFFFAOYSA-N
Hvpx___66793_89_3 =  9.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_89_3 =  1.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66793_89_3 =  2.0E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,2,5-trimethyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    3970-60-3
! inchikey: UCLXUUYVWJKXIK-UHFFFAOYSA-N
Hvpx____3970_60_3 =  8.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3970_60_3 =  1.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____3970_60_3 =  1.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,3,4-trimethyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-90-6
! inchikey: LTKHKGAPVGSECA-UHFFFAOYSA-N
Hvpx___66793_90_6 =  9.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_90_6 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5-trimethyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    65927-60-8
! inchikey: ZVKQNIUBLJYSGN-UHFFFAOYSA-N
Hvpx___65927_60_8 =  9.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___65927_60_8 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4-trimethyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-92-8
! inchikey: PDIVDRVTPZNRDZ-UHFFFAOYSA-N
Hvpx___66793_92_8 =  9.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_92_8 =  1.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66793_92_8 =  2.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,5,5-trimethyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-72-4
! inchikey: NPUIBFBNZSKEAP-UHFFFAOYSA-N
Hvpx___66793_72_4 =  9.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_72_4 =  1.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_72_4 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4-trimethyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-74-6
! inchikey: QWJDXMFJOMPTCV-UHFFFAOYSA-N
Hvpx___66793_74_6 =  9.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_74_6 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66793_74_6 =  1.9E+00                                  ! [atm] type: Q, ref: 1115

! species:  3,5,5-trimethyl-3-hexanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66810-87-5
! inchikey: HGGJNDQMXCTKCR-UHFFFAOYSA-N
Hvpx___66810_87_5 =  9.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66810_87_5 =  1.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-2-propyl-1-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    54004-41-0
! inchikey: IGSWOIOCVJEQRH-UHFFFAOYSA-N
Hvpx___54004_41_0 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___54004_41_0 =  1.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___54004_41_0 =  1.2E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___54004_41_0 =  4.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-2-(1-methylethyl)-1-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    55505-24-3
! inchikey: CBHPZSADBWMIGE-UHFFFAOYSA-N
Hvpx___55505_24_3 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___55505_24_3 =  1.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___55505_24_3 =  1.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___55505_24_3 =  3.5E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-ethyl-2,4-dimethyl-1-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-98-4
! inchikey: JIZZVMCXCCJUHI-UHFFFAOYSA-N
Hvpx___66793_98_4 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_98_4 =  2.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_98_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66793_98_4 =  3.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-2,2-dimethyl-1-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-95-1
! inchikey: HEQYMZTUSVDQBW-UHFFFAOYSA-N
Hvpx___66793_95_1 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_95_1 =  2.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_95_1 =  1.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,3,3,4-tetramethyl-2-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-86-0
! inchikey: HLWCPAJEXXTJHY-UHFFFAOYSA-N
Hvpx___66793_86_0 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_86_0 =  6.4E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_86_0 =  1.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4,4-tetramethyl-2-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-87-1
! inchikey: DBCCRNKDJIOKIO-UHFFFAOYSA-N
Hvpx___66793_87_1 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_87_1 =  4.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_87_1 =  1.3E+01                                  ! [atm] type: Q, ref: 3579

! species:  3,3,4,4-tetramethyl-2-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-88-2
! inchikey: AIQOKYGLKGGWOI-UHFFFAOYSA-N
Hvpx___66793_88_2 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_88_2 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_88_2 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66793_88_2 =  2.8E+00                                  ! [atm] type: Q, ref: 1115

! species:  3,3-diethyl-2-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-94-0
! inchikey: IENXYHLNFHBNRR-UHFFFAOYSA-N
Hvpx___66793_94_0 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_94_0 =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_94_0 =  1.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,3-dimethyl-3-ethyl-2-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-97-3
! inchikey: AVQHNUMJCWRCBA-UHFFFAOYSA-N
Hvpx___66793_97_3 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_97_3 =  5.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_97_3 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-3-ethyl-2-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    21102-09-0
! inchikey: YGQDLQQRBCOMKJ-UHFFFAOYSA-N
Hvpx___21102_09_0 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___21102_09_0 =  7.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___21102_09_0 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-2,2-dimethyl-3-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    66793-96-2
! inchikey: CFWIFHZJKFFDFU-UHFFFAOYSA-N
Hvpx___66793_96_2 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_96_2 =  1.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_96_2 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66793_96_2 =  2.3E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-2,4-dimethyl-3-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    3970-59-0
! inchikey: PZPYIRQFCOFLGJ-UHFFFAOYSA-N
Hvpx____3970_59_0 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3970_59_0 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3970_59_0 =  1.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____3970_59_0 =  1.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____3970_59_0 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____3970_59_0 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____3970_59_0 =  2.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,2,3,4-tetramethyl-3-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    29772-39-2
! inchikey: KNTFAYXQHRNXSM-UHFFFAOYSA-N
Hvpx___29772_39_2 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___29772_39_2 =  1.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___29772_39_2 =  1.2E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___29772_39_2 =  2.4E+00                                  ! [atm] type: Q, ref: 1115

! species:  2,2,4,4-tetramethyl-3-pentanol
! formula:  C_9H_{20}O
! trivial:  
! casrn:    14609-79-1
! inchikey: WFJSIIHYYLHRHB-UHFFFAOYSA-N
Hvpx___14609_79_1 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14609_79_1 =  1.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___14609_79_1 =  1.9E+00                                  ! [atm] type: Q, ref: 1115

! species:  1-decanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    112-30-1
! inchikey: MWKFXSUHUHTGQN-UHFFFAOYSA-N
Hvpx_____112_30_1 =  2.8E+00 * EXP(  -9200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____112_30_1 =  7.2E+00 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2999
Hvpx_____112_30_1 =  8.4E+00 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2997
Hvpx_____112_30_1 =  1.8E+00                                  ! [atm] type: M, ref: 1195
Hvpx_____112_30_1 =  2.9E+00                                  ! [atm] type: V, ref: 1497
Hvpx_____112_30_1 =  2.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_30_1 =  1.9E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____112_30_1 =  4.2E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____112_30_1 =  3.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____112_30_1 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_30_1 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_30_1 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_30_1 =  2.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_30_1 =  1.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____112_30_1 =  2.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____112_30_1 =  2.5E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____112_30_1 =  5.5E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____112_30_1 =  2.3E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____112_30_1 =  2.7E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____112_30_1 =  1.8E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____112_30_1 =  1.2E+01                                  ! [atm] type: ?, ref: 3549
Hvpx_____112_30_1 =  2.6E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____112_30_1 =  1.5E+00                                  ! [atm] type: ?, ref: 789
Hvpx_____112_30_1 =  2.9E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-decanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    1120-06-5
! inchikey: ACUZDYFTRHEKOS-UHFFFAOYSA-N
Hvpx____1120_06_5 =  1.0E+00                                  ! [atm] type: Q, ref: 1115

! species:  3-decanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    1565-81-7
! inchikey: ICEQLCZWZXUUIJ-UHFFFAOYSA-N
Hvpx____1565_81_7 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1565_81_7 =  7.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____1565_81_7 =  2.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____1565_81_7 =  2.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____1565_81_7 =  6.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____1565_81_7 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  4-decanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    2051-31-2
! inchikey: DTDMYWXTWWFLGJ-UHFFFAOYSA-N
Hvpx____2051_31_2 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2051_31_2 =  6.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____2051_31_2 =  1.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____2051_31_2 =  1.0E+00                                  ! [atm] type: Q, ref: 1115

! species:  5-decanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    5205-34-5
! inchikey: SZMNDOUFZGODBR-UHFFFAOYSA-N
Hvpx____5205_34_5 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5205_34_5 =  8.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____5205_34_5 =  1.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____5205_34_5 =  7.5E-01                                  ! [atm] type: Q, ref: 1115

! species:  2-methyl-1-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    40589-14-8
! inchikey: BEGNRPGEHZBNKK-UHFFFAOYSA-N
Hvpx___40589_14_8 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___40589_14_8 =  1.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___40589_14_8 =  1.6E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-methyl-2-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    10297-57-1
! inchikey: VREDNSVJXRJXRI-UHFFFAOYSA-N
Hvpx___10297_57_1 =  1.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___10297_57_1 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    26533-33-5
! inchikey: OFIYMUXECPHIPZ-UHFFFAOYSA-N
Hvpx___26533_33_5 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___26533_33_5 =  1.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___26533_33_5 =  1.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___26533_33_5 =  9.6E-01                                  ! [atm] type: Q, ref: 1115

! species:  2-methyl-4-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    26533-31-3
! inchikey: IBHHTADZYDLHPM-UHFFFAOYSA-N
Hvpx___26533_31_3 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___26533_31_3 =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___26533_31_3 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-5-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    29843-62-7
! inchikey: RLQVUGAVOCBRNQ-UHFFFAOYSA-N
Hvpx___29843_62_7 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___29843_62_7 =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___29843_62_7 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-1-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    22663-64-5
! inchikey: BXQPYGLPOMTAPU-UHFFFAOYSA-N
Hvpx___22663_64_5 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___22663_64_5 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___22663_64_5 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-2-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    60671-32-1
! inchikey: QCBDLZKDRUKOFS-UHFFFAOYSA-N
Hvpx___60671_32_1 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60671_32_1 =  9.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___60671_32_1 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-3-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    21078-72-8
! inchikey: VZBFPIMCUSPDLS-UHFFFAOYSA-N
Hvpx___21078_72_8 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___21078_72_8 =  4.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___21078_72_8 =  1.3E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-5-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: QRZAYHZIHWIJHD-UHFFFAOYSA-N
Hvpx_QRZAYHZIHWIJHD_UHFFFAOYSA_N =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_QRZAYHZIHWIJHD_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_QRZAYHZIHWIJHD_UHFFFAOYSA_N =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-1-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    1489-47-0
! inchikey: HECVGHIJHFNAIL-UHFFFAOYSA-N
Hvpx____1489_47_0 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1489_47_0 =  1.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____1489_47_0 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-4-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    23418-38-4
! inchikey: GDCOAKPWVJCNGI-UHFFFAOYSA-N
Hvpx___23418_38_4 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___23418_38_4 =  4.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___23418_38_4 =  1.3E+01                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-1-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    2768-16-3
! inchikey: DBJSFYCKLLBKGB-UHFFFAOYSA-N
Hvpx____2768_16_3 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2768_16_3 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____2768_16_3 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-2-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66731-95-1
! inchikey: KZTLXVUOEODDMR-UHFFFAOYSA-N
Hvpx___66731_95_1 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66731_95_1 =  6.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66731_95_1 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-3-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-43-5
! inchikey: CCSZLOPBDJWYHV-UHFFFAOYSA-N
Hvpx___66719_43_5 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_43_5 =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_43_5 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-4-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-44-6
! inchikey: BFYIAYZULSQBFQ-UHFFFAOYSA-N
Hvpx___66719_44_6 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_44_6 =  1.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_44_6 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-5-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    33933-78-7
! inchikey: AGSIGVZAVLOKLP-UHFFFAOYSA-N
Hvpx___33933_78_7 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___33933_78_7 =  6.0E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___33933_78_7 =  1.3E+01                                  ! [atm] type: Q, ref: 3579

! species:  6-methyl-2-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-60-8
! inchikey: OYTRLQQQIHEJFE-UHFFFAOYSA-N
Hvpx___66256_60_8 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_60_8 =  6.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_60_8 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  7-methyl-1-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    33234-93-4
! inchikey: BJKXZCGJAOWNTN-UHFFFAOYSA-N
Hvpx___33234_93_4 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___33234_93_4 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___33234_93_4 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  7-methyl-2-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-61-9
! inchikey: GCOBJHFUTQUABB-UHFFFAOYSA-N
Hvpx___66256_61_9 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_61_9 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  7-methyl-4-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    26981-98-6
! inchikey: KLZAWUYSXUGWGQ-UHFFFAOYSA-N
Hvpx___26981_98_6 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___26981_98_6 =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___26981_98_6 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  8-methyl-1-nonanol
! formula:  C_{10}H_{22}O
! trivial:  isodecanol
! casrn:    25339-17-7
! inchikey: PLLBRTOLHQQAQQ-UHFFFAOYSA-N
Hvpx___25339_17_7 =  3.0E+00                                  ! [atm] type: Q, ref: 3088

! species:  8-methyl-2-nonanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    14779-92-1
! inchikey: ZVZKLBCGIYWGOU-UHFFFAOYSA-N
Hvpx___14779_92_1 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14779_92_1 =  6.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___14779_92_1 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-1-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    2370-14-1
! inchikey: KEXGXAGJHHCTKD-UHFFFAOYSA-N
Hvpx____2370_14_1 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2370_14_1 =  3.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____2370_14_1 =  1.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____2370_14_1 =  9.5E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,2-dimethyl-3-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    19841-72-6
! inchikey: AZIWNYAWODSERA-UHFFFAOYSA-N
Hvpx___19841_72_6 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19841_72_6 =  3.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___19841_72_6 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethyl-4-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-52-6
! inchikey: IVLDCRDTRQCTIY-UHFFFAOYSA-N
Hvpx___66719_52_6 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_52_6 =  1.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_52_6 =  1.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66719_52_6 =  5.4E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,3-dimethyl-3-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    19781-10-3
! inchikey: AWHYRPPRRQITHX-UHFFFAOYSA-N
Hvpx___19781_10_3 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19781_10_3 =  1.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___19781_10_3 =  1.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___19781_10_3 =  5.2E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,4-dimethyl-2-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    18675-20-2
! inchikey: WHJCLXRXPLJSSV-UHFFFAOYSA-N
Hvpx___18675_20_2 =  2.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18675_20_2 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-4-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    33933-79-8
! inchikey: VRFMFHBPJUSGFK-UHFFFAOYSA-N
Hvpx___33933_79_8 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___33933_79_8 =  8.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___33933_79_8 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethyl-4-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-53-7
! inchikey: VIHAZZPWGKHJQE-UHFFFAOYSA-N
Hvpx___66719_53_7 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_53_7 =  2.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_53_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyl-1-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    62417-08-7
! inchikey: ZKWASVBZSAGDBI-UHFFFAOYSA-N
Hvpx___62417_08_7 =  1.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62417_08_7 =  2.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___62417_08_7 =  1.7E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyl-2-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    18479-57-7
! inchikey: WRFXXJKURVTLSY-UHFFFAOYSA-N
Hvpx___18479_57_7 =  2.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18479_57_7 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,6-dimethyl-4-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-54-8
! inchikey: ZFOGJEKQQNVCFB-UHFFFAOYSA-N
Hvpx___66719_54_8 =  1.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_54_8 =  1.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_54_8 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,7-dimethyl-2-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    42007-73-8
! inchikey: JJZZVQICFJITMO-UHFFFAOYSA-N
Hvpx___42007_73_8 =  2.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___42007_73_8 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,7-dimethyl-3-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-55-9
! inchikey: VFUOFVONEDBLIJ-UHFFFAOYSA-N
Hvpx___66719_55_9 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_55_9 =  2.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_55_9 =  1.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66719_55_9 =  6.0E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,7-dimethyl-4-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    19781-11-4
! inchikey: FRJOBNOTOHIMIH-UHFFFAOYSA-N
Hvpx___19781_11_4 =  2.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19781_11_4 =  1.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___19781_11_4 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-4-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-30-0
! inchikey: JEBZCASOCDXENQ-UHFFFAOYSA-N
Hvpx___66719_30_0 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_30_0 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_30_0 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  3,5-dimethyl-3-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    56065-42-0
! inchikey: DMIBTMSBSULJMT-UHFFFAOYSA-N
Hvpx___56065_42_0 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___56065_42_0 =  7.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___56065_42_0 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  3,6-dimethyl-3-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    151-19-9
! inchikey: NPHCXUPGMINOPP-UHFFFAOYSA-N
Hvpx_____151_19_9 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____151_19_9 =  7.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____151_19_9 =  1.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____151_19_9 =  5.7E-01                                  ! [atm] type: Q, ref: 1115

! species:  3,6-dimethyl-4-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-31-1
! inchikey: XFUFFAQPWAGSDK-UHFFFAOYSA-N
Hvpx___66719_31_1 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_31_1 =  2.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_31_1 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  3,7-dimethyl-1-octanol
! formula:  C_{10}H_{22}O
! trivial:  pelargol
! casrn:    106-21-8
! inchikey: PRNCMAKCNVRZFX-UHFFFAOYSA-N
Hvpx_____106_21_8 =  1.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_21_8 =  1.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_21_8 =  1.5E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____106_21_8 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_21_8 =  1.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____106_21_8 =  1.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  3,7-dimethyl-2-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    15340-96-2
! inchikey: XCWMPEYBKUYTLZ-UHFFFAOYSA-N
Hvpx___15340_96_2 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15340_96_2 =  9.7E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___15340_96_2 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  3,7-dimethyl-3-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    78-69-3
! inchikey: DLHQZZUEERVIGQ-UHFFFAOYSA-N
Hvpx______78_69_3 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_69_3 =  7.1E+00                                  ! [atm] type: Q, ref: 3406
Hvpx______78_69_3 =  1.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______78_69_3 =  6.4E-01                                  ! [atm] type: Q, ref: 1115

! species:  4,5-dimethyl-1-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-32-2
! inchikey: UQKHXPAWOMZBLN-UHFFFAOYSA-N
Hvpx___66719_32_2 =  1.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_32_2 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_32_2 =  1.7E+01                                  ! [atm] type: Q, ref: 3579

! species:  4,6-dimethyl-1-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-33-3
! inchikey: JOWDWXPTKVUHBV-UHFFFAOYSA-N
Hvpx___66719_33_3 =  1.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_33_3 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_33_3 =  1.7E+01                                  ! [atm] type: Q, ref: 3579

! species:  4,6-dimethyl-4-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    56065-43-1
! inchikey: QJVDAQVYZBSYCB-UHFFFAOYSA-N
Hvpx___56065_43_1 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___56065_43_1 =  8.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___56065_43_1 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  4,7-dimethyl-1-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-34-4
! inchikey: UWAGZVFFZJGLJU-UHFFFAOYSA-N
Hvpx___66719_34_4 =  1.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_34_4 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_34_4 =  1.7E+01                                  ! [atm] type: Q, ref: 3579

! species:  4,7-dimethyl-4-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    19781-13-6
! inchikey: OTISWHNJCUMBFI-UHFFFAOYSA-N
Hvpx___19781_13_6 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19781_13_6 =  7.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___19781_13_6 =  1.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___19781_13_6 =  5.7E-01                                  ! [atm] type: Q, ref: 1115

! species:  7,7-dimethyl-1-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-35-5
! inchikey: RYFZXYQQFYLUHM-UHFFFAOYSA-N
Hvpx___66719_35_5 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_35_5 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_35_5 =  1.7E+01                                  ! [atm] type: Q, ref: 3579

! species:  2-ethyl-1-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    20592-10-3
! inchikey: HTRVTKUOKQWGMO-UHFFFAOYSA-N
Hvpx___20592_10_3 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20592_10_3 =  2.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___20592_10_3 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-1-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-36-6
! inchikey: VXOCEIUJVCHLRR-UHFFFAOYSA-N
Hvpx___66719_36_6 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_36_6 =  1.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_36_6 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-3-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    2051-32-3
! inchikey: NPQPNSNHYJTUSA-UHFFFAOYSA-N
Hvpx____2051_32_3 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2051_32_3 =  9.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____2051_32_3 =  1.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____2051_32_3 =  7.1E-01                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-4-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    63126-48-7
! inchikey: WXJDPIWUPZLVSF-UHFFFAOYSA-N
Hvpx___63126_48_7 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___63126_48_7 =  2.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___63126_48_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  4-ethyl-4-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    38395-42-5
! inchikey: OYBUBRUQIKTRET-UHFFFAOYSA-N
Hvpx___38395_42_5 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___38395_42_5 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___38395_42_5 =  1.3E+01                                  ! [atm] type: Q, ref: 3579

! species:  6-ethyl-3-octanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    19781-27-2
! inchikey: JWZFCOOWAQHCBP-UHFFFAOYSA-N
Hvpx___19781_27_2 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19781_27_2 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___19781_27_2 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,2,3-trimethyl-3-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    29772-40-5
! inchikey: GCLFPNQSLCWZAQ-UHFFFAOYSA-N
Hvpx___29772_40_5 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___29772_40_5 =  2.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___29772_40_5 =  1.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___29772_40_5 =  4.8E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,2,4-trimethyl-4-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    57233-31-5
! inchikey: KNACVESXMPHLNM-UHFFFAOYSA-N
Hvpx___57233_31_5 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___57233_31_5 =  1.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___57233_31_5 =  4.2E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,2,5-trimethyl-4-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-42-6
! inchikey: JHHGGYCQTXZCTL-UHFFFAOYSA-N
Hvpx___66256_42_6 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_42_6 =  1.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,2,6-trimethyl-3-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-43-7
! inchikey: AXUPPSSNJCYJOX-UHFFFAOYSA-N
Hvpx___66256_43_7 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_43_7 =  3.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_43_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,2,6-trimethyl-4-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-44-8
! inchikey: ITTQYDBLGDGLMB-UHFFFAOYSA-N
Hvpx___66256_44_8 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_44_8 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,3,6-trimethyl-3-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    58046-40-5
! inchikey: BAZNZYUOJWCTIQ-UHFFFAOYSA-N
Hvpx___58046_40_5 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___58046_40_5 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___58046_40_5 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,4,5-trimethyl-4-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-46-0
! inchikey: RCSCLTAIPNDFGC-UHFFFAOYSA-N
Hvpx___66256_46_0 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_46_0 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,4,6-trimethyl-2-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-47-1
! inchikey: VUZHXHGZVRACMM-UHFFFAOYSA-N
Hvpx___66256_47_1 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_47_1 =  5.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_47_1 =  1.7E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,4,6-trimethyl-4-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    60836-07-9
! inchikey: QSVYJSJPLCSACO-UHFFFAOYSA-N
Hvpx___60836_07_9 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60836_07_9 =  1.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___60836_07_9 =  4.3E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,5,6-trimethyl-2-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-48-2
! inchikey: LQQYOLMGDBGEBC-UHFFFAOYSA-N
Hvpx___66256_48_2 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_48_2 =  5.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_48_2 =  1.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66256_48_2 =  5.9E-01                                  ! [atm] type: Q, ref: 1115

! species:  3,3,6-trimethyl-4-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: LTDMOZOPTDNTLG-UHFFFAOYSA-N
Hvpx_LTDMOZOPTDNTLG_UHFFFAOYSA_N =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_LTDMOZOPTDNTLG_UHFFFAOYSA_N =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  3,5,5-trimethyl-3-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-50-6
! inchikey: WOUVARFKMJIYBY-UHFFFAOYSA-N
Hvpx___66256_50_6 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_50_6 =  7.1E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_50_6 =  1.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66256_50_6 =  6.3E-01                                  ! [atm] type: Q, ref: 1115

! species:  4,6,6-trimethyl-2-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    51079-79-9
! inchikey: FHQUDZUTAZYJRH-UHFFFAOYSA-N
Hvpx___51079_79_9 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___51079_79_9 =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___51079_79_9 =  1.7E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-(1-methylethyl)-1-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    38514-15-7
! inchikey: NTGBCQFKKOCODF-UHFFFAOYSA-N
Hvpx___38514_15_7 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___38514_15_7 =  1.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___38514_15_7 =  1.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___38514_15_7 =  1.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-(1-methylethyl)-4-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    51200-82-9
! inchikey: OHSMKBPEDBXYDU-UHFFFAOYSA-N
Hvpx___51200_82_9 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___51200_82_9 =  1.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___51200_82_9 =  1.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___51200_82_9 =  5.4E-01                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-2-methyl-3-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-37-7
! inchikey: GYCRUUSYQLIIBA-UHFFFAOYSA-N
Hvpx___66719_37_7 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_37_7 =  1.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_37_7 =  1.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66719_37_7 =  5.9E-01                                  ! [atm] type: Q, ref: 1115

! species:  3-ethyl-5-methyl-3-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: FGJMKJVRSBVZPS-UHFFFAOYSA-N
Hvpx_FGJMKJVRSBVZPS_UHFFFAOYSA_N =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_FGJMKJVRSBVZPS_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_FGJMKJVRSBVZPS_UHFFFAOYSA_N =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  5-ethyl-4-methyl-3-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66731-94-0
! inchikey: XVSHXHABYNUHNI-UHFFFAOYSA-N
Hvpx___66731_94_0 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66731_94_0 =  2.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66731_94_0 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  2-propyl-1-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    10042-59-8
! inchikey: YLQLIQIAXYRMDL-UHFFFAOYSA-N
Hvpx___10042_59_8 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___10042_59_8 =  1.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___10042_59_8 =  1.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___10042_59_8 =  1.4E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-propyl-4-heptanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    2198-72-3
! inchikey: SJTPBRMACCDJPZ-UHFFFAOYSA-N
Hvpx____2198_72_3 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2198_72_3 =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____2198_72_3 =  1.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____2198_72_3 =  6.0E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,2,3,4-tetramethyl-3-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-63-1
! inchikey: SAFMWGCEQYLRLS-UHFFFAOYSA-N
Hvpx___66256_63_1 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_63_1 =  2.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_63_1 =  1.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66256_63_1 =  5.7E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,2,4,4-tetramethyl-3-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-65-3
! inchikey: LKAPNEGVXBMYKE-UHFFFAOYSA-N
Hvpx___66256_65_3 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_65_3 =  8.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_65_3 =  1.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66256_65_3 =  5.4E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,2,5,5-tetramethyl-3-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    55073-86-4
! inchikey: CFEYPBVKHMZCFR-UHFFFAOYSA-N
Hvpx___55073_86_4 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___55073_86_4 =  1.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___55073_86_4 =  3.2E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,3,4,4-tetramethyl-2-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-66-4
! inchikey: IELWGTFQRBDDCZ-UHFFFAOYSA-N
Hvpx___66256_66_4 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_66_4 =  8.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_66_4 =  1.8E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66256_66_4 =  5.4E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,3,4,4-tetramethyl-3-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-67-5
! inchikey: ZQFIWHOYWCJIHU-UHFFFAOYSA-N
Hvpx___66256_67_5 =  2.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_67_5 =  1.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_67_5 =  1.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66256_67_5 =  7.5E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,3,5,5-tetramethyl-3-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    5396-09-8
! inchikey: KTSYBVKVNWGHBC-UHFFFAOYSA-N
Hvpx____5396_09_8 =  2.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5396_09_8 =  8.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____5396_09_8 =  1.7E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,4,4,5-tetramethyl-3-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-68-6
! inchikey: VVRHXTVKOHXZJX-UHFFFAOYSA-N
Hvpx___66256_68_6 =  2.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_68_6 =  4.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_68_6 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  3,3,5,5-tetramethyl-2-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-69-7
! inchikey: USWOQOMRDCYQMW-UHFFFAOYSA-N
Hvpx___66256_69_7 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_69_7 =  2.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_69_7 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  3,4,4,5-tetramethyl-3-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-39-1
! inchikey: UHJJSHWWLQIIOU-UHFFFAOYSA-N
Hvpx___66256_39_1 =  2.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_39_1 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_39_1 =  1.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66256_39_1 =  7.8E-01                                  ! [atm] type: Q, ref: 1115

! species:  3,4,5,5-tetramethyl-3-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-40-4
! inchikey: LBLUJHQRJVUQJR-UHFFFAOYSA-N
Hvpx___66256_40_4 =  1.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_40_4 =  1.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_40_4 =  1.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66256_40_4 =  6.2E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,4-dimethyl-4-ethyl-3-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-48-0
! inchikey: NLGGBBOPZSANIC-UHFFFAOYSA-N
Hvpx___66719_48_0 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_48_0 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  2-butyl-1-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    2768-15-2
! inchikey: LAPPDPWPIZBBJY-UHFFFAOYSA-N
Hvpx____2768_15_2 =  1.2E+00                                  ! [atm] type: Q, ref: 1115

! species:  4-ethyl-2,2-dimethyl-3-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-47-9
! inchikey: UOYRABPBVGDJLW-UHFFFAOYSA-N
Hvpx___66719_47_9 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_47_9 =  1.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66719_47_9 =  5.0E-01                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-2-(1-methylethyl)-1-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-41-3
! inchikey: VHGVOODVCUKVCL-UHFFFAOYSA-N
Hvpx___66719_41_3 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_41_3 =  3.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66719_41_3 =  1.8E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66719_41_3 =  7.5E-01                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-2-propyl-1-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-62-0
! inchikey: VZXWJVFQXZUFQS-UHFFFAOYSA-N
Hvpx___66256_62_0 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_62_0 =  2.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_62_0 =  1.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66256_62_0 =  9.5E-01                                  ! [atm] type: Q, ref: 1115

! species:  5,5-dimethyl-2-ethyl-1-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: DXDJMJLAABGHOH-UHFFFAOYSA-N
Hvpx_DXDJMJLAABGHOH_UHFFFAOYSA_N =  2.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_DXDJMJLAABGHOH_UHFFFAOYSA_N =  2.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_DXDJMJLAABGHOH_UHFFFAOYSA_N =  1.7E+01                                  ! [atm] type: Q, ref: 3579

! species:  5,5-dimethyl-3-ethyl-3-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    5340-62-5
! inchikey: FVVBGHIXYRKNGT-UHFFFAOYSA-N
Hvpx____5340_62_5 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5340_62_5 =  1.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____5340_62_5 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-2-(1-methylethyl)-1-hexanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    2051-33-4
! inchikey: SFIQHFBITUEIBP-UHFFFAOYSA-N
Hvpx____2051_33_4 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2051_33_4 =  2.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____2051_33_4 =  1.8E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____2051_33_4 =  1.1E+00                                  ! [atm] type: Q, ref: 1115

! species:  2-methyl-3-(1-methylethyl)-3-hexanol
! formula:  C_{10}H_{22}O
! trivial:  2,4-dimethyl-3-propyl-3-pentanol
! casrn:    51200-81-8
! inchikey: GGOIYPAZTVTJBE-UHFFFAOYSA-N
Hvpx___51200_81_8 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___51200_81_8 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___51200_81_8 =  2.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___51200_81_8 =  3.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___51200_81_8 =  1.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___51200_81_8 =  1.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___51200_81_8 =  5.7E-01                                  ! [atm] type: Q, ref: 1115
Hvpx___51200_81_8 =  4.6E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,2,3,4,4-pentamethyl-3-pentanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    5857-69-2
! inchikey: UYFZQUABCZILAI-UHFFFAOYSA-N
Hvpx____5857_69_2 =  2.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5857_69_2 =  3.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____5857_69_2 =  1.8E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____5857_69_2 =  6.1E-01                                  ! [atm] type: Q, ref: 1115

! species:  2,3-dimethyl-2-{\it tert}-butyl-1-butanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    81931-81-9
! inchikey: WQRJEFGWAMKEBO-UHFFFAOYSA-N
Hvpx___81931_81_9 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___81931_81_9 =  5.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___81931_81_9 =  1.8E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethyl-3-(1-methylethyl)-3-pentanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    51200-83-0
! inchikey: IFXNWIUSZUHIDG-UHFFFAOYSA-N
Hvpx___51200_83_0 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___51200_83_0 =  3.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___51200_83_0 =  1.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___51200_83_0 =  6.1E-01                                  ! [atm] type: Q, ref: 1115

! species:  3,4-dimethyl-3-isopropyl-2-pentanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-50-4
! inchikey: DNBJFVXHMLZKHP-UHFFFAOYSA-N
Hvpx___66719_50_4 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_50_4 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-3-isopropyl-1-pentanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66719-51-5
! inchikey: DQWFOEIWLQBIFY-UHFFFAOYSA-N
Hvpx___66719_51_5 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66719_51_5 =  1.8E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-2,2,4-trimethyl-3-pentanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    66256-41-5
! inchikey: CHZVHXPAKQDRSE-UHFFFAOYSA-N
Hvpx___66256_41_5 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66256_41_5 =  3.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66256_41_5 =  1.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___66256_41_5 =  5.5E-01                                  ! [atm] type: Q, ref: 1115

! species:  4-methyl-2-(2-methylpropyl)-1-pentanol
! formula:  C_{10}H_{22}O
! trivial:  
! casrn:    22417-45-4
! inchikey: FXXCTCCAZGTNNO-UHFFFAOYSA-N
Hvpx___22417_45_4 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___22417_45_4 =  2.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___22417_45_4 =  1.8E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___22417_45_4 =  8.3E-01                                  ! [atm] type: Q, ref: 1115

! species:  1-undecanol
! formula:  C_{11}H_{24}O
! trivial:  
! casrn:    112-42-5
! inchikey: KJIOQYGWTQBHNH-UHFFFAOYSA-N
Hvpx_____112_42_5 =  4.0E+00                                  ! [atm] type: L, ref: 3518
Hvpx_____112_42_5 =  2.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_42_5 =  2.6E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____112_42_5 =  4.0E+00                                  ! [atm] type: Q, ref: 3088
Hvpx_____112_42_5 =  4.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_42_5 =  3.1E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____112_42_5 =  2.5E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____112_42_5 =  1.8E+00                                  ! [atm] type: ?, ref: 2440

! species:  2-undecanol
! formula:  C_{11}H_{24}O
! trivial:  
! casrn:    1653-30-1
! inchikey: XMUJIPOFTAHSOK-UHFFFAOYSA-N
Hvpx____1653_30_1 =  4.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1653_30_1 =  2.4E+00                                  ! [atm] type: Q, ref: 3682

! species:  3-undecanol
! formula:  C_{11}H_{24}O
! trivial:  
! casrn:    6929-08-4
! inchikey: HCARCYFXWDRVBZ-UHFFFAOYSA-N
Hvpx____6929_08_4 =  9.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____6929_08_4 =  3.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____6929_08_4 =  3.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  1-dodecanol
! formula:  C_{12}H_{26}O
! trivial:  
! casrn:    112-53-8
! inchikey: LQZZUXJYWNFBMV-UHFFFAOYSA-N
Hvpx_____112_53_8 =  4.6E+00                                  ! [atm] type: L, ref: 3518
Hvpx_____112_53_8 =  1.2E+00                                  ! [atm] type: M, ref: 1195
Hvpx_____112_53_8 =  3.9E+00 * EXP(  -9800.*(1./T-1./298.15)) ! [atm] type: V, ref: 1497
Hvpx_____112_53_8 =  2.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_53_8 =  3.1E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____112_53_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____112_53_8 =  3.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____112_53_8 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_53_8 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_53_8 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_53_8 =  3.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_53_8 =  1.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____112_53_8 =  2.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____112_53_8 =  3.4E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____112_53_8 =  2.9E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____112_53_8 =  1.2E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____112_53_8 =  2.9E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____112_53_8 =  5.0E+00                                  ! [atm] type: ?, ref: 789

! species:  3-dodecanol
! formula:  C_{12}H_{26}O
! trivial:  
! casrn:    10203-30-2
! inchikey: OKDGZLITBCRLLJ-UHFFFAOYSA-N
Hvpx___10203_30_2 =  1.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx___10203_30_2 =  3.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx___10203_30_2 =  3.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  2,6,8-trimethyl-4-nonanol
! formula:  C_{12}H_{26}O
! trivial:  
! casrn:    123-17-1
! inchikey: LFEHSRSSAGQWNI-UHFFFAOYSA-N
Hvpx_____123_17_1 =  5.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____123_17_1 =  4.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____123_17_1 =  9.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____123_17_1 =  2.1E+01                                  ! [atm] type: Q, ref: 2995

! species:  1-tridecanol
! formula:  C_{13}H_{28}O
! trivial:  
! casrn:    112-70-9
! inchikey: XFRVVPUIAFSTFO-UHFFFAOYSA-N
Hvpx_____112_70_9 =  4.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_70_9 =  3.8E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____112_70_9 =  7.2E+00                                  ! [atm] type: Q, ref: 3088
Hvpx_____112_70_9 =  4.3E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____112_70_9 =  4.7E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____112_70_9 =  3.0E+00                                  ! [atm] type: ?, ref: 2440

! species:  1-tetradecanol
! formula:  C_{14}H_{30}O
! trivial:  
! casrn:    112-72-1
! inchikey: HLZKNKRTKFSKGZ-UHFFFAOYSA-N
Hvpx_____112_72_1 =  8.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____112_72_1 =  8.9E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____112_72_1 =  2.5E+00                                  ! [atm] type: R, ref: 1497
Hvpx_____112_72_1 =  5.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_72_1 =  4.5E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____112_72_1 =  3.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____112_72_1 =  8.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_72_1 =  2.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____112_72_1 =  5.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____112_72_1 =  8.3E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____112_72_1 =  5.8E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____112_72_1 =  5.8E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____112_72_1 =  1.4E-04                                  ! [atm] type: ?, ref: 789

! species:  2-tetradecanol
! formula:  C_{14}H_{30}O
! trivial:  
! casrn:    4706-81-4
! inchikey: BRGJIIMZXMWMCC-UHFFFAOYSA-N
Hvpx____4706_81_4 =  3.2E+00                                  ! [atm] type: Q, ref: 3406

! species:  1-pentadecanol
! formula:  C_{15}H_{32}O
! trivial:  
! casrn:    629-76-5
! inchikey: REIUXOLGHVXAEO-UHFFFAOYSA-N
Hvpx_____629_76_5 =  2.4E+00                                  ! [atm] type: V, ref: 1497
Hvpx_____629_76_5 =  2.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____629_76_5 =  6.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____629_76_5 =  2.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____629_76_5 =  2.1E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____629_76_5 =  2.2E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____629_76_5 =  1.8E-04                                  ! [atm] type: ?, ref: 789

! species:  1-hexadecanol
! formula:  C_{16}H_{34}O
! trivial:  cetyl alcohol
! casrn:    124-29-8
! inchikey: BXWNKGSJHAJOGX-UHFFFAOYSA-N
Hvpx_____124_29_8 =  2.6E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____124_29_8 =  2.5E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____124_29_8 =  1.6E+00                                  ! [atm] type: R, ref: 1497
Hvpx_____124_29_8 =  8.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____124_29_8 =  3.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____124_29_8 =  7.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____124_29_8 =  1.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____124_29_8 =  1.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____124_29_8 =  2.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____124_29_8 =  2.1E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____124_29_8 =  5.4E+00                                  ! [atm] type: Q, ref: 1115
Hvpx_____124_29_8 =  5.4E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____124_29_8 =  9.3E-01                                  ! [atm] type: ?, ref: 789

! species:  2-hexadecanol
! formula:  C_{16}H_{34}O
! trivial:  
! casrn:    14852-31-4
! inchikey: FVDRFBGMOWJEOR-UHFFFAOYSA-N
Hvpx___14852_31_4 =  3.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14852_31_4 =  5.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  1-heptadecanol
! formula:  C_{17}H_{36}O
! trivial:  
! casrn:    1454-85-9
! inchikey: GOQYKNQRPGWPLP-UHFFFAOYSA-N
Hvpx____1454_85_9 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1454_85_9 =  7.7E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____1454_85_9 =  8.3E+00                                  ! [atm] type: Q, ref: 3579
Hvpx____1454_85_9 =  1.2E+01                                  ! [atm] type: Q, ref: 2535
Hvpx____1454_85_9 =  1.2E+01                                  ! [atm] type: Q, ref: 1115
Hvpx____1454_85_9 =  4.6E-02                                  ! [atm] type: ?, ref: 789

! species:  2-heptadecanol
! formula:  C_{17}H_{36}O
! trivial:  
! casrn:    16813-18-6
! inchikey: ZNYQHFLBAPNPRC-UHFFFAOYSA-N
Hvpx___16813_18_6 =  6.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16813_18_6 =  4.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  1-octadecanol
! formula:  C_{18}H_{38}O
! trivial:  
! casrn:    112-92-5
! inchikey: GLDOVTGHNKAZLK-UHFFFAOYSA-N
Hvpx_____112_92_5 =  4.7E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____112_92_5 =  4.7E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____112_92_5 =  1.4E+00                                  ! [atm] type: R, ref: 1497
Hvpx_____112_92_5 =  3.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____112_92_5 =  2.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_92_5 =  3.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____112_92_5 =  1.7E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____112_92_5 =  1.7E+02                                  ! [atm] type: Q, ref: 1115
Hvpx_____112_92_5 =  4.6E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____112_92_5 =  6.0E-01                                  ! [atm] type: ?, ref: 789

! species:  1-nonadecanol
! formula:  C_{19}H_{40}O
! trivial:  
! casrn:    1454-84-8
! inchikey: XGFDHKJUZCCPKQ-UHFFFAOYSA-N
Hvpx____1454_84_8 =  5.5E+00                                  ! [atm] type: Q, ref: 1115

! species:  1-eicosanol
! formula:  C_{20}H_{42}O
! trivial:  
! casrn:    629-96-9
! inchikey: BTFJIXJJCSYFAL-UHFFFAOYSA-N
Hvpx_____629_96_9 =  1.2E+00                                  ! [atm] type: Q, ref: 3088
Hvpx_____629_96_9 =  1.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____629_96_9 =  3.1E+01                                  ! [atm] type: Q, ref: 1115

! species:  1-docosanol
! formula:  C_{22}H_{46}O
! trivial:  behenic alcohol
! casrn:    661-19-8
! inchikey: NOPFSRXAKWQILS-UHFFFAOYSA-N
Hvpx_____661_19_8 =  8.9E+01                                  ! [atm] type: Q, ref: 3088

! species:  1-tetracosanol
! formula:  C_{24}H_{50}O
! trivial:  
! casrn:    506-51-4
! inchikey: TYWMIZZBOVGFOV-UHFFFAOYSA-N
Hvpx_____506_51_4 =  1.6E+02                                  ! [atm] type: Q, ref: 3088

! species:  cyclopentanol
! formula:  C_5H_9OH
! trivial:  
! casrn:    96-41-3
! inchikey: XCIXKGXIYUWCLL-UHFFFAOYSA-N
Hvpx______96_41_3 =  1.3E-01 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx______96_41_3 =  2.5E-01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3609
Hvpx______96_41_3 =  1.3E-01 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: T, ref: 2377
Hvpx______96_41_3 =  1.4E-01                                  ! [atm] type: Q, ref: 3088
Hvpx______96_41_3 =  2.7E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______96_41_3 =  1.2E-01                                  ! [atm] type: Q, ref: 984
Hvpx______96_41_3 =  1.3E-01                                  ! [atm] type: ?, ref: 1500

! species:  cyclohexanol
! formula:  C_6H_{11}OH
! trivial:  
! casrn:    108-93-0
! inchikey: HPXRVTGHNJAIIH-UHFFFAOYSA-N
Hvpx_____108_93_0 =  1.3E-01 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_93_0 =  1.2E-01 * EXP(  -8500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____108_93_0 =  2.2E-01                                  ! [atm] type: M, ref: 3404
Hvpx_____108_93_0 =  1.3E-01 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3609
Hvpx_____108_93_0 =  2.4E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____108_93_0 =  2.0E-01                                  ! [atm] type: V, ref: 3404
Hvpx_____108_93_0 =  1.2E-01                                  ! [atm] type: V, ref: 2613
Hvpx_____108_93_0 =  1.2E-01                                  ! [atm] type: V, ref: 636
Hvpx_____108_93_0 =  1.5E-01                                  ! [atm] type: V, ref: 1145
Hvpx_____108_93_0 =  3.2E-01                                  ! [atm] type: V, ref: 642
Hvpx_____108_93_0 =  1.3E-01 * EXP(  -8500.*(1./T-1./298.15)) ! [atm] type: T, ref: 2377
Hvpx_____108_93_0 =  1.4E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_93_0 =  1.5E-01                                  ! [atm] type: X, ref: howard93
Hvpx_____108_93_0 =  8.8E-02                                  ! [atm] type: Q, ref: 3682
Hvpx_____108_93_0 =  4.8E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_93_0 =  1.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_93_0 =  1.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_93_0 =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_93_0 =  8.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_93_0 =  3.3E-01                                  ! [atm] type: Q, ref: 3689
Hvpx_____108_93_0 =  2.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_93_0 =  2.2E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_93_0 =  2.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_93_0 =  1.7E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_93_0 =  2.3E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_93_0 =  1.5E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_93_0 =  4.3E-01                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_93_0 =  1.3E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_93_0 =  2.4E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_93_0 =  2.0E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____108_93_0 =  1.5E-01                                  ! [atm] type: Q, ref: 731
Hvpx_____108_93_0 =  2.8E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_93_0 =  2.7E-01                                  ! [atm] type: Q, ref: 1145
Hvpx_____108_93_0 =  1.6E-01                                  ! [atm] type: Q, ref: 2482
Hvpx_____108_93_0 =  2.4E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_93_0 =  1.4E-01                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_93_0 =  1.3E-01                                  ! [atm] type: ?, ref: 1500

! species:  cycloheptanol
! formula:  C_7H_{13}OH
! trivial:  
! casrn:    502-41-0
! inchikey: QCRFMSUKWRQZEM-UHFFFAOYSA-N
Hvpx_____502_41_0 =  1.2E-01 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3673
Hvpx_____502_41_0 =  1.3E-01 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: T, ref: 2377
Hvpx_____502_41_0 =  5.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____502_41_0 =  1.5E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____502_41_0 =  1.3E-01                                  ! [atm] type: ?, ref: 1500

! species:  4-methylcyclohexanol
! formula:  C_7H_{13}OH
! trivial:  
! casrn:    589-91-3
! inchikey: MQWCXKGKQLNYQG-UHFFFAOYSA-N
Hvpx_____589_91_3 =  2.1E-01                                  ! [atm] type: ?, ref: 3766

! species:  2-methylcyclohexanol
! formula:  C_7H_{14}O
! trivial:  
! casrn:    583-59-5
! inchikey: NDVWOBYBJYUSMF-UHFFFAOYSA-N
Hvpx_____583_59_5 =  3.8E-01                                  ! [atm] type: M, ref: 3404
Hvpx_____583_59_5 =  4.2E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____583_59_5 =  9.3E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____583_59_5 =  3.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____583_59_5 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____583_59_5 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____583_59_5 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____583_59_5 =  4.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____583_59_5 =  1.7E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____583_59_5 =  4.2E-01                                  ! [atm] type: ?, ref: 3586

! species:  3-methylcyclohexanol
! formula:  C_7H_{14}O
! trivial:  
! casrn:    591-23-1
! inchikey: HTSABYAWKQAHBT-UHFFFAOYSA-N
Hvpx_____591_23_1 =  1.9E-01                                  ! [atm] type: M, ref: 3404
Hvpx_____591_23_1 =  2.0E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____591_23_1 =  9.3E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____591_23_1 =  3.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____591_23_1 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_23_1 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_23_1 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_23_1 =  3.2E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____591_23_1 =  2.0E-01                                  ! [atm] type: ?, ref: 3586

! species:  MCM:C8BCOH
! formula:  C_8H_{14}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: CEOBYJRLFASWKF-UHFFFAOYSA-N
Hvpx_CEOBYJRLFASWKF_UHFFFAOYSA_N =  6.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_CEOBYJRLFASWKF_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_CEOBYJRLFASWKF_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  (4-methylcyclohexyl)methanol
! formula:  C_8H_{16}O
! trivial:  
! casrn:    34885-03-5
! inchikey: OSINZLLLLCUKJH-UHFFFAOYSA-N
Hvpx___34885_03_5 =  3.5E-01                                  ! [atm] type: Q, ref: 3088

! species:  borneol
! formula:  C_{10}H_{18}O
! trivial:  
! casrn:    507-70-0
! inchikey: DTGKSKDOIYIVQL-UHFFFAOYSA-N
Hvpx_____507_70_0 =  1.2E+00                                  ! [atm] type: ?, ref: 3766

! species:  fenchol
! formula:  C_{10}H_{18}O
! trivial:  fenchyl alcohol
! casrn:    1632-73-1
! inchikey: IAIHUHQCLTYTSF-UHFFFAOYSA-N
Hvpx____1632_73_1 =  1.6E+00                                  ! [atm] type: ?, ref: 3766

! species:  menthol
! formula:  C_{10}H_{20}O
! trivial:  
! casrn:    1490-04-6
! inchikey: NOOLISFMXDJSKH-UHFFFAOYSA-N
Hvpx____1490_04_6 =  1.7E+00                                  ! [atm] type: ?, ref: 3766

! species:  2-methylisoborneol
! formula:  C_{11}H_{20}O
! trivial:  
! casrn:    2371-42-8
! inchikey: LFYXNXGVLGKVCJ-BOBPJJCASA-N
Hvpx____2371_42_8 =  6.1E+00 * EXP(  -9800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3303
Hvpx____2371_42_8 =  3.5E-01                                  ! [atm] type: Q, ref: 3719

! species:  geosmin
! formula:  C_{12}H_{22}O
! trivial:  
! casrn:    19700-21-1
! inchikey: JLPUXFOGCDVKGO-GRYCIOLGSA-N
Hvpx___19700_21_1 =  6.7E+00 * EXP(  -9800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3303
Hvpx___19700_21_1 =  1.3E-01                                  ! [atm] type: Q, ref: 3719

! species:  cyclododecanol
! formula:  C_{12}H_{24}O
! trivial:  
! casrn:    1724-39-6
! inchikey: SFVWPXMPRCIVOK-UHFFFAOYSA-N
Hvpx____1724_39_6 =  1.6E-01                                  ! [atm] type: M, ref: 1195
Hvpx____1724_39_6 =  8.0E-02                                  ! [atm] type: Q, ref: 3730
Hvpx____1724_39_6 =  1.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx____1724_39_6 =  1.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1724_39_6 =  1.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1724_39_6 =  6.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____1724_39_6 =  1.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1724_39_6 =  3.3E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____1724_39_6 =  2.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx____1724_39_6 =  1.6E-01                                  ! [atm] type: ?, ref: 3586

! species:  cedrol
! formula:  C_{15}H_{26}O
! trivial:  
! casrn:    77-53-2
! inchikey: SVURIXNDRWRAFU-OGMFBOKVSA-N
Hvpx______77_53_2 =  8.2E-02                                  ! [atm] type: Q, ref: 3682

! species:  patchoulol
! formula:  C_{15}H_{26}O
! trivial:  
! casrn:    5986-55-0
! inchikey: GGHMUJBZYLPWFD-CUZKYEQNSA-N
Hvpx____5986_55_0 =  4.3E-02                                  ! [atm] type: Q, ref: 3682

! species:  perhydrobisphenol a
! formula:  C_{15}H_{28}O_2
! trivial:  
! casrn:    80-04-6
! inchikey: CDBAMNGURPMUTG-UHFFFAOYSA-N
Hvpx______80_04_6 =  5.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______80_04_6 =  8.9E-06                                  ! [atm] type: Q, ref: 2995
Hvpx______80_04_6 =  1.6E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______80_04_6 =  3.0E-03                                  ! [atm] type: Q, ref: 2995

! species:  3-(5,5,6-trimethyl-2-norbornyl)cyclohexanol
! formula:  C_{16}H_{28}O
! trivial:  
! casrn:    3407-42-9
! inchikey: BWVZAZPLUTUBKD-UHFFFAOYSA-N
Hvpx____3407_42_9 =  8.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____3407_42_9 =  3.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____3407_42_9 =  5.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____3407_42_9 =  2.0E+00                                  ! [atm] type: Q, ref: 2995

! species:  4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol
! formula:  C_{16}H_{28}O
! trivial:  
! casrn:    66068-84-6
! inchikey: PCFHYANYPQEMPU-UHFFFAOYSA-N
Hvpx___66068_84_6 =  8.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___66068_84_6 =  3.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___66068_84_6 =  1.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___66068_84_6 =  2.0E+00                                  ! [atm] type: Q, ref: 2995

! species:  4-((1R,2R,4R)-born-2-yl)cyclohexanol
! formula:  C_{16}H_{28}O
! trivial:  
! casrn:    66072-32-0
! inchikey: LFHQKYSBKVWWOS-UHFFFAOYSA-N
Hvpx___66072_32_0 =  8.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___66072_32_0 =  5.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___66072_32_0 =  1.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___66072_32_0 =  3.5E+00                                  ! [atm] type: Q, ref: 2995

! species:  ethenol
! formula:  C_2H_4O
! trivial:  vinyl alcohol
! casrn:    557-75-5
! inchikey: IMROMDMJAWUWLK-UHFFFAOYSA-N
Hvpx_____557_75_5 =  6.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____557_75_5 =  2.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____557_75_5 =  3.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  2-propen-1-ol
! formula:  C_3H_5OH
! trivial:  allyl alcohol
! casrn:    107-18-6
! inchikey: XXROGKLTLUQVRX-UHFFFAOYSA-N
Hvpx_____107_18_6 =  2.7E-01                                  ! [atm] type: V, ref: 477
Hvpx_____107_18_6 =  3.4E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____107_18_6 =  1.3E-01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____107_18_6 =  2.8E-01                                  ! [atm] type: X, ref: 2223
Hvpx_____107_18_6 =  3.6E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____107_18_6 =  6.0E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_18_6 =  1.4E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_18_6 =  7.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_18_6 =  9.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_18_6 =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_18_6 =  2.8E-01                                  ! [atm] type: Q, ref: 3689
Hvpx_____107_18_6 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_18_6 =  1.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_18_6 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_18_6 =  2.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_18_6 =  1.5E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_18_6 =  2.8E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____107_18_6 =  1.4E-01                                  ! [atm] type: Q, ref: 3731
Hvpx_____107_18_6 =  1.1E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____107_18_6 =  1.2E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____107_18_6 =  1.6E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____107_18_6 =  1.2E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____107_18_6 =  1.6E-01                                  ! [atm] type: Q, ref: 2482
Hvpx_____107_18_6 =  2.8E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____107_18_6 =  3.4E-01                                  ! [atm] type: ?, ref: 2440
Hvpx_____107_18_6 =  3.1E-01                                  ! [atm] type: ?, ref: 789
Hvpx_____107_18_6 =  2.8E-01                                  ! [atm] type: ?, ref: 1500

! species:  2-propyn-1-ol
! formula:  C_3H_4O
! trivial:  propargyl alcohol
! casrn:    107-19-7
! inchikey: TVDSBUOJIPERQY-UHFFFAOYSA-N
Hvpx_____107_19_7 =  1.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____107_19_7 =  6.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____107_19_7 =  6.1E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____107_19_7 =  7.8E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_19_7 =  1.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_19_7 =  7.8E-02                                  ! [atm] type: Q, ref: 2530

! species:  2-buten-1-ol
! formula:  CH_3CHCHCH_2OH
! trivial:  
! casrn:    6117-91-5
! inchikey: WCASXYBKJHWFMY-UHFFFAOYSA-N
Hvpx____6117_91_5 =  1.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____6117_91_5 =  1.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____6117_91_5 =  4.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____6117_91_5 =  2.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____6117_91_5 =  1.8E-01                                  ! [atm] type: E, ref: 588

! species:  3-buten-1-ol
! formula:  C_4H_8O
! trivial:  
! casrn:    627-27-0
! inchikey: ZSPTYLOMNJNZNG-UHFFFAOYSA-N

! species:  4-penten-1-ol
! formula:  C_5H_{10}O
! trivial:  
! casrn:    821-09-0
! inchikey: LQAVWYMTUMSFBE-UHFFFAOYSA-N

! species:  3-pentyn-1-ol
! formula:  C_5H_8O
! trivial:  
! casrn:    10229-10-4
! inchikey: IDYNOORNKYEHHO-UHFFFAOYSA-N

! species:  2-methyl-3-buten-2-ol
! formula:  C_5H_9O
! trivial:  
! casrn:    115-18-4
! inchikey: HNVRRHSXBLFLIG-UHFFFAOYSA-N
Hvpx_____115_18_4 =  8.5E-01                                  ! [atm] type: M, ref: 1004
Hvpx_____115_18_4 =  1.2E+00                                  ! [atm] type: M, ref: 1195
Hvpx_____115_18_4 =  3.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____115_18_4 =  6.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____115_18_4 =  1.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_18_4 =  4.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_18_4 =  7.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_18_4 =  2.2E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____115_18_4 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____115_18_4 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____115_18_4 =  9.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____115_18_4 =  3.5E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____115_18_4 =  1.2E+00                                  ! [atm] type: ?, ref: 3586

! species:  2-methyl-3-butyn-2-ol
! formula:  C_5H_8O
! trivial:  
! casrn:    115-19-5
! inchikey: CEBKHWWANWSNTI-UHFFFAOYSA-N
Hvpx_____115_19_5 =  2.2E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____115_19_5 =  3.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____115_19_5 =  3.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____115_19_5 =  5.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____115_19_5 =  6.6E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____115_19_5 =  2.2E-01                                  ! [atm] type: ?, ref: 3586

! species:  3-methyl-1-pentyn-3-ol
! formula:  C_6H_{10}O
! trivial:  meparfynol; methyl pentynol
! casrn:    77-75-8
! inchikey: QXLPXWSKPNOQLE-UHFFFAOYSA-N
Hvpx______77_75_8 =  5.5E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______77_75_8 =  7.9E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______77_75_8 =  1.3E-01                                  ! [atm] type: Q, ref: 3764

! species:  2-cyclohexen-1-ol
! formula:  C_6H_{10}O
! trivial:  
! casrn:    822-67-3
! inchikey: PQANGXXSEABURG-UHFFFAOYSA-N

! species:  bicyclo[2.2.1]heptan-2-ol
! formula:  C_7H_{12}O
! trivial:  norborneol
! casrn:    1632-68-4
! inchikey: ZQTYQMYDIHMKQB-UHFFFAOYSA-N
Hvpx____1632_68_4 =  2.5E-01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125

! species:  2-octen-1-ol
! formula:  C_8H_{16}O
! trivial:  
! casrn:    22104-78-5
! inchikey: AYQPVPFZWIQERS-UHFFFAOYSA-N
Hvpx___22104_78_5 =  7.1E-01                                  ! [atm] type: Q, ref: 3719

! species:  1-octen-3-ol
! formula:  C_8H_{16}O
! trivial:  
! casrn:    3391-86-4
! inchikey: VSMOENVRRABVKN-UHFFFAOYSA-N
Hvpx____3391_86_4 =  2.8E+00 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3719
Hvpx____3391_86_4 =  2.2E+00                                  ! [atm] type: M, ref: 3645
Hvpx____3391_86_4 =  4.2E+00                                  ! [atm] type: M, ref: 2389

! species:  3,7-dimethyl-6-octen-1-ol
! formula:  C_{10}H_{20}O
! trivial:  citronellol
! casrn:    106-22-9
! inchikey: QMVPMAAFGQKVCJ-UHFFFAOYSA-N
Hvpx_____106_22_9 =  1.1E-01                                  ! [atm] type: V, ref: 3678
Hvpx_____106_22_9 =  1.1E+00                                  ! [atm] type: Q, ref: 3682

! species:  3,7-dimethyl-1,6-octadien-3-ol
! formula:  C_{10}H_{18}O
! trivial:  linalool
! casrn:    78-70-6
! inchikey: CDOSHBSSFJOMGT-UHFFFAOYSA-N
Hvpx______78_70_6 =  2.7E+00 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3008
Hvpx______78_70_6 =  1.4E+00                                  ! [atm] type: M, ref: 3554
Hvpx______78_70_6 =  1.2E+00                                  ! [atm] type: M, ref: 1195
Hvpx______78_70_6 =  1.4E+00                                  ! [atm] type: V, ref: 3678
Hvpx______78_70_6 =  1.1E+00                                  ! [atm] type: V, ref: 2124
Hvpx______78_70_6 =  1.1E+00                                  ! [atm] type: V, ref: 2487
Hvpx______78_70_6 =  2.6E+00 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2464
Hvpx______78_70_6 =  3.5E-01                                  ! [atm] type: Q, ref: 3682
Hvpx______78_70_6 =  4.2E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______78_70_6 =  1.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______78_70_6 =  2.2E+00                                  ! [atm] type: Q, ref: 3025
Hvpx______78_70_6 =  2.2E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______78_70_6 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______78_70_6 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______78_70_6 =  8.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______78_70_6 =  3.9E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______78_70_6 =  3.5E+01                                  ! [atm] type: Q, ref: 2599
Hvpx______78_70_6 =  1.2E+00                                  ! [atm] type: ?, ref: 3586

! species:  linalool oxide
! formula:  C_{10}H_{18}O_2
! trivial:  
! casrn:    1365-19-1
! inchikey: BXOURKNXQXLKRK-UHFFFAOYSA-N
Hvpx____1365_19_1 =  1.8E-03                                  ! [atm] type: Q, ref: 3682

! species:  ($E$)-3,7-dimethyl-2,6-octadien-1-ol
! formula:  C_{10}H_{18}O
! trivial:  geraniol
! casrn:    106-24-1
! inchikey: GLZPCOQZEFWAFX-JXMROGBWSA-N
Hvpx_____106_24_1 =  1.8E-01                                  ! [atm] type: V, ref: 3678
Hvpx_____106_24_1 =  3.3E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____106_24_1 =  3.3E+00                                  ! [atm] type: Q, ref: 3088

! species:  ($Z$)-3,7-dimethyl-2,6-octadien-1-ol
! formula:  C_{10}H_{18}O
! trivial:  
! casrn:    106-25-2
! inchikey: GLZPCOQZEFWAFX-YFHOEESVSA-N
Hvpx_____106_25_2 =  6.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____106_25_2 =  2.6E+00                                  ! [atm] type: Q, ref: 3586

! species:  tricyclo[3.3.1.1(3,7)]decan-1-ol
! formula:  C_{10}H_{16}O
! trivial:  1-adamantanol
! casrn:    768-95-6
! inchikey: VLLNJDMHDJRNFK-UHFFFAOYSA-N
Hvpx_____768_95_6 =  9.2E-02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125

! species:  3,7,11-trimethyl-2,6,10-dodecatrien-1-ol
! formula:  C_{15}H_{26}O
! trivial:  farnesol
! casrn:    4602-84-0
! inchikey: CRDAMVZIKSXKFV-YFVJMOTDSA-N
Hvpx____4602_84_0 =  1.4E+01                                  ! [atm] type: Q, ref: 3088

! species:  ($Z$)-9-octadecen-1-ol
! formula:  C_{18}H_{36}O
! trivial:  oleyl alcohol
! casrn:    143-28-2
! inchikey: ALSTYHKOOCGGFT-KTKRTIGZSA-N
Hvpx_____143_28_2 =  2.5E+01                                  ! [atm] type: Q, ref: 3088

! species:  (3$E$,13$Z$)-octadeca-3,13-dien-1-ol
! formula:  C_{18}H_{34}O
! trivial:  
! casrn:    66410-28-4
! inchikey: QBNCGBJHGBGHLS-IYUNJCAYSA-N
Hvpx___66410_28_4 =  2.3E+00                                  ! [atm] type: ?, ref: 3766

! species:  dihydroabietyl alcohol
! formula:  C_{20}H_{34}O
! trivial:  
! casrn:    26266-77-3
! inchikey: FLMIYUXOBAUKJM-UHFFFAOYSA-N
Hvpx___26266_77_3 =  2.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___26266_77_3 =  2.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___26266_77_3 =  2.1E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___26266_77_3 =  2.7E+00                                  ! [atm] type: Q, ref: 2995

! species:  ethylestrenol
! formula:  C_{20}H_{32}O
! trivial:  
! casrn:    965-90-2
! inchikey: AOXRBFRFYPMWLR-UHFFFAOYSA-N
Hvpx_____965_90_2 =  1.3E+00                                  ! [atm] type: Q, ref: 3088

! species:  {\it trans}-phytol
! formula:  C_{20}H_{40}O
! trivial:  
! casrn:    150-86-7
! inchikey: BOTWFXYSPFMFNR-PYDDKJGSSA-N
Hvpx_____150_86_7 =  5.3E+01                                  ! [atm] type: ?, ref: 3766

! species:  hydroxybenzene
! formula:  C_6H_5OH
! trivial:  phenol
! casrn:    108-95-2
! inchikey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Hvpx_____108_95_2 =  3.1E-02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____108_95_2 =  2.5E-02 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_95_2 =  2.5E-02 * EXP(  -9800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724
Hvpx_____108_95_2 =  2.0E-02 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2183
Hvpx_____108_95_2 =  8.6E-02 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2488
Hvpx_____108_95_2 =  1.8E-02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1513
Hvpx_____108_95_2 =  2.9E-02                                  ! [atm] type: M, ref: 1930
Hvpx_____108_95_2 =  1.3E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____108_95_2 =  6.7E-03 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2451
Hvpx_____108_95_2 =  1.3E-01                                  ! [atm] type: M, ref: 1484
Hvpx_____108_95_2 =  3.3E-02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1907
Hvpx_____108_95_2 =  3.6E-02                                  ! [atm] type: M, ref: 1155
Hvpx_____108_95_2 =  3.2E-02 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2291
Hvpx_____108_95_2 =  7.2E-02                                  ! [atm] type: M, ref: 2900
Hvpx_____108_95_2 =  2.7E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____108_95_2 =  2.2E-02                                  ! [atm] type: V, ref: 477
Hvpx_____108_95_2 =  2.9E-02                                  ! [atm] type: V, ref: 636
Hvpx_____108_95_2 =  2.9E-02                                  ! [atm] type: V, ref: 638
Hvpx_____108_95_2 =  1.6E-01                                  ! [atm] type: V, ref: 2439
Hvpx_____108_95_2 =  5.2E-02                                  ! [atm] type: V, ref: 2966
Hvpx_____108_95_2 =  6.1E-03                                  ! [atm] type: V, ref: 1068
Hvpx_____108_95_2 =  1.1E-01                                  ! [atm] type: R, ref: 714
Hvpx_____108_95_2 =  1.9E-02 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: T, ref: 724
Hvpx_____108_95_2 =  4.2E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_95_2 =  2.9E-01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx_____108_95_2 =  3.0E-02 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____108_95_2 =  2.2E-02                                  ! [atm] type: X, ref: howard89
Hvpx_____108_95_2 =  1.8E-02                                  ! [atm] type: X, ref: gaffney84
Hvpx_____108_95_2 =  1.5E-02                                  ! [atm] type: X, ref: mccarty80
Hvpx_____108_95_2 =  2.2E-02                                  ! [atm] type: C, ref: 2165
Hvpx_____108_95_2 =  7.2E-02                                  ! [atm] type: C, ref: 638
Hvpx_____108_95_2 =  7.2E-02                                  ! [atm] type: C, ref: 3071
Hvpx_____108_95_2 =  2.6E-02                                  ! [atm] type: C, ref: 2235
Hvpx_____108_95_2 =  7.2E-02                                  ! [atm] type: C, ref: 3083
Hvpx_____108_95_2 =  3.0E-02                                  ! [atm] type: Q, ref: 3682
Hvpx_____108_95_2 =  8.5E-03                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_95_2 =  1.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_95_2 =  8.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_95_2 =  5.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_95_2 =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_95_2 =  2.2E-02                                  ! [atm] type: Q, ref: 3689
Hvpx_____108_95_2 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_95_2 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_95_2 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_95_2 =  1.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_95_2 =  3.0E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_95_2 =  1.8E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_95_2 =  1.9E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_95_2 =  8.0E-02                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_95_2 =  2.7E-02                                  ! [atm] type: Q, ref: 731
Hvpx_____108_95_2 =  2.7E-02                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_95_2 =  5.5E-02                                  ! [atm] type: Q, ref: 2482
Hvpx_____108_95_2 =  1.8E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_95_2 =  4.2E-02                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_95_2 =  3.4E-02                                  ! [atm] type: ?, ref: 1500

! species:  (hydroxymethyl)-benzene
! formula:  C_6H_5CH_2OH
! trivial:  benzyl alcohol
! casrn:    100-51-6
! inchikey: WVDDGKGOMKODPV-UHFFFAOYSA-N
Hvpx_____100_51_6 =  3.2E-02                                  ! [atm] type: M, ref: 3404
Hvpx_____100_51_6 =  1.5E-02                                  ! [atm] type: M, ref: 1195
Hvpx_____100_51_6 =  2.2E-02                                  ! [atm] type: V, ref: 3404
Hvpx_____100_51_6 =  8.9E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____100_51_6 =  8.9E+00                                  ! [atm] type: V, ref: 636
Hvpx_____100_51_6 =  1.9E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____100_51_6 =  1.4E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____100_51_6 =  1.4E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____100_51_6 =  2.2E-02                                  ! [atm] type: X, ref: howard93
Hvpx_____100_51_6 =  3.5E-02                                  ! [atm] type: Q, ref: 3682
Hvpx_____100_51_6 =  2.4E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____100_51_6 =  2.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_51_6 =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____100_51_6 =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____100_51_6 =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____100_51_6 =  6.4E-03                                  ! [atm] type: Q, ref: 3406
Hvpx_____100_51_6 =  5.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_51_6 =  1.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_51_6 =  1.1E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_51_6 =  1.3E-02                                  ! [atm] type: Q, ref: 3579
Hvpx_____100_51_6 =  2.5E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_51_6 =  9.9E-03                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_51_6 =  4.9E-02                                  ! [atm] type: Q, ref: 3731
Hvpx_____100_51_6 =  2.6E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____100_51_6 =  8.0E-03                                  ! [atm] type: Q, ref: 984
Hvpx_____100_51_6 =  6.1E-03                                  ! [atm] type: E, ref: 588
Hvpx_____100_51_6 =  1.9E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____100_51_6 =  1.9E-02                                  ! [atm] type: ?, ref: 3088
Hvpx_____100_51_6 =  1.4E-02                                  ! [atm] type: ?, ref: 2440
Hvpx_____100_51_6 =  3.0E-02                                  ! [atm] type: ?, ref: 1500

! species:  1-hydroxy-2-methylbenzene
! formula:  HOC_6H_4CH_3
! trivial:  2-cresol; $o$-cresol
! casrn:    95-48-7
! inchikey: QWVGKYWNOKOFNN-UHFFFAOYSA-N
Hvpx______95_48_7 =  8.1E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______95_48_7 =  8.5E-02                                  ! [atm] type: M, ref: 3404
Hvpx______95_48_7 =  1.3E-01 * EXP(  -8500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2488
Hvpx______95_48_7 =  5.0E-02 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1513
Hvpx______95_48_7 =  8.7E-02                                  ! [atm] type: M, ref: 1195
Hvpx______95_48_7 =  9.7E-02 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 1907
Hvpx______95_48_7 =  7.6E-02                                  ! [atm] type: M, ref: 1155
Hvpx______95_48_7 =  6.7E-02 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: M, ref: 725
Hvpx______95_48_7 =  9.4E-02                                  ! [atm] type: V, ref: 3404
Hvpx______95_48_7 =  8.7E-02                                  ! [atm] type: V, ref: 477
Hvpx______95_48_7 =  8.5E-02                                  ! [atm] type: V, ref: 636
Hvpx______95_48_7 =  1.5E-02                                  ! [atm] type: V, ref: 1068
Hvpx______95_48_7 =  6.2E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______95_48_7 =  2.1E-01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx______95_48_7 =  8.8E-02                                  ! [atm] type: X, ref: howard89
Hvpx______95_48_7 =  6.7E-02                                  ! [atm] type: X, ref: gaffney84
Hvpx______95_48_7 =  6.6E-02                                  ! [atm] type: C, ref: 2165
Hvpx______95_48_7 =  6.5E-02                                  ! [atm] type: Q, ref: 3682
Hvpx______95_48_7 =  9.3E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______95_48_7 =  2.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______95_48_7 =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______95_48_7 =  4.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______95_48_7 =  4.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______95_48_7 =  6.8E-02                                  ! [atm] type: Q, ref: 3689
Hvpx______95_48_7 =  4.5E-02                                  ! [atm] type: Q, ref: 3406
Hvpx______95_48_7 =  1.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______95_48_7 =  8.8E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______95_48_7 =  6.2E-02                                  ! [atm] type: Q, ref: 2535
Hvpx______95_48_7 =  5.5E-02                                  ! [atm] type: Q, ref: 3731
Hvpx______95_48_7 =  5.8E-02                                  ! [atm] type: Q, ref: 2543
Hvpx______95_48_7 =  1.2E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______95_48_7 =  3.7E-02                                  ! [atm] type: Q, ref: 1162
Hvpx______95_48_7 =  7.6E-02                                  ! [atm] type: Q, ref: 2482
Hvpx______95_48_7 =  6.6E-02                                  ! [atm] type: ?, ref: 3586
Hvpx______95_48_7 =  9.5E-02                                  ! [atm] type: ?, ref: 2440
Hvpx______95_48_7 =  4.7E-02                                  ! [atm] type: ?, ref: 789
Hvpx______95_48_7 =  6.8E-02                                  ! [atm] type: ?, ref: 1500

! species:  1-hydroxy-3-methylbenzene
! formula:  HOC_6H_4CH_3
! trivial:  3-cresol; $m$-cresol
! casrn:    108-39-4
! inchikey: RLSSMJSEOOYNOY-UHFFFAOYSA-N
Hvpx_____108_39_4 =  4.7E-02 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_39_4 =  6.9E-02 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2488
Hvpx_____108_39_4 =  4.7E-02                                  ! [atm] type: M, ref: 1195
Hvpx_____108_39_4 =  4.6E-02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1907
Hvpx_____108_39_4 =  4.3E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____108_39_4 =  4.6E-02                                  ! [atm] type: V, ref: 2165
Hvpx_____108_39_4 =  4.8E-02                                  ! [atm] type: V, ref: 477
Hvpx_____108_39_4 =  5.0E-02                                  ! [atm] type: V, ref: 636
Hvpx_____108_39_4 =  4.8E-02                                  ! [atm] type: V, ref: 1145
Hvpx_____108_39_4 =  1.1E-02                                  ! [atm] type: V, ref: 1068
Hvpx_____108_39_4 =  2.5E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_39_4 =  8.9E-02 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx_____108_39_4 =  4.8E-02                                  ! [atm] type: X, ref: howard89
Hvpx_____108_39_4 =  3.1E-02                                  ! [atm] type: Q, ref: 3682
Hvpx_____108_39_4 =  9.3E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_39_4 =  2.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_39_4 =  4.4E-02                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_39_4 =  1.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_39_4 =  4.8E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_39_4 =  4.6E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_39_4 =  5.4E-02                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_39_4 =  3.2E-02                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_39_4 =  3.4E-02                                  ! [atm] type: Q, ref: 1145
Hvpx_____108_39_4 =  4.7E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_39_4 =  4.0E-02                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_39_4 =  3.9E-02                                  ! [atm] type: ?, ref: 789
Hvpx_____108_39_4 =  1.3E-01                                  ! [atm] type: ?, ref: 1500

! species:  1-hydroxy-4-methylbenzene
! formula:  HOC_6H_4CH_3
! trivial:  4-cresol; $p$-cresol
! casrn:    106-44-5
! inchikey: IWDCLRJOBJJRNH-UHFFFAOYSA-N
Hvpx_____106_44_5 =  4.3E-02 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____106_44_5 =  5.4E-02 * EXP(  -9300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2488
Hvpx_____106_44_5 =  1.9E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____106_44_5 =  4.3E-02 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1907
Hvpx_____106_44_5 =  4.1E-02                                  ! [atm] type: M, ref: 1155
Hvpx_____106_44_5 =  4.3E-02 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 725
Hvpx_____106_44_5 =  3.1E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____106_44_5 =  5.3E-02                                  ! [atm] type: V, ref: 477
Hvpx_____106_44_5 =  3.6E-02                                  ! [atm] type: V, ref: 636
Hvpx_____106_44_5 =  1.2E-02                                  ! [atm] type: V, ref: 1068
Hvpx_____106_44_5 =  4.7E-01                                  ! [atm] type: V, ref: 3945
Hvpx_____106_44_5 =  2.5E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_44_5 =  1.1E-01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx_____106_44_5 =  5.3E-02                                  ! [atm] type: X, ref: howard89
Hvpx_____106_44_5 =  5.5E-02                                  ! [atm] type: X, ref: gaffney84
Hvpx_____106_44_5 =  4.3E-02                                  ! [atm] type: C, ref: 2165
Hvpx_____106_44_5 =  3.5E-02                                  ! [atm] type: Q, ref: 3682
Hvpx_____106_44_5 =  9.3E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____106_44_5 =  2.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_44_5 =  3.1E-02                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_44_5 =  1.3E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_44_5 =  3.3E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_44_5 =  6.2E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_44_5 =  3.7E-02                                  ! [atm] type: Q, ref: 3731
Hvpx_____106_44_5 =  3.2E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_44_5 =  3.7E-02                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_44_5 =  3.8E-02                                  ! [atm] type: Q, ref: 1162
Hvpx_____106_44_5 =  7.8E-02                                  ! [atm] type: Q, ref: 2482
Hvpx_____106_44_5 =  5.5E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____106_44_5 =  4.0E-02                                  ! [atm] type: ?, ref: 2440
Hvpx_____106_44_5 =  2.2E-02                                  ! [atm] type: ?, ref: 789
Hvpx_____106_44_5 =  4.3E-02                                  ! [atm] type: ?, ref: 1500

! species:  1-hydroxy-2,3-dimethylbenzene
! formula:  C_8H_{10}O
! trivial:  2,3-xylenol; 2,3-dimethylphenol
! casrn:    526-75-0
! inchikey: QWBBPBRQALCEIZ-UHFFFAOYSA-N
Hvpx_____526_75_0 =  8.1E-02 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____526_75_0 =  5.9E-02                                  ! [atm] type: M, ref: 1930
Hvpx_____526_75_0 =  5.2E-02 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 1907
Hvpx_____526_75_0 =  1.7E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____526_75_0 =  3.1E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____526_75_0 =  2.9E-02                                  ! [atm] type: V, ref: 636
Hvpx_____526_75_0 =  1.1E-02                                  ! [atm] type: V, ref: 1068
Hvpx_____526_75_0 =  4.1E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____526_75_0 =  6.9E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____526_75_0 =  4.5E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____526_75_0 =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____526_75_0 =  3.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____526_75_0 =  5.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____526_75_0 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____526_75_0 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____526_75_0 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____526_75_0 =  9.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____526_75_0 =  1.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____526_75_0 =  3.9E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____526_75_0 =  4.7E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____526_75_0 =  1.2E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____526_75_0 =  4.1E-02                                  ! [atm] type: ?, ref: 3586

! species:  1-hydroxy-2,4-dimethylbenzene
! formula:  C_8H_{10}O
! trivial:  2,4-xylenol; 2,4-dimethylphenol
! casrn:    105-67-9
! inchikey: KUFFULVDNCHOFZ-UHFFFAOYSA-N
Hvpx_____105_67_9 =  1.6E-01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____105_67_9 =  8.3E-02                                  ! [atm] type: M, ref: 1930
Hvpx_____105_67_9 =  1.1E-01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1907
Hvpx_____105_67_9 =  2.9E+02 * EXP(   3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____105_67_9 =  9.9E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____105_67_9 =  3.5E-02                                  ! [atm] type: V, ref: 477
Hvpx_____105_67_9 =  9.9E-02                                  ! [atm] type: V, ref: 636
Hvpx_____105_67_9 =  1.0E+00                                  ! [atm] type: V, ref: 2439
Hvpx_____105_67_9 =  1.1E-01                                  ! [atm] type: V, ref: 1145
Hvpx_____105_67_9 =  3.5E-02                                  ! [atm] type: V, ref: 1068
Hvpx_____105_67_9 =  5.3E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____105_67_9 =  1.2E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____105_67_9 =  1.3E-01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____105_67_9 =  3.5E-02                                  ! [atm] type: X, ref: howard89
Hvpx_____105_67_9 =  9.4E-01                                  ! [atm] type: C, ref: 3071
Hvpx_____105_67_9 =  1.0E+00                                  ! [atm] type: C, ref: 2235
Hvpx_____105_67_9 =  3.3E-02                                  ! [atm] type: C, ref: 2556
Hvpx_____105_67_9 =  8.2E-02                                  ! [atm] type: Q, ref: 3682
Hvpx_____105_67_9 =  6.9E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____105_67_9 =  4.5E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____105_67_9 =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____105_67_9 =  4.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____105_67_9 =  6.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____105_67_9 =  1.2E-01                                  ! [atm] type: Q, ref: 3406
Hvpx_____105_67_9 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_67_9 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_67_9 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_67_9 =  1.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____105_67_9 =  1.3E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____105_67_9 =  5.1E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____105_67_9 =  3.5E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____105_67_9 =  8.2E-02                                  ! [atm] type: Q, ref: 3764
Hvpx_____105_67_9 =  1.2E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____105_67_9 =  3.8E-02                                  ! [atm] type: Q, ref: 1145
Hvpx_____105_67_9 =  5.3E-02                                  ! [atm] type: ?, ref: 3586

! species:  1-hydroxy-2,5-dimethylbenzene
! formula:  C_8H_{10}O
! trivial:  2,5-xylenol; 2,5-dimethylphenol
! casrn:    95-87-4
! inchikey: NKTOLZVEWDHZMU-UHFFFAOYSA-N
Hvpx______95_87_4 =  6.7E-02 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______95_87_4 =  7.3E-02 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 1907
Hvpx______95_87_4 =  3.9E-01                                  ! [atm] type: V, ref: 3088
Hvpx______95_87_4 =  7.3E-02                                  ! [atm] type: V, ref: 2613
Hvpx______95_87_4 =  7.4E-02                                  ! [atm] type: V, ref: 636
Hvpx______95_87_4 =  1.4E-02                                  ! [atm] type: V, ref: 1068
Hvpx______95_87_4 =  6.2E-02                                  ! [atm] type: R, ref: 1501
Hvpx______95_87_4 =  2.9E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______95_87_4 =  9.6E-02                                  ! [atm] type: Q, ref: 3682
Hvpx______95_87_4 =  6.9E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______95_87_4 =  4.5E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______95_87_4 =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______95_87_4 =  4.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______95_87_4 =  6.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______95_87_4 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______95_87_4 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______95_87_4 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______95_87_4 =  1.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______95_87_4 =  1.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______95_87_4 =  1.8E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______95_87_4 =  3.8E-02                                  ! [atm] type: Q, ref: 2543
Hvpx______95_87_4 =  1.2E-02                                  ! [atm] type: Q, ref: 984
Hvpx______95_87_4 =  6.2E-02                                  ! [atm] type: ?, ref: 3586

! species:  1-hydroxy-2,6-dimethylbenzene
! formula:  C_8H_{10}O
! trivial:  2,6-xylenol; 2,6-dimethylphenol
! casrn:    576-26-1
! inchikey: NXXYKOUNUYWIHA-UHFFFAOYSA-N
Hvpx_____576_26_1 =  3.5E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____576_26_1 =  2.4E-01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1907
Hvpx_____576_26_1 =  4.2E-01                                  ! [atm] type: M, ref: 2232
Hvpx_____576_26_1 =  2.2E-01                                  ! [atm] type: V, ref: 2613
Hvpx_____576_26_1 =  2.1E-01                                  ! [atm] type: V, ref: 636
Hvpx_____576_26_1 =  2.1E-01                                  ! [atm] type: V, ref: 638
Hvpx_____576_26_1 =  1.1E-01                                  ! [atm] type: V, ref: 1068
Hvpx_____576_26_1 =  1.9E-01                                  ! [atm] type: R, ref: 1501
Hvpx_____576_26_1 =  3.9E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____576_26_1 =  3.3E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____576_26_1 =  6.9E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____576_26_1 =  1.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____576_26_1 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____576_26_1 =  1.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____576_26_1 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____576_26_1 =  5.9E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____576_26_1 =  3.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____576_26_1 =  1.8E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____576_26_1 =  4.7E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____576_26_1 =  1.2E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____576_26_1 =  3.7E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____576_26_1 =  3.9E-01                                  ! [atm] type: ?, ref: 2440

! species:  1-hydroxy-3,4-dimethylbenzene
! formula:  C_8H_{10}O
! trivial:  3,4-xylenol; 3,4-dimethylphenol
! casrn:    95-65-8
! inchikey: YCOXTKKNXUZSKD-UHFFFAOYSA-N
Hvpx______95_65_8 =  2.1E-02 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______95_65_8 =  2.3E-02 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1907
Hvpx______95_65_8 =  6.6E-02                                  ! [atm] type: V, ref: 3088
Hvpx______95_65_8 =  1.2E-02                                  ! [atm] type: V, ref: 2613
Hvpx______95_65_8 =  1.2E-02                                  ! [atm] type: V, ref: 636
Hvpx______95_65_8 =  1.2E-02                                  ! [atm] type: V, ref: 638
Hvpx______95_65_8 =  5.1E-03                                  ! [atm] type: V, ref: 1068
Hvpx______95_65_8 =  2.3E-02                                  ! [atm] type: R, ref: 1501
Hvpx______95_65_8 =  5.1E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______95_65_8 =  3.1E-02                                  ! [atm] type: Q, ref: 3682
Hvpx______95_65_8 =  6.9E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______95_65_8 =  4.5E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______95_65_8 =  5.1E-02                                  ! [atm] type: Q, ref: 3406
Hvpx______95_65_8 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______95_65_8 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______95_65_8 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______95_65_8 =  1.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______95_65_8 =  4.6E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______95_65_8 =  2.3E-02                                  ! [atm] type: Q, ref: 2535
Hvpx______95_65_8 =  2.6E-02                                  ! [atm] type: Q, ref: 2543
Hvpx______95_65_8 =  1.2E-02                                  ! [atm] type: Q, ref: 984
Hvpx______95_65_8 =  2.3E-02                                  ! [atm] type: ?, ref: 3586

! species:  1-hydroxy-3,5-dimethylbenzene
! formula:  C_8H_{10}O
! trivial:  3,5-xylenol; 3,5-dimethylphenol
! casrn:    108-68-9
! inchikey: TUAMRELNJMMDMT-UHFFFAOYSA-N
Hvpx_____108_68_9 =  3.6E-02 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_68_9 =  3.4E-02 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1907
Hvpx_____108_68_9 =  7.2E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____108_68_9 =  1.9E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____108_68_9 =  1.8E-02                                  ! [atm] type: V, ref: 636
Hvpx_____108_68_9 =  2.2E-02                                  ! [atm] type: V, ref: 638
Hvpx_____108_68_9 =  8.9E-03                                  ! [atm] type: V, ref: 1068
Hvpx_____108_68_9 =  3.4E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____108_68_9 =  7.5E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_68_9 =  4.5E-02                                  ! [atm] type: Q, ref: 3682
Hvpx_____108_68_9 =  6.9E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_68_9 =  4.5E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_68_9 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_68_9 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_68_9 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_68_9 =  1.7E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_68_9 =  4.8E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_68_9 =  3.4E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_68_9 =  3.2E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_68_9 =  1.2E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____108_68_9 =  3.4E-02                                  ! [atm] type: ?, ref: 3586

! species:  2-methylbenzenemethanol
! formula:  C_8H_{10}O
! trivial:  
! casrn:    89-95-2
! inchikey: XPNGNIFUDRPBFJ-UHFFFAOYSA-N
Hvpx______89_95_2 =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______89_95_2 =  9.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______89_95_2 =  3.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  3-methylbenzenemethanol
! formula:  C_8H_{10}O
! trivial:  
! casrn:    587-03-1
! inchikey: JJCKHVUTVOPLBV-UHFFFAOYSA-N
Hvpx_____587_03_1 =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____587_03_1 =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____587_03_1 =  1.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  4-methylbenzenemethanol
! formula:  C_8H_{10}O
! trivial:  
! casrn:    589-18-4
! inchikey: KMTDMTZBNYGUNX-UHFFFAOYSA-N
Hvpx_____589_18_4 =  6.1E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____589_18_4 =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_18_4 =  1.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_18_4 =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  $\alpha$-methylbenzyl alcohol
! formula:  C_8H_{10}O
! trivial:  
! casrn:    98-85-1
! inchikey: WAPNOHKVXSQRPX-UHFFFAOYSA-N
Hvpx______98_85_1 =  1.6E-02                                  ! [atm] type: Q, ref: 3088

! species:  1-hydroxy-2-ethylbenzene
! formula:  C_8H_{10}O
! trivial:  2-ethylphenol
! casrn:    90-00-6
! inchikey: IXQGCWUGDFDQMF-UHFFFAOYSA-N
Hvpx______90_00_6 =  2.6E-01                                  ! [atm] type: V, ref: 3586
Hvpx______90_00_6 =  2.5E-01                                  ! [atm] type: V, ref: 3088
Hvpx______90_00_6 =  9.7E-02                                  ! [atm] type: V, ref: 2613
Hvpx______90_00_6 =  2.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______90_00_6 =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______90_00_6 =  6.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______90_00_6 =  7.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______90_00_6 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______90_00_6 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______90_00_6 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______90_00_6 =  3.4E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______90_00_6 =  2.5E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______90_00_6 =  1.7E-01                                  ! [atm] type: Q, ref: 3764

! species:  1-hydroxy-3-ethylbenzene
! formula:  C_8H_{10}O
! trivial:  3-ethylphenol
! casrn:    620-17-7
! inchikey: HMNKTRSOROOSPP-UHFFFAOYSA-N
Hvpx_____620_17_7 =  1.1E-01                                  ! [atm] type: M, ref: 1922
Hvpx_____620_17_7 =  3.5E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____620_17_7 =  6.9E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____620_17_7 =  2.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____620_17_7 =  6.1E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____620_17_7 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____620_17_7 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____620_17_7 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____620_17_7 =  1.6E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____620_17_7 =  2.6E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____620_17_7 =  3.7E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____620_17_7 =  3.0E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____620_17_7 =  1.0E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____620_17_7 =  3.5E-02                                  ! [atm] type: ?, ref: 3586

! species:  1-hydroxy-4-ethylbenzene
! formula:  C_8H_{10}O
! trivial:  4-ethylphenol
! casrn:    123-07-9
! inchikey: HXDOZKJGKXYMEW-UHFFFAOYSA-N
Hvpx_____123_07_9 =  6.6E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____123_07_9 =  2.7E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____123_07_9 =  4.3E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____123_07_9 =  6.9E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____123_07_9 =  2.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_07_9 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_07_9 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_07_9 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_07_9 =  1.5E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_07_9 =  5.8E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_07_9 =  3.3E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____123_07_9 =  1.0E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____123_07_9 =  4.3E-02                                  ! [atm] type: ?, ref: 3586

! species:  2,3,4-trimethylphenol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    526-85-2
! inchikey: XRUGBBIQLIVCSI-UHFFFAOYSA-N
Hvpx_____526_85_2 =  4.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____526_85_2 =  3.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____526_85_2 =  6.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  2,3,5-trimethylphenol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    697-82-5
! inchikey: OGRAOKJKVGDSFR-UHFFFAOYSA-N
Hvpx_____697_82_5 =  4.7E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____697_82_5 =  4.4E-02                                  ! [atm] type: V, ref: 636

! species:  2,3,6-trimethylphenol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    2416-94-6
! inchikey: QQOMQLYQAXGHSU-UHFFFAOYSA-N
Hvpx____2416_94_6 =  2.2E-01                                  ! [atm] type: V, ref: 3586
Hvpx____2416_94_6 =  2.2E-01                                  ! [atm] type: V, ref: 3088
Hvpx____2416_94_6 =  3.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx____2416_94_6 =  2.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____2416_94_6 =  4.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____2416_94_6 =  4.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____2416_94_6 =  5.1E-02                                  ! [atm] type: Q, ref: 2521
Hvpx____2416_94_6 =  1.3E+00                                  ! [atm] type: Q, ref: 2530

! species:  2,4,6-trimethylphenol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    527-60-6
! inchikey: BPRYUXCVCCNUFE-UHFFFAOYSA-N
Hvpx_____527_60_6 =  1.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____527_60_6 =  1.7E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____527_60_6 =  4.1E-01                                  ! [atm] type: V, ref: 2613
Hvpx_____527_60_6 =  3.8E-01                                  ! [atm] type: V, ref: 636
Hvpx_____527_60_6 =  3.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____527_60_6 =  2.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____527_60_6 =  6.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____527_60_6 =  4.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____527_60_6 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____527_60_6 =  1.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____527_60_6 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____527_60_6 =  5.9E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____527_60_6 =  4.6E-01                                  ! [atm] type: Q, ref: 2530

! species:  3,4,5-trimethylphenol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    527-54-8
! inchikey: FDQQNNZKEJIHMS-UHFFFAOYSA-N
Hvpx_____527_54_8 =  1.6E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____527_54_8 =  1.4E-02                                  ! [atm] type: V, ref: 636

! species:  1-hydroxy-4-propylbenzene
! formula:  C_9H_{12}O
! trivial:  4-propylphenol
! casrn:    645-56-7
! inchikey: KLSLBUSXWBJMEC-UHFFFAOYSA-N
Hvpx_____645_56_7 =  3.1E-01                                  ! [atm] type: V, ref: 2613
Hvpx_____645_56_7 =  6.3E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____645_56_7 =  5.1E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____645_56_7 =  2.2E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____645_56_7 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____645_56_7 =  1.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____645_56_7 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____645_56_7 =  1.8E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____645_56_7 =  5.3E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____645_56_7 =  6.2E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____645_56_7 =  4.7E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____645_56_7 =  1.3E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____645_56_7 =  6.3E-02                                  ! [atm] type: ?, ref: 3586

! species:  2-(1-methylethyl)-phenol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    88-69-7
! inchikey: CRBJBYGJVIBWIY-UHFFFAOYSA-N
Hvpx______88_69_7 =  2.1E-01                                  ! [atm] type: V, ref: 2613
Hvpx______88_69_7 =  1.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______88_69_7 =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______88_69_7 =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______88_69_7 =  2.0E-01                                  ! [atm] type: Q, ref: 2521

! species:  2-phenylisopropanol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    617-94-7
! inchikey: BDCFWIDZNLCTMF-UHFFFAOYSA-N
Hvpx_____617_94_7 =  2.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____617_94_7 =  4.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____617_94_7 =  4.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____617_94_7 =  2.1E-02                                  ! [atm] type: Q, ref: 3088

! species:  2-ethyl-3-methylphenol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    6161-62-2
! inchikey: OCKYMBMCPOAFLL-UHFFFAOYSA-N
Hvpx____6161_62_2 =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____6161_62_2 =  6.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____6161_62_2 =  9.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  2-ethyl-5-methylphenol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    1687-61-2
! inchikey: LTRVUFFOMIUCPJ-UHFFFAOYSA-N
Hvpx____1687_61_2 =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____1687_61_2 =  6.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____1687_61_2 =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  2-ethyl-6-methylphenol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    1687-64-5
! inchikey: CIRRFAQIWQFQSS-UHFFFAOYSA-N
Hvpx____1687_64_5 =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____1687_64_5 =  8.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____1687_64_5 =  7.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  5-ethyl-3-methylphenol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    698-71-5
! inchikey: XTCHLXABLZQNNN-UHFFFAOYSA-N
Hvpx_____698_71_5 =  3.8E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____698_71_5 =  4.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____698_71_5 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____698_71_5 =  1.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____698_71_5 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____698_71_5 =  1.9E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____698_71_5 =  3.0E-02                                  ! [atm] type: Q, ref: 2530

! species:  1-(2-methylphenyl)ethanol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    7287-82-3
! inchikey: SDCBYRLJYGORNK-UHFFFAOYSA-N
Hvpx____7287_82_3 =  2.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____7287_82_3 =  1.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____7287_82_3 =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  2-propylphenol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    644-35-9
! inchikey: LCHYEKKJCUJAKN-UHFFFAOYSA-N
Hvpx_____644_35_9 =  2.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____644_35_9 =  9.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____644_35_9 =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  1-phenyl-1-propanol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    93-54-9
! inchikey: DYUQAZSOFZSPHD-UHFFFAOYSA-N
Hvpx______93_54_9 =  1.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______93_54_9 =  2.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______93_54_9 =  5.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  2,3-dimethylbenzyl alcohol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    13651-14-4
! inchikey: ZQQIVMXQYUZKIQ-UHFFFAOYSA-N
Hvpx___13651_14_4 =  4.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx___13651_14_4 =  7.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___13651_14_4 =  2.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  3,4-dimethylbenzyl alcohol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    6966-10-5
! inchikey: OKGZCXPDJKKZAP-UHFFFAOYSA-N
Hvpx____6966_10_5 =  4.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____6966_10_5 =  8.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx____6966_10_5 =  9.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  3,5-dimethylbenzyl alcohol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    27129-87-9
! inchikey: IQWWTJDRVBWBEL-UHFFFAOYSA-N
Hvpx___27129_87_9 =  4.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx___27129_87_9 =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx___27129_87_9 =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  2-(1,1-dimethylethyl)-phenol
! formula:  C_{10}H_{14}O
! trivial:  
! casrn:    88-18-6
! inchikey: WJQOZHYUIDYNHM-UHFFFAOYSA-N
Hvpx______88_18_6 =  1.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx______88_18_6 =  1.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______88_18_6 =  7.7E-02                                  ! [atm] type: Q, ref: 3088

! species:  3-(1,1-dimethylethyl)-phenol
! formula:  C_{10}H_{14}O
! trivial:  
! casrn:    585-34-2
! inchikey: CYEKUDPFXBLGHH-UHFFFAOYSA-N
Hvpx_____585_34_2 =  1.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____585_34_2 =  1.2E-01                                  ! [atm] type: Q, ref: 3586

! species:  2-(1-methylpropyl)phenol
! formula:  C_{10}H_{14}O
! trivial:  
! casrn:    89-72-5
! inchikey: NGFPWHGISWUQOI-UHFFFAOYSA-N
Hvpx______89_72_5 =  1.2E-01                                  ! [atm] type: Q, ref: 3088

! species:  4-(1-methylpropyl)-phenol
! formula:  C_{10}H_{14}O
! trivial:  4-{\it sec}-butylphenol
! casrn:    99-71-8
! inchikey: ZUTYZAFDFLLILI-UHFFFAOYSA-N
Hvpx______99_71_8 =  1.5E-01                                  ! [atm] type: V, ref: 2613
Hvpx______99_71_8 =  1.3E-01                                  ! [atm] type: V, ref: 636

! species:  4-{\it tert}-butylphenol
! formula:  C_{10}H_{14}O
! trivial:  
! casrn:    98-54-4
! inchikey: QHPQWRBYOIRBIT-UHFFFAOYSA-N
Hvpx______98_54_4 =  6.2E-02 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: M, ref: 725
Hvpx______98_54_4 =  3.4E-02                                  ! [atm] type: V, ref: 2613
Hvpx______98_54_4 =  2.6E-02                                  ! [atm] type: V, ref: 636
Hvpx______98_54_4 =  3.8E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______98_54_4 =  1.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______98_54_4 =  2.6E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______98_54_4 =  1.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______98_54_4 =  6.2E-02                                  ! [atm] type: Q, ref: 2535
Hvpx______98_54_4 =  8.2E-02                                  ! [atm] type: Q, ref: 2543
Hvpx______98_54_4 =  2.2E-02                                  ! [atm] type: Q, ref: 3764
Hvpx______98_54_4 =  2.2E-02                                  ! [atm] type: Q, ref: 984
Hvpx______98_54_4 =  1.1E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______98_54_4 =  2.0E-01                                  ! [atm] type: Q, ref: 2482
Hvpx______98_54_4 =  6.6E-02                                  ! [atm] type: ?, ref: 3586
Hvpx______98_54_4 =  3.7E+00                                  ! [atm] type: ?, ref: 510
Hvpx______98_54_4 =  6.2E-02                                  ! [atm] type: ?, ref: 1500

! species:  2-methyl-5-(1-methylethyl)-phenol
! formula:  C_{10}H_{14}O
! trivial:  carvacrol
! casrn:    499-75-2
! inchikey: RECUKUPTGUEGMW-UHFFFAOYSA-N
Hvpx_____499_75_2 =  3.7E-01                                  ! [atm] type: V, ref: 3678
Hvpx_____499_75_2 =  2.3E-01 * EXP(  -9300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125

! species:  5-methyl-2-(1-methylethyl)-phenol
! formula:  C_{10}H_{14}O
! trivial:  thymol
! casrn:    89-83-8
! inchikey: MGSRCZKZVOBKFT-UHFFFAOYSA-N
Hvpx______89_83_8 =  2.7E-02                                  ! [atm] type: V, ref: 3586
Hvpx______89_83_8 =  3.7E-01                                  ! [atm] type: V, ref: 3678
Hvpx______89_83_8 =  1.8E-01 * EXP(  -9300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125
Hvpx______89_83_8 =  1.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______89_83_8 =  1.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______89_83_8 =  2.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______89_83_8 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______89_83_8 =  2.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______89_83_8 =  7.6E-01                                  ! [atm] type: Q, ref: 2530

! species:  1-(3,5-dimethylphenyl)ethanol
! formula:  C_{10}H_{14}O
! trivial:  
! casrn:    5379-18-0
! inchikey: RHBAJFPGUNNLFA-UHFFFAOYSA-N
Hvpx____5379_18_0 =  4.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____5379_18_0 =  3.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____5379_18_0 =  3.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  6-ethyl-2,4-xylenol
! formula:  C_{10}H_{14}O
! trivial:  
! casrn:    2219-79-6
! inchikey: MXHAHSBTOVFDBK-UHFFFAOYSA-N
Hvpx____2219_79_6 =  2.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____2219_79_6 =  9.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____2219_79_6 =  9.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  2-(1,1-dimethylethyl)-4-methylphenol
! formula:  C_{11}H_{16}O
! trivial:  
! casrn:    2409-55-4
! inchikey: IKEHOXWJQXIQAG-UHFFFAOYSA-N
Hvpx____2409_55_4 =  8.3E-02                                  ! [atm] type: Q, ref: 3088

! species:  4-(1,1-dimethylpropyl)phenol
! formula:  C_{11}H_{16}O
! trivial:  
! casrn:    80-46-6
! inchikey: NRZWYNLTFLDQQX-UHFFFAOYSA-N
Hvpx______80_46_6 =  1.1E-01                                  ! [atm] type: V, ref: 3088

! species:  MCM:DE35TOH
! formula:  C_{11}H_{16}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: OZZOZHVUMWFILP-UHFFFAOYSA-N
Hvpx_OZZOZHVUMWFILP_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OZZOZHVUMWFILP_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OZZOZHVUMWFILP_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DEMPHOH
! formula:  C_{11}H_{16}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: VUDWBUZLGAXSDX-UHFFFAOYSA-N
Hvpx_VUDWBUZLGAXSDX_UHFFFAOYSA_N =  3.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VUDWBUZLGAXSDX_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VUDWBUZLGAXSDX_UHFFFAOYSA_N =  8.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  josenol
! formula:  C_{11}H_{14}O
! trivial:  2-methyl-3-(4-methylphenyl)-2-propen-1-ol
! casrn:    56138-10-4
! inchikey: WWHATUWNHYNMNW-UHFFFAOYSA-N
Hvpx___56138_10_4 =  1.2E-02                                  ! [atm] type: Q, ref: 3682

! species:  lilyflore
! formula:  C_{12}H_{16}O
! trivial:  
! casrn:    285977-85-7
! inchikey: UWSPWQQZFOSTHS-UHFFFAOYSA-N
Hvpx__285977_85_7 =  4.2E-02                                  ! [atm] type: Q, ref: 3682

! species:  benzhydrol
! formula:  C_{13}H_{12}O
! trivial:  
! casrn:    91-01-0
! inchikey: QILSFLSDHQAZET-UHFFFAOYSA-N
Hvpx______91_01_0 =  1.5E-03                                  ! [atm] type: ?, ref: 3766

! species:  1-hydroxy-4-octylbenzene
! formula:  C_{14}H_{22}O
! trivial:  4-octylphenol
! casrn:    1806-26-4
! inchikey: NTDQQZYCCIDJRK-UHFFFAOYSA-N
Hvpx____1806_26_4 =  4.2E-01                                  ! [atm] type: V, ref: 2613
Hvpx____1806_26_4 =  2.7E-01                                  ! [atm] type: V, ref: 636

! species:  4-(1,1,3,3-tetramethylbutyl)-phenol
! formula:  C_{14}H_{22}O
! trivial:  $p$-{\it tert}-octylphenol
! casrn:    140-66-9
! inchikey: ISAVYTVYFVQUDY-UHFFFAOYSA-N
Hvpx_____140_66_9 =  2.4E-01 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1942
Hvpx_____140_66_9 =  3.8E-01                                  ! [atm] type: Q, ref: 3088
Hvpx_____140_66_9 =  2.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____140_66_9 =  2.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____140_66_9 =  5.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____140_66_9 =  3.1E-01                                  ! [atm] type: Q, ref: 2995

! species:  1-hydroxy-4-nonylbenzene
! formula:  C_{15}H_{24}O
! trivial:  4-nonylphenol
! casrn:    104-40-5
! inchikey: IGFHQQFPSIBGKE-UHFFFAOYSA-N
Hvpx_____104_40_5 =  1.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____104_40_5 =  1.9E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____104_40_5 =  1.5E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____104_40_5 =  8.6E-01                                  ! [atm] type: V, ref: 636
Hvpx_____104_40_5 =  2.0E-02                                  ! [atm] type: Q, ref: 3586

! species:  2,6-bis(1,1-dimethylethyl)-4-methylphenol
! formula:  C_{15}H_{24}O
! trivial:  butylated hydroxytoluene; BHT
! casrn:    128-37-0
! inchikey: NLZUEZXRPGMBCV-UHFFFAOYSA-N
Hvpx_____128_37_0 =  1.9E+02                                  ! [atm] type: V, ref: 2971

! species:  4-(3',5'-dimethyl-3'-heptyl)-phenol(+)
! formula:  C_{15}H_{24}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: RYIHVIPUIXFRNI-IUODEOHRSA-N
Hvpx_RYIHVIPUIXFRNI_IUODEOHRSA_N =  1.9E-01 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1942

! species:  4-(3',5'-dimethyl-3'-heptyl)-phenol(-)
! formula:  C_{15}H_{24}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: RYIHVIPUIXFRNI-SWLSCSKDSA-N
Hvpx_RYIHVIPUIXFRNI_SWLSCSKDSA_N =  1.7E-01 * EXP(  -8600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1942

! species:  2-phenylethanol
! formula:  C_8H_{10}O
! trivial:  
! casrn:    60-12-8
! inchikey: WRMNZCZEMHIOCP-UHFFFAOYSA-N
Hvpx______60_12_8 =  3.2E-02 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______60_12_8 =  1.5E-02                                  ! [atm] type: M, ref: 1195
Hvpx______60_12_8 =  8.3E-03                                  ! [atm] type: V, ref: 3088
Hvpx______60_12_8 =  1.4E-02                                  ! [atm] type: R, ref: 1501
Hvpx______60_12_8 =  1.6E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______60_12_8 =  3.5E-02                                  ! [atm] type: Q, ref: 3682
Hvpx______60_12_8 =  1.8E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______60_12_8 =  2.7E+02                                  ! [atm] type: Q, ref: 3521
Hvpx______60_12_8 =  6.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______60_12_8 =  6.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______60_12_8 =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______60_12_8 =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______60_12_8 =  7.0E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______60_12_8 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______60_12_8 =  1.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______60_12_8 =  2.8E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______60_12_8 =  1.7E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______60_12_8 =  2.3E+00                                  ! [atm] type: Q, ref: 2597
Hvpx______60_12_8 =  2.3E+00                                  ! [atm] type: Q, ref: 2598
Hvpx______60_12_8 =  1.4E-02                                  ! [atm] type: Q, ref: 2535
Hvpx______60_12_8 =  5.5E-02                                  ! [atm] type: Q, ref: 3731
Hvpx______60_12_8 =  2.0E-02                                  ! [atm] type: Q, ref: 2543
Hvpx______60_12_8 =  1.0E-02                                  ! [atm] type: Q, ref: 3764
Hvpx______60_12_8 =  1.0E-02                                  ! [atm] type: Q, ref: 984
Hvpx______60_12_8 =  1.4E-02                                  ! [atm] type: ?, ref: 3586
Hvpx______60_12_8 =  1.6E-01                                  ! [atm] type: ?, ref: 2440

! species:  3-phenyl-1-propanol
! formula:  C_9H_{12}O
! trivial:  
! casrn:    122-97-4
! inchikey: VAJVDSVGBWFCLW-UHFFFAOYSA-N
Hvpx_____122_97_4 =  3.1E-03                                  ! [atm] type: M, ref: 1195
Hvpx_____122_97_4 =  1.1E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____122_97_4 =  1.3E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____122_97_4 =  6.2E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____122_97_4 =  3.9E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____122_97_4 =  2.7E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____122_97_4 =  1.6E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____122_97_4 =  1.3E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____122_97_4 =  1.1E-02                                  ! [atm] type: ?, ref: 3586

! species:  4-phenyl-1-butanol
! formula:  C_{10}H_{14}O
! trivial:  
! casrn:    3360-41-6
! inchikey: LDZLXQFDGRCELX-UHFFFAOYSA-N
Hvpx____3360_41_6 =  8.1E-02                                  ! [atm] type: M, ref: 1195
Hvpx____3360_41_6 =  4.7E-02                                  ! [atm] type: Q, ref: 2521

! species:  1-naphthalenol
! formula:  C_{10}H_8O
! trivial:  1-naphthol
! casrn:    90-15-3
! inchikey: KJCVRFUGPWSIIH-UHFFFAOYSA-N
Hvpx______90_15_3 =  3.3E-03                                  ! [atm] type: V, ref: 3088
Hvpx______90_15_3 =  1.9E-02                                  ! [atm] type: V, ref: 2613
Hvpx______90_15_3 =  3.2E-03                                  ! [atm] type: R, ref: 1501
Hvpx______90_15_3 =  2.6E-03                                  ! [atm] type: Q, ref: 3730
Hvpx______90_15_3 =  3.2E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______90_15_3 =  8.0E-03                                  ! [atm] type: Q, ref: 2521
Hvpx______90_15_3 =  6.5E-03                                  ! [atm] type: Q, ref: 2530
Hvpx______90_15_3 =  1.2E-03                                  ! [atm] type: Q, ref: 2543
Hvpx______90_15_3 =  3.6E-04                                  ! [atm] type: Q, ref: 984
Hvpx______90_15_3 =  3.3E-03                                  ! [atm] type: ?, ref: 3586

! species:  2-naphthalenol
! formula:  C_{10}H_8O
! trivial:  2-naphthol
! casrn:    135-19-3
! inchikey: JWAZRIHNYRIHIV-UHFFFAOYSA-N
Hvpx_____135_19_3 =  4.8E-03                                  ! [atm] type: V, ref: 2613
Hvpx_____135_19_3 =  1.5E-03                                  ! [atm] type: R, ref: 1501
Hvpx_____135_19_3 =  2.6E-03                                  ! [atm] type: Q, ref: 3730
Hvpx_____135_19_3 =  3.2E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____135_19_3 =  2.5E-03                                  ! [atm] type: Q, ref: 3088
Hvpx_____135_19_3 =  7.8E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____135_19_3 =  2.0E-03                                  ! [atm] type: Q, ref: 2530
Hvpx_____135_19_3 =  9.4E-04                                  ! [atm] type: Q, ref: 2543
Hvpx_____135_19_3 =  3.2E-04                                  ! [atm] type: Q, ref: 984
Hvpx_____135_19_3 =  1.5E-03                                  ! [atm] type: ?, ref: 3586

! species:  $o$-hydroxybiphenyl
! formula:  C_{12}H_{10}O
! trivial:  
! casrn:    90-43-7
! inchikey: LLEMOWNGBBNAJR-UHFFFAOYSA-N
Hvpx______90_43_7 =  5.8E-02                                  ! [atm] type: V, ref: 3586
Hvpx______90_43_7 =  5.8E-02                                  ! [atm] type: V, ref: 3088
Hvpx______90_43_7 =  1.9E+00                                  ! [atm] type: V, ref: 2613
Hvpx______90_43_7 =  2.6E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______90_43_7 =  1.7E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______90_43_7 =  4.8E-02                                  ! [atm] type: Q, ref: 2530

! species:  $p$-hydroxybiphenyl
! formula:  C_{12}H_{10}O
! trivial:  
! casrn:    92-69-3
! inchikey: YXVFYQXJAXKLAK-UHFFFAOYSA-N
Hvpx______92_69_3 =  3.4E+00                                  ! [atm] type: V, ref: 2613
Hvpx______92_69_3 =  2.9E-03                                  ! [atm] type: Q, ref: 3088

! species:  2,4,6-tris(1,1-dimethylethyl)phenol
! formula:  C_{18}H_{30}O
! trivial:  
! casrn:    732-26-3
! inchikey: PFEFOYRSMXVNEL-UHFFFAOYSA-N
Hvpx_____732_26_3 =  5.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____732_26_3 =  9.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____732_26_3 =  1.7E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____732_26_3 =  1.0E+01                                  ! [atm] type: Q, ref: 2995

! species:  dehydroabietol
! formula:  C_{20}H_{30}O
! trivial:  
! casrn:    3772-55-2
! inchikey: WSKGRAGZAQRSED-IOJLRTSASA-N
Hvpx____3772_55_2 =  6.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____3772_55_2 =  3.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____3772_55_2 =  2.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____3772_55_2 =  7.6E-01                                  ! [atm] type: Q, ref: 2995

! species:  2,2'-methylenebis(6-(1,1-dimethylethyl)-4-methylphenol)
! formula:  C_{23}H_{32}O_2
! trivial:  
! casrn:    119-47-1
! inchikey: KGRVJHAUYBGFFP-UHFFFAOYSA-N
Hvpx_____119_47_1 =  4.4E-07                                  ! [atm] type: Q, ref: 3088

! species:  2,4-dinonylphenol
! formula:  C_{24}H_{42}O
! trivial:  
! casrn:    137-99-5
! inchikey: FDAJTLLBHNHECW-UHFFFAOYSA-N
Hvpx_____137_99_5 =  3.5E+00                                  ! [atm] type: Q, ref: 3088
Hvpx_____137_99_5 =  3.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____137_99_5 =  1.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____137_99_5 =  7.8E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____137_99_5 =  2.2E+00                                  ! [atm] type: Q, ref: 2995

! species:  methanediol
! formula:  HOCH_2OH
! trivial:  
! casrn:    463-57-0
! inchikey: CKFGINPQOCXMAZ-UHFFFAOYSA-N
Hvpx_____463_57_0 =  5.5E-03                                  ! [atm] type: R, ref: 3300
Hvpx_____463_57_0 =  1.4E-04                                  ! [atm] type: T, ref: 3563
Hvpx_____463_57_0 =  7.7E-04                                  ! [atm] type: T, ref: 3563

! species:  1,1-ethanediol
! formula:  CH_3CH_2(OH)_2
! trivial:  
! casrn:    4433-56-1
! inchikey: AZHSSKPUVBVXLK-UHFFFAOYSA-N
Hvpx____4433_56_1 =  1.4E-02                                  ! [atm] type: T, ref: 3563
Hvpx____4433_56_1 =  3.8E-02                                  ! [atm] type: T, ref: 3563

! species:  1,2-ethanediol
! formula:  HO(CH_2)_2OH
! trivial:  ethylene glycol
! casrn:    107-21-1
! inchikey: LYCAIKOWRPUZTN-UHFFFAOYSA-N
Hvpx_____107_21_1 =  8.4E-05                                  ! [atm] type: L, ref: 3500
Hvpx_____107_21_1 =  8.4E-05                                  ! [atm] type: L, ref: 3245
Hvpx_____107_21_1 =  1.4E-04                                  ! [atm] type: M, ref: 641
Hvpx_____107_21_1 =  3.4E-03                                  ! [atm] type: M, ref: 713
Hvpx_____107_21_1 =  1.2E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____107_21_1 =  8.4E-05 * EXP(  -8800.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx_____107_21_1 =  1.1E-04                                  ! [atm] type: V, ref: 2439
Hvpx_____107_21_1 =  7.8E-05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____107_21_1 =  7.8E-05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____107_21_1 =  1.1E-04                                  ! [atm] type: Q, ref: 3682
Hvpx_____107_21_1 =  1.9E-03                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_21_1 =  8.5E-04                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_21_1 =  1.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_21_1 =  4.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_21_1 =  8.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_21_1 =  9.8E-04                                  ! [atm] type: Q, ref: 3246
Hvpx_____107_21_1 =  1.4E-03                                  ! [atm] type: Q, ref: 3246
Hvpx_____107_21_1 =  1.3E-03                                  ! [atm] type: Q, ref: 3246
Hvpx_____107_21_1 =  4.1E-05                                  ! [atm] type: Q, ref: 3406
Hvpx_____107_21_1 =  7.0E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_21_1 =  1.1E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_21_1 =  7.0E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_21_1 =  2.2E-04                                  ! [atm] type: Q, ref: 3579
Hvpx_____107_21_1 =  7.6E-04                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_21_1 =  1.8E-04                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_21_1 =  7.9E-05                                  ! [atm] type: Q, ref: 3731
Hvpx_____107_21_1 =  6.3E-04                                  ! [atm] type: Q, ref: 3764
Hvpx_____107_21_1 =  3.3E-03                                  ! [atm] type: ?, ref: 3586
Hvpx_____107_21_1 =  1.0E-04                                  ! [atm] type: ?, ref: 2440

! species:  1,2-propanediol
! formula:  C_3H_8O_2
! trivial:  propylene glycol
! casrn:    57-55-6
! inchikey: DNIAPMSPPWPWGF-UHFFFAOYSA-N
Hvpx______57_55_6 =  2.0E-04                                  ! [atm] type: L, ref: 3500
Hvpx______57_55_6 =  2.0E-04                                  ! [atm] type: L, ref: 3245
Hvpx______57_55_6 =  7.1E-04                                  ! [atm] type: V, ref: 3586
Hvpx______57_55_6 =  7.2E-04                                  ! [atm] type: V, ref: 3088
Hvpx______57_55_6 =  2.0E-04 * EXP(  -9500.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx______57_55_6 =  2.0E-04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______57_55_6 =  2.0E-04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______57_55_6 =  2.9E-04                                  ! [atm] type: Q, ref: 3682
Hvpx______57_55_6 =  1.5E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______57_55_6 =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______57_55_6 =  5.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx______57_55_6 =  4.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx______57_55_6 =  1.4E-04                                  ! [atm] type: Q, ref: 3406
Hvpx______57_55_6 =  2.0E-04                                  ! [atm] type: Q, ref: 3579

! species:  1,3-propanediol
! formula:  C_3H_8O_2
! trivial:  
! casrn:    504-63-2
! inchikey: YPFDHNVEDLHUCE-UHFFFAOYSA-N
Hvpx_____504_63_2 =  3.5E-05                                  ! [atm] type: L, ref: 3500
Hvpx_____504_63_2 =  3.5E-05                                  ! [atm] type: L, ref: 3245
Hvpx_____504_63_2 =  6.0E-05                                  ! [atm] type: M, ref: 641
Hvpx_____504_63_2 =  3.5E-05 * EXP(  -9500.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx_____504_63_2 =  7.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____504_63_2 =  8.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____504_63_2 =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____504_63_2 =  1.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____504_63_2 =  2.2E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____504_63_2 =  8.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____504_63_2 =  1.4E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____504_63_2 =  2.7E-04                                  ! [atm] type: Q, ref: 2530

! species:  1,2,3-propanetriol
! formula:  C_3H_8O_3
! trivial:  glycerol
! casrn:    56-81-5
! inchikey: PEDCQBHIVMGVHV-UHFFFAOYSA-N
Hvpx______56_81_5 =  1.2E-07                                  ! [atm] type: L, ref: 3500
Hvpx______56_81_5 =  1.2E-07                                  ! [atm] type: L, ref: 3245
Hvpx______56_81_5 =  9.3E-04                                  ! [atm] type: M, ref: 713
Hvpx______56_81_5 =  1.2E-07 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx______56_81_5 =  1.1E-07                                  ! [atm] type: V, ref: 2439
Hvpx______56_81_5 =  1.4E-03                                  ! [atm] type: Q, ref: 3730
Hvpx______56_81_5 =  3.3E-06                                  ! [atm] type: Q, ref: 3586
Hvpx______56_81_5 =  9.6E-04                                  ! [atm] type: ?, ref: 3586

! species:  1,2-butanediol
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    584-03-2
! inchikey: BMRWNKZVCUKKSR-UHFFFAOYSA-N
Hvpx_____584_03_2 =  2.6E-04                                  ! [atm] type: L, ref: 3500
Hvpx_____584_03_2 =  2.6E-04                                  ! [atm] type: L, ref: 3245
Hvpx_____584_03_2 =  1.6E-03                                  ! [atm] type: M, ref: 1195
Hvpx_____584_03_2 =  3.3E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____584_03_2 =  2.6E-04 * EXP(  -9900.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx_____584_03_2 =  1.2E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____584_03_2 =  1.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____584_03_2 =  7.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____584_03_2 =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  1,3-butanediol
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    107-88-0
! inchikey: PUPZLCDOIYMWBV-UHFFFAOYSA-N
Hvpx_____107_88_0 =  7.8E-05                                  ! [atm] type: L, ref: 3500
Hvpx_____107_88_0 =  7.8E-05                                  ! [atm] type: L, ref: 3245
Hvpx_____107_88_0 =  1.3E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____107_88_0 =  7.8E-05 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx_____107_88_0 =  5.8E-04                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_88_0 =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_88_0 =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_88_0 =  2.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_88_0 =  1.1E-05                                  ! [atm] type: E, ref: 588

! species:  1,4-butanediol
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    110-63-4
! inchikey: WERYXYBDKMZEQL-UHFFFAOYSA-N
Hvpx_____110_63_4 =  1.6E-05                                  ! [atm] type: L, ref: 3500
Hvpx_____110_63_4 =  1.6E-05                                  ! [atm] type: L, ref: 3245
Hvpx_____110_63_4 =  6.1E-04                                  ! [atm] type: M, ref: 1195
Hvpx_____110_63_4 =  7.2E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____110_63_4 =  7.2E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____110_63_4 =  1.6E-05 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx_____110_63_4 =  2.2E-04                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_63_4 =  9.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_63_4 =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_63_4 =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_63_4 =  1.8E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_63_4 =  1.1E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_63_4 =  1.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_63_4 =  6.8E-05                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_63_4 =  3.4E-04                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_63_4 =  2.8E-05                                  ! [atm] type: ?, ref: 2440

! species:  2,3-butanediol
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    513-85-9
! inchikey: OWBTYPJTUOEWEK-UHFFFAOYSA-N
Hvpx_____513_85_9 =  5.0E-04                                  ! [atm] type: L, ref: 3500
Hvpx_____513_85_9 =  5.0E-04                                  ! [atm] type: L, ref: 3245
Hvpx_____513_85_9 =  1.6E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____513_85_9 =  1.6E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____513_85_9 =  5.0E-04 * EXP(  -9900.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx_____513_85_9 =  5.6E-04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____513_85_9 =  3.2E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____513_85_9 =  1.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____513_85_9 =  4.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____513_85_9 =  1.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____513_85_9 =  3.3E-04                                  ! [atm] type: Q, ref: 3406
Hvpx_____513_85_9 =  7.0E-04                                  ! [atm] type: Q, ref: 3579

! species:  {\it meso}-2,3-butanediol
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    5341-95-7
! inchikey: OWBTYPJTUOEWEK-ZXZARUISSA-N
Hvpx____5341_95_7 =  2.5E-03                                  ! [atm] type: V, ref: 3586
Hvpx____5341_95_7 =  8.0E-04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5341_95_7 =  3.2E-03                                  ! [atm] type: Q, ref: 3586
Hvpx____5341_95_7 =  3.5E-04                                  ! [atm] type: Q, ref: 3406
Hvpx____5341_95_7 =  7.0E-04                                  ! [atm] type: Q, ref: 3579

! species:  2-methylpropane-1,2-diol
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    558-43-0
! inchikey: BTVWZWFKMIUSGS-UHFFFAOYSA-N
Hvpx_____558_43_0 =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____558_43_0 =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____558_43_0 =  1.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  2-methylpropane-1,3-diol
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    2163-42-0
! inchikey: QWGRWMMWNDWRQN-UHFFFAOYSA-N
Hvpx____2163_42_0 =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx____2163_42_0 =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx____2163_42_0 =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx____2163_42_0 =  1.3E-02                                  ! [atm] type: Q, ref: 3088

! species:  1,2,3-butanetriol
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    4435-50-1
! inchikey: YAXKTBLXMTYWDQ-UHFFFAOYSA-N
Hvpx____4435_50_1 =  1.8E-10                                  ! [atm] type: E, ref: 588

! species:  1,2,4-butanetriol
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    3068-00-6
! inchikey: ARXKVVRQIIOZGF-UHFFFAOYSA-N
Hvpx____3068_00_6 =  7.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx____3068_00_6 =  2.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx____3068_00_6 =  1.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx____3068_00_6 =  1.8E-10                                  ! [atm] type: E, ref: 588

! species:  1,2,3,4-butanetetrol
! formula:  C_4H_{10}O_4
! trivial:  1,2,3,4-tetrahydroxybutane; tetritol
! casrn:    7541-59-5
! inchikey: UNXHWFMMPAWVPI-UHFFFAOYSA-N
Hvpx____7541_59_5 =  2.8E-15                                  ! [atm] type: E, ref: 588

! species:  2($R$),3($S$)-1,2,3,4-butanetetrol
! formula:  C_4H_{10}O_4
! trivial:  erythritol
! casrn:    149-32-6
! inchikey: UNXHWFMMPAWVPI-ZXZARUISSA-N
Hvpx_____149_32_6 =  5.0E-11                                  ! [atm] type: L, ref: 3500
Hvpx_____149_32_6 =  5.0E-11                                  ! [atm] type: L, ref: 3245
Hvpx_____149_32_6 =  2.2E-10                                  ! [atm] type: M, ref: 3575
Hvpx_____149_32_6 =  5.0E-11 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx_____149_32_6 =  1.7E-05                                  ! [atm] type: Q, ref: 3575
Hvpx_____149_32_6 =  1.3E-09                                  ! [atm] type: Q, ref: 3575
Hvpx_____149_32_6 =  1.7E-05                                  ! [atm] type: Q, ref: 3088

! species:  1,2-pentanediol
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    5343-92-0
! inchikey: WCVRQHFDJLLWFE-UHFFFAOYSA-N
Hvpx____5343_92_0 =  4.0E-04                                  ! [atm] type: V, ref: 3067
Hvpx____5343_92_0 =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx____5343_92_0 =  9.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx____5343_92_0 =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  1,3-pentanediol
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    3174-67-2
! inchikey: RUOPINZRYMFPBF-UHFFFAOYSA-N
Hvpx____3174_67_2 =  9.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx____3174_67_2 =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx____3174_67_2 =  3.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  1,4-pentanediol
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    626-95-9
! inchikey: GLOBUAZSRIOKLN-UHFFFAOYSA-N
Hvpx_____626_95_9 =  2.4E-05                                  ! [atm] type: V, ref: 3067
Hvpx_____626_95_9 =  9.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____626_95_9 =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____626_95_9 =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  1,5-pentanediol
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    111-29-5
! inchikey: ALQSHHUCVQOPAS-UHFFFAOYSA-N
Hvpx_____111_29_5 =  7.8E-06 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx_____111_29_5 =  2.8E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_29_5 =  3.5E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_29_5 =  1.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_29_5 =  7.1E-05                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_29_5 =  1.4E-05                                  ! [atm] type: E, ref: 588

! species:  2,3-pentanediol
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    42027-23-6
! inchikey: XLMFDCKSFJWJTP-UHFFFAOYSA-N
Hvpx___42027_23_6 =  2.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___42027_23_6 =  4.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx___42027_23_6 =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___42027_23_6 =  1.8E-05                                  ! [atm] type: E, ref: 588

! species:  2,4-pentanediol
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    625-69-4
! inchikey: GTCCGKPBSJZVRZ-UHFFFAOYSA-N
Hvpx_____625_69_4 =  1.4E-04                                  ! [atm] type: V, ref: 3067
Hvpx_____625_69_4 =  8.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_69_4 =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_69_4 =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_69_4 =  1.8E-05                                  ! [atm] type: E, ref: 588

! species:  3-methylbutane-1,2-diol
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    50468-22-9
! inchikey: HJJZIMFAIMUSBW-UHFFFAOYSA-N
Hvpx___50468_22_9 =  2.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___50468_22_9 =  6.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx___50468_22_9 =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  3-methylbutane-1,3-diol
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    2568-33-4
! inchikey: XPFCZYUVICHKDS-UHFFFAOYSA-N
Hvpx____2568_33_4 =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx____2568_33_4 =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx____2568_33_4 =  2.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  2-methylbutane-1,2-diol
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    41051-72-3
! inchikey: DOPZLYNWNJHAOS-UHFFFAOYSA-N
Hvpx___41051_72_3 =  3.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___41051_72_3 =  1.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___41051_72_3 =  4.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  2-methylbutane-1,3-diol
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    684-84-4
! inchikey: GNBPEYCZELNJMS-UHFFFAOYSA-N
Hvpx_____684_84_4 =  8.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____684_84_4 =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____684_84_4 =  2.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  2-methylbutane-1,4-diol
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    2938-98-9
! inchikey: MWCBGWLCXSUTHK-UHFFFAOYSA-N
Hvpx____2938_98_9 =  9.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx____2938_98_9 =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx____2938_98_9 =  8.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  2-methylbutane-2,3-diol
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    5396-58-7
! inchikey: IDEOPBXRUBNYBN-UHFFFAOYSA-N
Hvpx____5396_58_7 =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx____5396_58_7 =  7.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx____5396_58_7 =  2.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  2,2-dimethylpropane-1,3-diol
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    126-30-7
! inchikey: SLCVBVWXLSEKPL-UHFFFAOYSA-N
Hvpx_____126_30_7 =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____126_30_7 =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____126_30_7 =  8.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  2-(hydroxymethyl)-2-methyl-1,3-propanediol
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    77-85-0
! inchikey: QXJQHYBHAIHNGG-UHFFFAOYSA-N
Hvpx______77_85_0 =  6.1E-04                                  ! [atm] type: Q, ref: 3088

! species:  2-methylbutane-1,2,4-triol
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    62875-07-4
! inchikey: XYHGSPUTABMVOC-UHFFFAOYSA-N
Hvpx___62875_07_4 =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx___62875_07_4 =  5.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx___62875_07_4 =  3.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C56OH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RXEJCNRKXVSXDJ-UHFFFAOYSA-N
Hvpx_RXEJCNRKXVSXDJ_UHFFFAOYSA_N =  8.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RXEJCNRKXVSXDJ_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RXEJCNRKXVSXDJ_UHFFFAOYSA_N =  6.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO124C5
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MOIOWCZVZKHQIC-UHFFFAOYSA-N
Hvpx_MOIOWCZVZKHQIC_UHFFFAOYSA_N =  8.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MOIOWCZVZKHQIC_UHFFFAOYSA_N =  4.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MOIOWCZVZKHQIC_UHFFFAOYSA_N =  3.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO134C5
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ANUUQAHHEZMTAS-UHFFFAOYSA-N
Hvpx_ANUUQAHHEZMTAS_UHFFFAOYSA_N =  8.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ANUUQAHHEZMTAS_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ANUUQAHHEZMTAS_UHFFFAOYSA_N =  3.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MBOAOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QFZITDCVRJQLMZ-UHFFFAOYSA-N
Hvpx_QFZITDCVRJQLMZ_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QFZITDCVRJQLMZ_UHFFFAOYSA_N =  5.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QFZITDCVRJQLMZ_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  2-pentene-2,4,5-triol
! formula:  C_5H_{10}O_3
! trivial:  ME1TRIOL
! casrn:    UNKNOWN
! inchikey: MTMASQITBHTGFW-UHFFFAOYSA-N
Hvpx_MTMASQITBHTGFW_UHFFFAOYSA_N =  1.1E-08 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  2-methyl-3-butene-1,2,3-triol
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YXPJRFSYSVRDQI-UHFFFAOYSA-N
Hvpx_YXPJRFSYSVRDQI_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: M, ref: 3575
Hvpx_YXPJRFSYSVRDQI_UHFFFAOYSA_N =  3.7E-03                                  ! [atm] type: Q, ref: 3575
Hvpx_YXPJRFSYSVRDQI_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3575

! species:  (E)-2-methyl-1-butene-1,3,4-triol
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FVYHKVMWBMOFGS-DUXPYHPUSA-N
Hvpx_FVYHKVMWBMOFGS_DUXPYHPUSA_N =  8.8E-10                                  ! [atm] type: M, ref: 3575
Hvpx_FVYHKVMWBMOFGS_DUXPYHPUSA_N =  4.3E-03                                  ! [atm] type: Q, ref: 3575
Hvpx_FVYHKVMWBMOFGS_DUXPYHPUSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3575

! species:  (Z)-2-methyl-1-butene-1,3,4-triol
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FVYHKVMWBMOFGS-RQOWECAXSA-N
Hvpx_FVYHKVMWBMOFGS_RQOWECAXSA_N =  7.0E-10                                  ! [atm] type: M, ref: 3575
Hvpx_FVYHKVMWBMOFGS_RQOWECAXSA_N =  4.3E-03                                  ! [atm] type: Q, ref: 3575
Hvpx_FVYHKVMWBMOFGS_RQOWECAXSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3575

! species:  2-methylthreitol
! formula:  C_5H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HGVJFBSSLICXEM-WHFBIAKZSA-N
Hvpx_HGVJFBSSLICXEM_WHFBIAKZSA_N =  2.8E-09                                  ! [atm] type: M, ref: 3575
Hvpx_HGVJFBSSLICXEM_WHFBIAKZSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3575
Hvpx_HGVJFBSSLICXEM_WHFBIAKZSA_N =  1.6E-09                                  ! [atm] type: Q, ref: 3575

! species:  2-methylerythritol
! formula:  C_5H_{12}O_4
! trivial:  
! casrn:    93921-83-6
! inchikey: HGVJFBSSLICXEM-CRCLSJGQSA-N
Hvpx___93921_83_6 =  1.8E-09                                  ! [atm] type: M, ref: 3575
Hvpx___93921_83_6 =  2.3E-05                                  ! [atm] type: Q, ref: 3575
Hvpx___93921_83_6 =  1.6E-09                                  ! [atm] type: Q, ref: 3575
Hvpx___93921_83_6 =  8.8E-12                                  ! [atm] type: Q, ref: 3413
Hvpx___93921_83_6 =  1.8E-09                                  ! [atm] type: Q, ref: 3413
Hvpx___93921_83_6 =  1.8E-05                                  ! [atm] type: Q, ref: 3413

! species:  2-Methylbutane-1,2,3,4-tetrol
! formula:  C_5H_{12}O_4
! trivial:  MeBuTETROL
! casrn:    42933-13-1
! inchikey: HGVJFBSSLICXEM-UHFFFAOYSA-N
Hvpx___42933_13_1 =  8.9E-12 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  2,2-bis(hydroxymethyl)1,3-propanediol
! formula:  C_5H_{12}O_4
! trivial:  pentaerythritol
! casrn:    115-77-5
! inchikey: WXZMFSXDPGVJKK-UHFFFAOYSA-N
Hvpx_____115_77_5 =  7.5E-12                                  ! [atm] type: L, ref: 3500
Hvpx_____115_77_5 =  7.5E-12                                  ! [atm] type: L, ref: 3245
Hvpx_____115_77_5 =  7.5E-12 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx_____115_77_5 =  3.5E-10                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____115_77_5 =  2.3E-05                                  ! [atm] type: Q, ref: 3088
Hvpx_____115_77_5 =  4.6E-09                                  ! [atm] type: Q, ref: 3406
Hvpx_____115_77_5 =  2.3E-10                                  ! [atm] type: Q, ref: 3579

! species:  1,2,3,4,5-pentanepentol
! formula:  C_5H_{12}O_5
! trivial:  
! casrn:    7643-75-6
! inchikey: HEBKCHPVOIAQTA-UHFFFAOYSA-N
Hvpx____7643_75_6 =  6.1E-20                                  ! [atm] type: E, ref: 588

! species:  (2R,3R,4S)-pentane-1,2,3,4,5-pentol
! formula:  C_5H_{12}O_5
! trivial:  xylitol
! casrn:    87-99-0
! inchikey: HEBKCHPVOIAQTA-SCDXWVJYSA-N
Hvpx______87_99_0 =  1.1E-09                                  ! [atm] type: M, ref: 3575
Hvpx______87_99_0 =  1.4E-12 * EXP( -17000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx______87_99_0 =  8.3E-07                                  ! [atm] type: Q, ref: 3575
Hvpx______87_99_0 =  7.5E-13                                  ! [atm] type: Q, ref: 3575
Hvpx______87_99_0 =  8.3E-07                                  ! [atm] type: Q, ref: 3088

! species:  (2R,3S,4S)-pentane-1,2,3,4,5-pentol
! formula:  C_5H_{12}O_5
! trivial:  adonitol; ribitol
! casrn:    488-81-3
! inchikey: HEBKCHPVOIAQTA-ZXFHETKHSA-N
Hvpx_____488_81_3 =  1.2E-12 * EXP( -18000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067

! species:  (2R,4R)-pentane-1,2,3,4,5-pentol
! formula:  C_5H_{12}O_5
! trivial:  arabitol; arabinitol
! casrn:    2152-56-9
! inchikey: HEBKCHPVOIAQTA-QWWZWVQMSA-N
Hvpx____2152_56_9 =  5.5E-11                                  ! [atm] type: M, ref: 3575
Hvpx____2152_56_9 =  8.1E-13 * EXP( -18000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx____2152_56_9 =  8.3E-07                                  ! [atm] type: Q, ref: 3575
Hvpx____2152_56_9 =  7.5E-13                                  ! [atm] type: Q, ref: 3575

! species:  levoglucosan
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    498-07-7
! inchikey: TWNIBLMWSKIRAT-VFUOTHLCSA-N
Hvpx_____498_07_7 =  1.1E-11                                  ! [atm] type: M, ref: 3575
Hvpx_____498_07_7 =  7.9E-09                                  ! [atm] type: Q, ref: 3575
Hvpx_____498_07_7 =  1.3E-11                                  ! [atm] type: Q, ref: 3575

! species:  fructose
! formula:  C_6H_{12}O_6
! trivial:  
! casrn:    30237-26-4
! inchikey: BJHIKXHVCXFQLS-UYFOZJQFSA-N
Hvpx___30237_26_4 =  4.4E-10                                  ! [atm] type: M, ref: 3575
Hvpx___30237_26_4 =  5.4E-10                                  ! [atm] type: Q, ref: 3575
Hvpx___30237_26_4 =  3.4E-15                                  ! [atm] type: Q, ref: 3575

! species:  mannose
! formula:  C_6H_{12}O_6
! trivial:  
! casrn:    3458-28-4
! inchikey: GZCGUPFRVQAUEE-KVTDHHQDSA-N
Hvpx____3458_28_4 =  4.4E-10                                  ! [atm] type: M, ref: 3575
Hvpx____3458_28_4 =  3.3E-06                                  ! [atm] type: Q, ref: 3575
Hvpx____3458_28_4 =  4.0E-14                                  ! [atm] type: Q, ref: 3575

! species:  glucose
! formula:  C_6H_{12}O_6
! trivial:  
! casrn:    50-99-7
! inchikey: GZCGUPFRVQAUEE-SLPGGIOYSA-N
Hvpx______50_99_7 =  7.0E-10                                  ! [atm] type: M, ref: 3575
Hvpx______50_99_7 =  5.4E-10                                  ! [atm] type: Q, ref: 3575
Hvpx______50_99_7 =  3.1E-16                                  ! [atm] type: Q, ref: 3575

! species:  1,2-hexanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    6920-22-5
! inchikey: FHKSXSQHXQEMOK-UHFFFAOYSA-N
Hvpx____6920_22_5 =  3.3E-04                                  ! [atm] type: V, ref: 3067
Hvpx____6920_22_5 =  2.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx____6920_22_5 =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx____6920_22_5 =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  1,4-hexanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    16432-53-4
! inchikey: QVTWBMUAJHVAIJ-UHFFFAOYSA-N
Hvpx___16432_53_4 =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___16432_53_4 =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx___16432_53_4 =  3.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  1,6-hexanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    629-11-8
! inchikey: XXMIOPMDWAUFGU-UHFFFAOYSA-N
Hvpx_____629_11_8 =  1.2E-05                                  ! [atm] type: Q, ref: 3088
Hvpx_____629_11_8 =  1.8E-05                                  ! [atm] type: E, ref: 588

! species:  2,3-hexanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    617-30-1
! inchikey: QCIYAEYRVFUFAP-UHFFFAOYSA-N
Hvpx_____617_30_1 =  2.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____617_30_1 =  6.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____617_30_1 =  4.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  2,5-hexanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    2935-44-6
! inchikey: OHMBHFSEKCCCBW-UHFFFAOYSA-N
Hvpx____2935_44_6 =  4.0E-05                                  ! [atm] type: V, ref: 3067
Hvpx____2935_44_6 =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx____2935_44_6 =  9.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx____2935_44_6 =  2.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx____2935_44_6 =  2.8E-05                                  ! [atm] type: E, ref: 588

! species:  1,2-cyclohexanediol
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    931-17-9
! inchikey: PFURGBBHAOXLIO-UHFFFAOYSA-N
Hvpx_____931_17_9 =  8.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____931_17_9 =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____931_17_9 =  4.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  2-methyl-1,3-pentanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    149-31-5
! inchikey: SPXWGAHNKXLXAP-UHFFFAOYSA-N
Hvpx_____149_31_5 =  1.8E-05                                  ! [atm] type: E, ref: 588

! species:  2-methyl-1,4-pentanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    6287-17-8
! inchikey: PNJNLCNHYSWUPT-UHFFFAOYSA-N
Hvpx____6287_17_8 =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx____6287_17_8 =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx____6287_17_8 =  1.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  2-methyl-2,4-pentanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    107-41-5
! inchikey: SVTBMSDMJJWYQN-UHFFFAOYSA-N
Hvpx_____107_41_5 =  2.2E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____107_41_5 =  2.8E-05                                  ! [atm] type: E, ref: 588

! species:  3-methyl-1,3-pentanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    33879-72-0
! inchikey: HIYKOZFIVZIBFO-UHFFFAOYSA-N
Hvpx___33879_72_0 =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___33879_72_0 =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx___33879_72_0 =  6.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  3-methyl-1,4-pentanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    26787-63-3
! inchikey: WOHXXIWTEHLCQK-UHFFFAOYSA-N
Hvpx___26787_63_3 =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___26787_63_3 =  9.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx___26787_63_3 =  2.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  4-methyl-1,4-pentanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    1462-10-8
! inchikey: HAIVWDGLCRYQMC-UHFFFAOYSA-N
Hvpx____1462_10_8 =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx____1462_10_8 =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx____1462_10_8 =  2.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  2,3-dimethyl-2,3-butanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    76-09-5
! inchikey: IVDFJHOHABJVEH-UHFFFAOYSA-N
Hvpx______76_09_5 =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______76_09_5 =  6.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx______76_09_5 =  7.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  2,3-dimethyl-1,4-butanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    57716-80-0
! inchikey: SKQUTIPQJKQFRA-UHFFFAOYSA-N
Hvpx___57716_80_0 =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___57716_80_0 =  6.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx___57716_80_0 =  1.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  2,2-dimethyl-1,4-butanediol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    32812-23-0
! inchikey: GQSZUUPRBBBHRI-UHFFFAOYSA-N
Hvpx___32812_23_0 =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___32812_23_0 =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx___32812_23_0 =  2.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  1,2,6-hexanetriol
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    106-69-4
! inchikey: ZWVMLYRJXORSEP-UHFFFAOYSA-N
Hvpx_____106_69_4 =  2.8E-10                                  ! [atm] type: E, ref: 588

! species:  MCM:H134M3C5
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XPUHQLFLUQJINS-UHFFFAOYSA-N
Hvpx_XPUHQLFLUQJINS_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XPUHQLFLUQJINS_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XPUHQLFLUQJINS_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  1,2,3,4,5,6-hexahydroxy hexane
! formula:  C_6H_{14}O_6
! trivial:  
! casrn:    45007-61-2
! inchikey: FBPFZTCFMRRESA-UHFFFAOYSA-N
Hvpx___45007_61_2 =  1.4E-24                                  ! [atm] type: E, ref: 588

! species:  (2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
! formula:  C_6H_{14}O_6
! trivial:  sorbitol
! casrn:    50-70-4
! inchikey: FBPFZTCFMRRESA-JGWLITMVSA-N
Hvpx______50_70_4 =  8.3E-16 * EXP( -22000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx______50_70_4 =  4.0E-08                                  ! [atm] type: Q, ref: 3088

! species:  (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
! formula:  C_6H_{14}O_6
! trivial:  mannitol
! casrn:    69-65-8
! inchikey: FBPFZTCFMRRESA-KVTDHHQDSA-N
Hvpx______69_65_8 =  1.8E-10                                  ! [atm] type: M, ref: 3575
Hvpx______69_65_8 =  3.1E-16 * EXP( -22000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067
Hvpx______69_65_8 =  4.0E-08                                  ! [atm] type: Q, ref: 3575
Hvpx______69_65_8 =  5.3E-16                                  ! [atm] type: Q, ref: 3575
Hvpx______69_65_8 =  4.0E-08                                  ! [atm] type: Q, ref: 3088

! species:  (2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol
! formula:  C_6H_{14}O_6
! trivial:  dulcitol; galactitol
! casrn:    608-66-2
! inchikey: FBPFZTCFMRRESA-GUCUJZIJSA-N
Hvpx_____608_66_2 =  6.1E-16 * EXP( -22000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3067

! species:  1,2,4,5-cyclohexanetetrol
! formula:  C_6H_{12}O_4
! trivial:  1,2,4,5-tetrahydroxycyclohexane
! casrn:    35652-37-0
! inchikey: RDIDGZFQASQXBU-UHFFFAOYSA-N
Hvpx___35652_37_0 =  1.4E-15                                  ! [atm] type: E, ref: 588

! species:  1,2,3,4,5,6-hexahydroxycyclohexane
! formula:  C_6H_{12}O_6
! trivial:  
! casrn:    87-89-8
! inchikey: CDAISMWEOUEBRE-UHFFFAOYSA-N
Hvpx______87_89_8 =  5.5E-25                                  ! [atm] type: E, ref: 588

! species:  1,7-heptanediol
! formula:  C_7H_{16}O_2
! trivial:  
! casrn:    629-30-1
! inchikey: SXCBDZAEHILGLM-UHFFFAOYSA-N
Hvpx_____629_30_1 =  2.8E-05                                  ! [atm] type: E, ref: 588

! species:  2,4-heptanediol
! formula:  C_7H_{16}O_2
! trivial:  
! casrn:    20748-86-1
! inchikey: XVEOUOTUJBYHNL-UHFFFAOYSA-N
Hvpx___20748_86_1 =  2.8E-05                                  ! [atm] type: E, ref: 588

! species:  2,5-heptanediol
! formula:  C_7H_{16}O_2
! trivial:  
! casrn:    70444-25-6
! inchikey: XTVHTJKQKUOEQA-UHFFFAOYSA-N
Hvpx___70444_25_6 =  1.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___70444_25_6 =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx___70444_25_6 =  7.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  4-methyl-1,4-hexanediol
! formula:  C_7H_{16}O_2
! trivial:  
! casrn:    40646-08-0
! inchikey: ZRCYHJNCCBSTSZ-UHFFFAOYSA-N
Hvpx___40646_08_0 =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___40646_08_0 =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx___40646_08_0 =  4.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  2-methyl-2,5-hexanediol
! formula:  C_7H_{16}O_2
! trivial:  
! casrn:    29044-06-2
! inchikey: KZWQVDXGMOSSNY-UHFFFAOYSA-N
Hvpx___29044_06_2 =  1.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___29044_06_2 =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx___29044_06_2 =  4.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  3-methyl-2,5-hexanediol
! formula:  C_7H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PMORVUNYTOZCSE-UHFFFAOYSA-N
Hvpx_PMORVUNYTOZCSE_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PMORVUNYTOZCSE_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PMORVUNYTOZCSE_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  2,2-diethyl-1,3-propanediol
! formula:  C_7H_{16}O_2
! trivial:  
! casrn:    115-76-4
! inchikey: XRVCFZPJAHWYTB-UHFFFAOYSA-N
Hvpx_____115_76_4 =  2.8E-05                                  ! [atm] type: E, ref: 588

! species:  1,2,3,4,5-pentahydroxyheptane
! formula:  C_7H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HUYORHVLGRMTGF-UHFFFAOYSA-N
Hvpx_HUYORHVLGRMTGF_UHFFFAOYSA_N =  1.1E-19                                  ! [atm] type: E, ref: 588

! species:  1,2,3,4,6-pentahydroxyheptane
! formula:  C_7H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HBKKLPCMKBGRJH-UHFFFAOYSA-N
Hvpx_HBKKLPCMKBGRJH_UHFFFAOYSA_N =  1.4E-19                                  ! [atm] type: E, ref: 588

! species:  1,2,3,5,7-pentahydroxyheptane
! formula:  C_7H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NSOOVWLSFZLKQX-UHFFFAOYSA-N
Hvpx_NSOOVWLSFZLKQX_UHFFFAOYSA_N =  1.1E-19                                  ! [atm] type: E, ref: 588

! species:  1,2,3,4,5,6-hexahydroxyheptane
! formula:  C_7H_{16}O_6
! trivial:  1-deoxy-heptitol
! casrn:    688007-16-1
! inchikey: YMEXGEAJNZRQEH-VIFPVBQESA-N
Hvpx__688007_16_1 =  1.8E-24                                  ! [atm] type: E, ref: 588

! species:  3,6-octanediol
! formula:  C_8H_{18}O_2
! trivial:  
! casrn:    24434-09-1
! inchikey: BCKOQWWRTRBSGR-UHFFFAOYSA-N
Hvpx___24434_09_1 =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___24434_09_1 =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx___24434_09_1 =  2.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  1,4-cyclohexanedimethanol
! formula:  C_8H_{16}O_2
! trivial:  
! casrn:    105-08-8
! inchikey: YIMQCDZDWXUDCA-UHFFFAOYSA-N
Hvpx_____105_08_8 =  3.5E-06                                  ! [atm] type: V, ref: 3088

! species:  2-ethyl-1,3-hexanediol
! formula:  C_8H_{18}O_2
! trivial:  
! casrn:    94-96-2
! inchikey: RWLALWYNXFYRGW-UHFFFAOYSA-N
Hvpx______94_96_2 =  7.6E-04                                  ! [atm] type: V, ref: 3586
Hvpx______94_96_2 =  1.0E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______94_96_2 =  7.0E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______94_96_2 =  7.0E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______94_96_2 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______94_96_2 =  4.9E-03                                  ! [atm] type: Q, ref: 2521
Hvpx______94_96_2 =  7.3E-04                                  ! [atm] type: Q, ref: 2530
Hvpx______94_96_2 =  2.8E-05                                  ! [atm] type: E, ref: 588

! species:  2,2,4-trimethyl-1,3-pentanediol
! formula:  C_8H_{18}O_2
! trivial:  
! casrn:    144-19-4
! inchikey: JCTXKRPTIMZBJT-UHFFFAOYSA-N
Hvpx_____144_19_4 =  2.5E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____144_19_4 =  5.9E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____144_19_4 =  4.0E-02                                  ! [atm] type: Q, ref: 3088

! species:  2,5-dimethyl-2,5-hexanediol
! formula:  C_8H_{18}O_2
! trivial:  
! casrn:    110-03-2
! inchikey: ZWNMRZQYWRLGMM-UHFFFAOYSA-N
Hvpx_____110_03_2 =  4.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____110_03_2 =  2.9E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____110_03_2 =  6.9E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____110_03_2 =  1.2E-02                                  ! [atm] type: Q, ref: 2995

! species:  1,9-nonanediol
! formula:  C_9H_{20}O_2
! trivial:  
! casrn:    3937-56-2
! inchikey: ALVZNPYWJMLXKV-UHFFFAOYSA-N

! species:  3,6-nonanediol
! formula:  C_9H_{20}O_2
! trivial:  
! casrn:    4469-85-6
! inchikey: YKEWIFGQPMVBEF-UHFFFAOYSA-N
Hvpx____4469_85_6 =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx____4469_85_6 =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx____4469_85_6 =  3.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  1,10-decanediol
! formula:  C_{10}H_{22}O_2
! trivial:  
! casrn:    112-47-0
! inchikey: FOTKYAAJKYLFFN-UHFFFAOYSA-N

! species:  3,6-decanediol
! formula:  C_{10}H_{22}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RBFBEPALGOYNGK-UHFFFAOYSA-N
Hvpx_RBFBEPALGOYNGK_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RBFBEPALGOYNGK_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RBFBEPALGOYNGK_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:APINBOH
! formula:  C_{10}H_{18}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MOILFCKRQFQVFS-UHFFFAOYSA-N
Hvpx_MOILFCKRQFQVFS_UHFFFAOYSA_N =  9.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MOILFCKRQFQVFS_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MOILFCKRQFQVFS_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:APINCOH
! formula:  C_{10}H_{18}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OMDMTHRBGUBUCO-UHFFFAOYSA-N
Hvpx_OMDMTHRBGUBUCO_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OMDMTHRBGUBUCO_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OMDMTHRBGUBUCO_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BPINAOH
! formula:  C_{10}H_{18}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VXXAKGMRLUXFQH-UHFFFAOYSA-N
Hvpx_VXXAKGMRLUXFQH_UHFFFAOYSA_N =  9.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VXXAKGMRLUXFQH_UHFFFAOYSA_N =  7.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VXXAKGMRLUXFQH_UHFFFAOYSA_N =  5.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BPINCOH
! formula:  C_{10}H_{18}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XYKGEKWHBMLSGS-UHFFFAOYSA-N
Hvpx_XYKGEKWHBMLSGS_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XYKGEKWHBMLSGS_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XYKGEKWHBMLSGS_UHFFFAOYSA_N =  9.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO36C11
! formula:  C_{11}H_{24}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VCLRIEYYOZNUNU-UHFFFAOYSA-N
Hvpx_VCLRIEYYOZNUNU_UHFFFAOYSA_N =  2.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VCLRIEYYOZNUNU_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VCLRIEYYOZNUNU_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO36C12
! formula:  C_{12}H_{26}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CLQOYXKLYNGAHW-UHFFFAOYSA-N
Hvpx_CLQOYXKLYNGAHW_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CLQOYXKLYNGAHW_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CLQOYXKLYNGAHW_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  2-butene-1,4-diol
! formula:  C_4H_8O_2
! trivial:  
! casrn:    110-64-5
! inchikey: ORTVZLZNOYNASJ-UHFFFAOYSA-N
Hvpx_____110_64_5 =  1.6E-03                                  ! [atm] type: M, ref: 1195
Hvpx_____110_64_5 =  2.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_64_5 =  4.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_64_5 =  1.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  3-butene-1,2-diol
! formula:  C_4H_8O_2
! trivial:  
! casrn:    497-06-3
! inchikey: ITMIAZBRRZANGB-UHFFFAOYSA-N
Hvpx_____497_06_3 =  7.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____497_06_3 =  6.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____497_06_3 =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  2-butyne-1,4-diol
! formula:  C_4H_6O_2
! trivial:  1,4-dihydroxy-2-butyne
! casrn:    110-65-6
! inchikey: DLDJFQGPPSQZKI-UHFFFAOYSA-N
Hvpx_____110_65_6 =  2.7E-04                                  ! [atm] type: M, ref: 1195
Hvpx_____110_65_6 =  9.4E-07                                  ! [atm] type: V, ref: 3088

! species:  MCM:C524OH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PGARYUHLQUORKU-UHFFFAOYSA-N
Hvpx_PGARYUHLQUORKU_UHFFFAOYSA_N =  4.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PGARYUHLQUORKU_UHFFFAOYSA_N =  8.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PGARYUHLQUORKU_UHFFFAOYSA_N =  9.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ISOPAOH
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FLXLJBCLEUWWCG-UHFFFAOYSA-N
Hvpx_FLXLJBCLEUWWCG_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FLXLJBCLEUWWCG_UHFFFAOYSA_N =  7.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FLXLJBCLEUWWCG_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ISOPBOH
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XZRGYMKUQMPDQH-UHFFFAOYSA-N
Hvpx_XZRGYMKUQMPDQH_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_XZRGYMKUQMPDQH_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_XZRGYMKUQMPDQH_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ISOPDOH
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HBHXLSPUXXXICF-UHFFFAOYSA-N
Hvpx_HBHXLSPUXXXICF_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HBHXLSPUXXXICF_UHFFFAOYSA_N =  7.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HBHXLSPUXXXICF_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C622OH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VCGCHTQYUUAIGQ-UHFFFAOYSA-N
Hvpx_VCGCHTQYUUAIGQ_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VCGCHTQYUUAIGQ_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VCGCHTQYUUAIGQ_UHFFFAOYSA_N =  7.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C624OH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BZQZWOYZOVQJLT-UHFFFAOYSA-N
Hvpx_BZQZWOYZOVQJLT_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BZQZWOYZOVQJLT_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BZQZWOYZOVQJLT_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C720OH
! formula:  C_7H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JRLLENLHZCUEBJ-UHFFFAOYSA-N
Hvpx_JRLLENLHZCUEBJ_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JRLLENLHZCUEBJ_UHFFFAOYSA_N =  6.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JRLLENLHZCUEBJ_UHFFFAOYSA_N =  7.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMAOH
! formula:  C_{10}H_{18}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: WKZWTZTZWGWEGE-UHFFFAOYSA-N
Hvpx_WKZWTZTZWGWEGE_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WKZWTZTZWGWEGE_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WKZWTZTZWGWEGE_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMCOH
! formula:  C_{10}H_{18}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZJALAEQNHJQSTN-UHFFFAOYSA-N
Hvpx_ZJALAEQNHJQSTN_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZJALAEQNHJQSTN_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZJALAEQNHJQSTN_UHFFFAOYSA_N =  4.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  ($E$,$E$)-8,10-dodecadien-1-ol
! formula:  C_{12}H_{22}O
! trivial:  codlemone
! casrn:    33956-49-9
! inchikey: CSWBSLXBXRFNST-MQQKCMAXSA-N
Hvpx___33956_49_9 =  3.2E-01                                  ! [atm] type: ?, ref: 3766

! species:  MCM:BCAOH
! formula:  C_{15}H_{26}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XZTGVWRBZDBQLP-UHFFFAOYSA-N
Hvpx_XZTGVWRBZDBQLP_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_XZTGVWRBZDBQLP_UHFFFAOYSA_N =  4.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XZTGVWRBZDBQLP_UHFFFAOYSA_N =  5.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCCOH
! formula:  C_{15}H_{26}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ALNVAIGKARRJOT-UHFFFAOYSA-N
Hvpx_ALNVAIGKARRJOT_UHFFFAOYSA_N =  8.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ALNVAIGKARRJOT_UHFFFAOYSA_N =  3.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ALNVAIGKARRJOT_UHFFFAOYSA_N =  9.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  1,2-dihydroxybenzene
! formula:  C_6H_4(OH)_2
! trivial:  pyrocatechol
! casrn:    120-80-9
! inchikey: YCIMNLLNPGFGHC-UHFFFAOYSA-N
Hvpx_____120_80_9 =  6.6E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____120_80_9 =  6.6E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____120_80_9 =  3.0E-04                                  ! [atm] type: V, ref: 2613
Hvpx_____120_80_9 =  3.4E-03                                  ! [atm] type: V, ref: 2165
Hvpx_____120_80_9 =  1.2E-02                                  ! [atm] type: V, ref: 636
Hvpx_____120_80_9 =  2.1E-04                                  ! [atm] type: Q, ref: 3586
Hvpx_____120_80_9 =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____120_80_9 =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____120_80_9 =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____120_80_9 =  7.0E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____120_80_9 =  3.5E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____120_80_9 =  3.5E-06                                  ! [atm] type: Q, ref: 2546
Hvpx_____120_80_9 =  4.6E-04                                  ! [atm] type: Q, ref: 2521
Hvpx_____120_80_9 =  6.9E-04                                  ! [atm] type: Q, ref: 2530

! species:  1,3-dihydroxybenzene
! formula:  C_6H_4(OH)_2
! trivial:  resorcinol
! casrn:    108-46-3
! inchikey: GHMLBKRAJCXXBS-UHFFFAOYSA-N
Hvpx_____108_46_3 =  5.5E-06                                  ! [atm] type: V, ref: 3586
Hvpx_____108_46_3 =  5.5E-06                                  ! [atm] type: V, ref: 3088
Hvpx_____108_46_3 =  6.4E-06                                  ! [atm] type: V, ref: 2613
Hvpx_____108_46_3 =  1.1E-04                                  ! [atm] type: V, ref: 2165
Hvpx_____108_46_3 =  8.5E-06                                  ! [atm] type: X, ref: usepa82
Hvpx_____108_46_3 =  6.7E-06 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____108_46_3 =  3.9E-06                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_46_3 =  2.2E-05                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_46_3 =  1.0E-05                                  ! [atm] type: Q, ref: 2521

! species:  1,4-dihydroxybenzene
! formula:  C_6H_4(OH)_2
! trivial:  hydroquinone
! casrn:    123-31-9
! inchikey: QIGBRXMKCJKVMJ-UHFFFAOYSA-N
Hvpx_____123_31_9 =  2.6E-06                                  ! [atm] type: V, ref: 3586
Hvpx_____123_31_9 =  2.1E-06                                  ! [atm] type: V, ref: 3088
Hvpx_____123_31_9 =  2.2E-06                                  ! [atm] type: V, ref: 2613
Hvpx_____123_31_9 =  1.7E-05                                  ! [atm] type: V, ref: 2165
Hvpx_____123_31_9 =  2.2E-06                                  ! [atm] type: V, ref: 636
Hvpx_____123_31_9 =  2.1E-06                                  ! [atm] type: V, ref: 1145
Hvpx_____123_31_9 =  7.1E-05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_31_9 =  2.4E-06                                  ! [atm] type: Q, ref: 3682
Hvpx_____123_31_9 =  4.3E-06                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_31_9 =  1.8E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_31_9 =  4.4E-06                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_31_9 =  3.5E-06                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_31_9 =  1.5E-05                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_31_9 =  3.2E-06                                  ! [atm] type: Q, ref: 1145

! species:  1,2,3-benzenetriol
! formula:  C_6H_6O_3
! trivial:  pyrogallic acid
! casrn:    87-66-1
! inchikey: WQGWDDDVZFFDIG-UHFFFAOYSA-N
Hvpx______87_66_1 =  8.7E-06                                  ! [atm] type: V, ref: 3088
Hvpx______87_66_1 =  1.1E-07                                  ! [atm] type: Q, ref: 3406

! species:  1,2-dihydroxy-3-methylbenzene
! formula:  C_7H_8O_2
! trivial:  
! casrn:    488-17-5
! inchikey: PGSWEKYNAOWQDF-UHFFFAOYSA-N
Hvpx_____488_17_5 =  6.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____488_17_5 =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____488_17_5 =  7.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ECATECHOL
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: UUCQGNWZASKXNN-UHFFFAOYSA-N
Hvpx_UUCQGNWZASKXNN_UHFFFAOYSA_N =  7.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UUCQGNWZASKXNN_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UUCQGNWZASKXNN_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYCATECH
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: YGLVLWAMIJMBPF-UHFFFAOYSA-N
Hvpx_YGLVLWAMIJMBPF_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YGLVLWAMIJMBPF_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YGLVLWAMIJMBPF_UHFFFAOYSA_N =  9.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYCATECH
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RYHGQTREHREIBC-UHFFFAOYSA-N
Hvpx_RYHGQTREHREIBC_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RYHGQTREHREIBC_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RYHGQTREHREIBC_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYCATECH
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RGUZWBOJHNWZOK-UHFFFAOYSA-N
Hvpx_RGUZWBOJHNWZOK_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RGUZWBOJHNWZOK_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RGUZWBOJHNWZOK_UHFFFAOYSA_N =  7.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPCATECHOL
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XLZHGKDRKSKCAU-UHFFFAOYSA-N
Hvpx_XLZHGKDRKSKCAU_UHFFFAOYSA_N =  8.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XLZHGKDRKSKCAU_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XLZHGKDRKSKCAU_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METCATECH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: IFERDVOUSBGAOD-UHFFFAOYSA-N
Hvpx_IFERDVOUSBGAOD_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IFERDVOUSBGAOD_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IFERDVOUSBGAOD_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETCATECH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: QTXIMHKRKLVXRS-UHFFFAOYSA-N
Hvpx_QTXIMHKRKLVXRS_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QTXIMHKRKLVXRS_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QTXIMHKRKLVXRS_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PCATECHOL
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GOZVFLWHGAXTPA-UHFFFAOYSA-N
Hvpx_GOZVFLWHGAXTPA_UHFFFAOYSA_N =  9.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GOZVFLWHGAXTPA_UHFFFAOYSA_N =  3.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GOZVFLWHGAXTPA_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETCATECH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: WVRWBYUJPWRFQO-UHFFFAOYSA-N
Hvpx_WVRWBYUJPWRFQO_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WVRWBYUJPWRFQO_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WVRWBYUJPWRFQO_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:T123CATECH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: DEIKGXRMQUHZJD-UHFFFAOYSA-N
Hvpx_DEIKGXRMQUHZJD_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DEIKGXRMQUHZJD_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DEIKGXRMQUHZJD_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:T124CATECH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: NZEZVJPYSAXNTR-UHFFFAOYSA-N
Hvpx_NZEZVJPYSAXNTR_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NZEZVJPYSAXNTR_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NZEZVJPYSAXNTR_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  2,3-dihydroxynaphthalene
! formula:  C_{10}H_8O_2
! trivial:  
! casrn:    92-44-4
! inchikey: JRNGUTKWMSBIBF-UHFFFAOYSA-N
Hvpx______92_44_4 =  2.7E-06                                  ! [atm] type: ?, ref: 3766

! species:  hexylresorcinol
! formula:  C_{12}H_{18}O_2
! trivial:  
! casrn:    136-77-6
! inchikey: WFJIVOKAWHGMBH-UHFFFAOYSA-N
Hvpx_____136_77_6 =  1.4E-05                                  ! [atm] type: Q, ref: 3088

! species:  2,6-bis(1,1-dimethylethyl)phenol
! formula:  C_{14}H_{22}O
! trivial:  
! casrn:    128-39-2
! inchikey: DKCPKDPYUFEZCP-UHFFFAOYSA-N
Hvpx_____128_39_2 =  1.7E-01                                  ! [atm] type: Q, ref: 3088

! species:  4-(1-methyl-1-phenylethyl)phenol
! formula:  C_{15}H_{16}O
! trivial:  
! casrn:    599-64-4
! inchikey: QBDSZLJBMIMQRS-UHFFFAOYSA-N
Hvpx_____599_64_4 =  4.9E-03                                  ! [atm] type: Q, ref: 3088

! species:  2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl-1,1'-spirobi(1H-indene)-6,6'-diol
! formula:  C_{21}H_{24}O_2
! trivial:  
! casrn:    1568-80-5
! inchikey: SICLLPHPVFCNTJ-UHFFFAOYSA-N
Hvpx____1568_80_5 =  3.7E-07                                  ! [atm] type: Q, ref: 2995
Hvpx____1568_80_5 =  5.3E-07                                  ! [atm] type: Q, ref: 2995
Hvpx____1568_80_5 =  2.5E-07                                  ! [atm] type: Q, ref: 2995
Hvpx____1568_80_5 =  6.6E-07                                  ! [atm] type: Q, ref: 2995

! species:  4,4'-(3,3,5-trimethylcyclohexane-1,1-diyl)diphenol
! formula:  C_{21}H_{26}O_2
! trivial:  
! casrn:    129188-99-4
! inchikey: UMPGNGRIGSEMTC-UHFFFAOYSA-N
Hvpx__129188_99_4 =  1.2E-06                                  ! [atm] type: Q, ref: 2995
Hvpx__129188_99_4 =  1.7E-06                                  ! [atm] type: Q, ref: 2995
Hvpx__129188_99_4 =  2.0E-07                                  ! [atm] type: Q, ref: 2995
Hvpx__129188_99_4 =  6.9E-07                                  ! [atm] type: Q, ref: 2995

! species:  3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-5,5',6,6'-tetrol
! formula:  C_{21}H_{24}O_4
! trivial:  
! casrn:    77-08-7
! inchikey: POFMQEVZKZVAPQ-UHFFFAOYSA-N
Hvpx______77_08_7 =  4.0E-15                                  ! [atm] type: Q, ref: 2995
Hvpx______77_08_7 =  3.4E-11                                  ! [atm] type: Q, ref: 2995
Hvpx______77_08_7 =  2.8E-12                                  ! [atm] type: Q, ref: 2995
Hvpx______77_08_7 =  2.0E-11                                  ! [atm] type: Q, ref: 2995

! species:  9,9-bis(4-hydroxyphenyl)fluorene
! formula:  C_{25}H_{18}O_2
! trivial:  
! casrn:    3236-71-3
! inchikey: YWFPGFJLYRKYJZ-UHFFFAOYSA-N
Hvpx____3236_71_3 =  6.5E-10                                  ! [atm] type: Q, ref: 2995
Hvpx____3236_71_3 =  8.7E-09                                  ! [atm] type: Q, ref: 2995
Hvpx____3236_71_3 =  2.6E-09                                  ! [atm] type: Q, ref: 2995
Hvpx____3236_71_3 =  1.7E-10                                  ! [atm] type: Q, ref: 2995

! species:  methyl hydroperoxide
! formula:  CH_3OOH
! trivial:  methyl peroxide
! casrn:    3031-73-0
! inchikey: MEUKEBNAABNAEX-UHFFFAOYSA-N
Hvpx____3031_73_0 =  1.8E-01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____3031_73_0 =  1.8E-01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____3031_73_0 =  1.8E-01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx____3031_73_0 =  1.9E-01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx____3031_73_0 =  1.8E-01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____3031_73_0 =  1.8E-01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx____3031_73_0 =  1.8E-01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx____3031_73_0 =  2.2E-01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2913
Hvpx____3031_73_0 =  7.9E-02                                  ! [atm] type: M, ref: 844
Hvpx____3031_73_0 =  4.6E-02                                  ! [atm] type: M, ref: 1200
Hvpx____3031_73_0 =  1.8E-01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 516
Hvpx____3031_73_0 =  1.8E-01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 311
Hvpx____3031_73_0 =  5.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____3031_73_0 =  5.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____3031_73_0 =  8.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____3031_73_0 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____3031_73_0 =  4.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____3031_73_0 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____3031_73_0 =  6.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____3031_73_0 =  4.2E-02                                  ! [atm] type: Q, ref: 2530

! species:  ethyl hydroperoxide
! formula:  C_2H_5OOH
! trivial:  ethyl peroxide
! casrn:    3031-74-1
! inchikey: ILHIHKRJJMKBEE-UHFFFAOYSA-N
Hvpx____3031_74_1 =  1.6E-01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____3031_74_1 =  1.6E-01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____3031_74_1 =  1.6E-01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx____3031_74_1 =  1.6E-01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____3031_74_1 =  4.9E-02                                  ! [atm] type: M, ref: 1200
Hvpx____3031_74_1 =  1.6E-01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 516
Hvpx____3031_74_1 =  1.1E-01                                  ! [atm] type: Q, ref: 3730
Hvpx____3031_74_1 =  5.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx____3031_74_1 =  6.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____3031_74_1 =  6.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____3031_74_1 =  9.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____3031_74_1 =  1.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____3031_74_1 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____3031_74_1 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____3031_74_1 =  9.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____3031_74_1 =  1.6E-01                                  ! [atm] type: ?, ref: 3586

! species:  hydroxymethyl hydroperoxide
! formula:  HOCH_2OOH
! trivial:  HMHP; HMP
! casrn:    15932-89-5
! inchikey: NEZWFWIACBUQMN-UHFFFAOYSA-N
Hvpx___15932_89_5 =  3.3E-05 * EXP(  -9900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx___15932_89_5 =  3.3E-05 * EXP(  -9900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx___15932_89_5 =  3.3E-05 * EXP(  -9900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx___15932_89_5 =  3.3E-05 * EXP(  -9900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx___15932_89_5 =  3.3E-05 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx___15932_89_5 =  3.3E-05 * EXP(  -9700.*(1./T-1./298.15)) ! [atm] type: M, ref: 516
Hvpx___15932_89_5 =  3.4E-05 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 799
Hvpx___15932_89_5 =  1.2E-04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 800
Hvpx___15932_89_5 =  3.5E-05                                  ! [atm] type: Q, ref: 2546
Hvpx___15932_89_5 =  3.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx___15932_89_5 =  1.4E-05                                  ! [atm] type: Q, ref: 2546

! species:  bis-(hydroxymethyl)-peroxide
! formula:  HOCH_2OOCH_2OH
! trivial:  BHMP
! casrn:    17088-73-2
! inchikey: JLJXMZMKMRQOLN-UHFFFAOYSA-N
Hvpx___17088_73_2 =  5.5E-06                                  ! [atm] type: M, ref: 799
Hvpx___17088_73_2 =  1.2E-04 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: M, ref: 800

! species:  {\it tert}-butyl hydroperoxide
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    75-91-2
! inchikey: CIHOLLKRGTVIJN-UHFFFAOYSA-N
Hvpx______75_91_2 =  1.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_91_2 =  4.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_91_2 =  1.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_91_2 =  8.9E-01                                  ! [atm] type: Q, ref: 3088

! species:  di-{\it tert}-butylperoxide
! formula:  C_8H_{18}O_2
! trivial:  
! casrn:    110-05-4
! inchikey: LSXWFXONGKSEMY-UHFFFAOYSA-N
Hvpx_____110_05_4 =  6.6E+02                                  ! [atm] type: Q, ref: 3088
Hvpx_____110_05_4 =  4.4E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_05_4 =  3.4E+01                                  ! [atm] type: Q, ref: 2530

! species:  1-methyl-1-phenylethylhydroperoxide
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    80-15-9
! inchikey: YQHLDYVWEZKEOX-UHFFFAOYSA-N
Hvpx______80_15_9 =  2.6E-03                                  ! [atm] type: V, ref: 3586
Hvpx______80_15_9 =  2.6E-03                                  ! [atm] type: V, ref: 3088
Hvpx______80_15_9 =  2.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______80_15_9 =  4.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______80_15_9 =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______80_15_9 =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______80_15_9 =  2.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______80_15_9 =  7.5E-03                                  ! [atm] type: Q, ref: 2530

! species:  dicumyl peroxide
! formula:  C_{18}H_{22}O_2
! trivial:  
! casrn:    80-43-3
! inchikey: XMNIXWIUMCBBBL-UHFFFAOYSA-N
Hvpx______80_43_3 =  2.4E+00                                  ! [atm] type: Q, ref: 3088

! species:  methylperoxy radical
! formula:  CH_3OO
! trivial:  
! casrn:    2143-58-0
! inchikey: WTFNSXYULBQCQV-UHFFFAOYSA-N
Hvpx____2143_58_0 =  3.7E+00 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: E, ref: 1442
Hvpx____2143_58_0 =  9.2E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: E, ref: 46

! species:  hydroxymethylperoxy radical
! formula:  HOCH_2OO
! trivial:  
! casrn:    27828-51-9
! inchikey: OLHGCLQZCFQBGO-UHFFFAOYSA-N
Hvpx___27828_51_9 =  6.9E-04 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: E, ref: 1442

! species:  peroxyacetyl radical
! formula:  CH_3C(O)O_2
! trivial:  
! casrn:    36709-10-1
! inchikey: ZBQKPDHUDKSCRS-UHFFFAOYSA-N
Hvpx___36709_10_1 =  5.5E+02                                  ! [atm] type: L, ref: 3500
Hvpx___36709_10_1 =  5.5E+02                                  ! [atm] type: L, ref: 3245
Hvpx___36709_10_1 =  5.5E+02                                  ! [atm] type: L, ref: 2626
Hvpx___36709_10_1 =  5.5E+02                                  ! [atm] type: L, ref: 1945
Hvpx___36709_10_1 =  5.5E+02                                  ! [atm] type: M, ref: 995

! species:  MCM:ACO3H
! formula:  C_3H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AZIQALWHRUQPHV-UHFFFAOYSA-N
Hvpx_AZIQALWHRUQPHV_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AZIQALWHRUQPHV_UHFFFAOYSA_N =  3.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AZIQALWHRUQPHV_UHFFFAOYSA_N =  2.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IC3H7OOH
! formula:  C_3H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SGJUFIMCHSLMRJ-UHFFFAOYSA-N
Hvpx_SGJUFIMCHSLMRJ_UHFFFAOYSA_N =  7.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SGJUFIMCHSLMRJ_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_SGJUFIMCHSLMRJ_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC3H7OOH
! formula:  C_3H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: TURGQPDWYFJEDY-UHFFFAOYSA-N
Hvpx_TURGQPDWYFJEDY_UHFFFAOYSA_N =  8.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_TURGQPDWYFJEDY_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_TURGQPDWYFJEDY_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PERPROACID
! formula:  C_3H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CZPZWMPYEINMCF-UHFFFAOYSA-N
Hvpx_CZPZWMPYEINMCF_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CZPZWMPYEINMCF_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_CZPZWMPYEINMCF_UHFFFAOYSA_N =  8.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3DBCO3H
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: TXNBRZBEFMJQMW-UHFFFAOYSA-N
Hvpx_TXNBRZBEFMJQMW_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_TXNBRZBEFMJQMW_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_TXNBRZBEFMJQMW_UHFFFAOYSA_N =  1.0E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IC4H9OOH
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FUHWWEDRJKHMKK-UHFFFAOYSA-N
Hvpx_FUHWWEDRJKHMKK_UHFFFAOYSA_N =  9.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FUHWWEDRJKHMKK_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FUHWWEDRJKHMKK_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MACO3H
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OELQSSWXRGADDE-UHFFFAOYSA-N
Hvpx_OELQSSWXRGADDE_UHFFFAOYSA_N =  3.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OELQSSWXRGADDE_UHFFFAOYSA_N =  6.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OELQSSWXRGADDE_UHFFFAOYSA_N =  3.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  IEPOX1CO3H
! formula:  C_4H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DJPWYFXNRMHUNU-UHFFFAOYSA-N
Hvpx_DJPWYFXNRMHUNU_UHFFFAOYSA_N =  6.1E-04 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  MCM:NC4H9OOH
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: AKUNSTOMHUXJOZ-UHFFFAOYSA-N
Hvpx_AKUNSTOMHUXJOZ_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_AKUNSTOMHUXJOZ_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_AKUNSTOMHUXJOZ_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PERBUACID
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LBAYFEDWGHXMSM-UHFFFAOYSA-N
Hvpx_LBAYFEDWGHXMSM_UHFFFAOYSA_N =  7.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LBAYFEDWGHXMSM_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_LBAYFEDWGHXMSM_UHFFFAOYSA_N =  1.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PERIBUACID
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LVQKOPBJHBWELS-UHFFFAOYSA-N
Hvpx_LVQKOPBJHBWELS_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LVQKOPBJHBWELS_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_LVQKOPBJHBWELS_UHFFFAOYSA_N =  2.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:SC4H9OOH
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SPQMVUPFYWDFCB-UHFFFAOYSA-N
Hvpx_SPQMVUPFYWDFCB_UHFFFAOYSA_N =  9.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SPQMVUPFYWDFCB_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_SPQMVUPFYWDFCB_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUT2CO3H
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LWBFPIVRZGBOFS-UHFFFAOYSA-N
Hvpx_LWBFPIVRZGBOFS_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LWBFPIVRZGBOFS_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_LWBFPIVRZGBOFS_UHFFFAOYSA_N =  3.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3ME3CO3H
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GTLLKMCVRPVGBK-UHFFFAOYSA-N
Hvpx_GTLLKMCVRPVGBK_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GTLLKMCVRPVGBK_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_GTLLKMCVRPVGBK_UHFFFAOYSA_N =  2.0E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPEAOOH
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HIHRAMNMOMKJDG-UHFFFAOYSA-N
Hvpx_HIHRAMNMOMKJDG_UHFFFAOYSA_N =  9.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HIHRAMNMOMKJDG_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_HIHRAMNMOMKJDG_UHFFFAOYSA_N =  2.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPEBOOH
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VIUWCQFVAFABHL-UHFFFAOYSA-N
Hvpx_VIUWCQFVAFABHL_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VIUWCQFVAFABHL_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VIUWCQFVAFABHL_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPECOOH
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XRXANEMIFVRKLN-UHFFFAOYSA-N
Hvpx_XRXANEMIFVRKLN_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XRXANEMIFVRKLN_UHFFFAOYSA_N =  5.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XRXANEMIFVRKLN_UHFFFAOYSA_N =  2.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NEOPOOH
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: UEQURRFROJBOLG-UHFFFAOYSA-N
Hvpx_UEQURRFROJBOLG_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_UEQURRFROJBOLG_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_UEQURRFROJBOLG_UHFFFAOYSA_N =  2.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PEAOOH
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: KCHNMIKAMRQBHD-UHFFFAOYSA-N
Hvpx_KCHNMIKAMRQBHD_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KCHNMIKAMRQBHD_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KCHNMIKAMRQBHD_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PEBOOH
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XRIRVAYMWUMXBR-UHFFFAOYSA-N
Hvpx_XRIRVAYMWUMXBR_UHFFFAOYSA_N =  9.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_XRIRVAYMWUMXBR_UHFFFAOYSA_N =  3.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XRIRVAYMWUMXBR_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PECOOH
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RLBQWRSRDVXRTJ-UHFFFAOYSA-N
Hvpx_RLBQWRSRDVXRTJ_UHFFFAOYSA_N =  9.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RLBQWRSRDVXRTJ_UHFFFAOYSA_N =  3.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_RLBQWRSRDVXRTJ_UHFFFAOYSA_N =  4.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PERPENACID
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UQGPCEVQKLOLLM-UHFFFAOYSA-N
Hvpx_UQGPCEVQKLOLLM_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UQGPCEVQKLOLLM_UHFFFAOYSA_N =  2.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_UQGPCEVQKLOLLM_UHFFFAOYSA_N =  1.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TBUTCO3H
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YVAACGXAZGGQSM-UHFFFAOYSA-N
Hvpx_YVAACGXAZGGQSM_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YVAACGXAZGGQSM_UHFFFAOYSA_N =  3.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_YVAACGXAZGGQSM_UHFFFAOYSA_N =  3.4E+01                                  ! [atm] type: Q, ref: 3409

! species:  C520OOH
! formula:  C_5H_{10}O_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: GRPDYNZWDDUILX-UHFFFAOYSA-N
Hvpx_GRPDYNZWDDUILX_UHFFFAOYSA_N =  1.0E-12 * EXP( -22000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C518OOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PQEISBQMLHJHJQ-UHFFFAOYSA-N
Hvpx_PQEISBQMLHJHJQ_UHFFFAOYSA_N =  1.3E-05 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  MCM:C54CO3H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JTSRVXQXWWOTER-UHFFFAOYSA-N
Hvpx_JTSRVXQXWWOTER_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JTSRVXQXWWOTER_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_JTSRVXQXWWOTER_UHFFFAOYSA_N =  3.8E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5H11CO3H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NQUPKCJGWCPODR-UHFFFAOYSA-N
Hvpx_NQUPKCJGWCPODR_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NQUPKCJGWCPODR_UHFFFAOYSA_N =  3.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_NQUPKCJGWCPODR_UHFFFAOYSA_N =  2.2E+01                                  ! [atm] type: Q, ref: 3409

! species:  ROO6R7OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UPAWKBDHGPWUCG-UHFFFAOYSA-N
Hvpx_UPAWKBDHGPWUCG_UHFFFAOYSA_N =  1.7E-08 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  ROO6R6OOH
! formula:  C_6H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QZPUZDFJKAEVLL-UHFFFAOYSA-N
Hvpx_QZPUZDFJKAEVLL_UHFFFAOYSA_N =  2.1E-09 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C624OOH
! formula:  C_6H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: FUTSLQULSAKEJA-UHFFFAOYSA-N
Hvpx_FUTSLQULSAKEJA_UHFFFAOYSA_N =  4.6E-14 * EXP( -20000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  MCM:CHEXOOH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FGGJBCRKSVGDPO-UHFFFAOYSA-N
Hvpx_FGGJBCRKSVGDPO_UHFFFAOYSA_N =  4.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FGGJBCRKSVGDPO_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FGGJBCRKSVGDPO_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEXAOOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RZICEOJUAFHYFO-UHFFFAOYSA-N
Hvpx_RZICEOJUAFHYFO_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_RZICEOJUAFHYFO_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_RZICEOJUAFHYFO_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEXBOOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XWXUHAUZCICPHE-UHFFFAOYSA-N
Hvpx_XWXUHAUZCICPHE_UHFFFAOYSA_N =  5.5E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_XWXUHAUZCICPHE_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XWXUHAUZCICPHE_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XWXUHAUZCICPHE_UHFFFAOYSA_N =  3.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEXCOOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: NMNOLZYZNVYLRJ-UHFFFAOYSA-N
Hvpx_NMNOLZYZNVYLRJ_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_NMNOLZYZNVYLRJ_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_NMNOLZYZNVYLRJ_UHFFFAOYSA_N =  5.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M22C3CO3H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RQLGMECUXRQENU-UHFFFAOYSA-N
Hvpx_RQLGMECUXRQENU_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RQLGMECUXRQENU_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_RQLGMECUXRQENU_UHFFFAOYSA_N =  2.6E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M22C43OOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XDWQBMWWYOVNSC-UHFFFAOYSA-N
Hvpx_XDWQBMWWYOVNSC_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XDWQBMWWYOVNSC_UHFFFAOYSA_N =  3.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XDWQBMWWYOVNSC_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M22C4OOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VWOCCXGIWJLCIT-UHFFFAOYSA-N
Hvpx_VWOCCXGIWJLCIT_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VWOCCXGIWJLCIT_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VWOCCXGIWJLCIT_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M23C43OOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: UPTQBPSUWRBZRD-UHFFFAOYSA-N
Hvpx_UPTQBPSUWRBZRD_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_UPTQBPSUWRBZRD_UHFFFAOYSA_N =  5.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_UPTQBPSUWRBZRD_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M23C4OOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MCTQHWIBGOKRHO-UHFFFAOYSA-N
Hvpx_MCTQHWIBGOKRHO_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_MCTQHWIBGOKRHO_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_MCTQHWIBGOKRHO_UHFFFAOYSA_N =  3.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2C43CO3H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KGAQRBNLHLEGET-UHFFFAOYSA-N
Hvpx_KGAQRBNLHLEGET_UHFFFAOYSA_N =  8.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KGAQRBNLHLEGET_UHFFFAOYSA_N =  3.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KGAQRBNLHLEGET_UHFFFAOYSA_N =  2.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2PEAOOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OTKKOLXSCMINFN-UHFFFAOYSA-N
Hvpx_OTKKOLXSCMINFN_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_OTKKOLXSCMINFN_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_OTKKOLXSCMINFN_UHFFFAOYSA_N =  4.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2PEBOOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XHHITPKXZQXJIC-UHFFFAOYSA-N
Hvpx_XHHITPKXZQXJIC_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XHHITPKXZQXJIC_UHFFFAOYSA_N =  3.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XHHITPKXZQXJIC_UHFFFAOYSA_N =  2.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2PECOOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JBJSMFBSVBRLAK-UHFFFAOYSA-N
Hvpx_JBJSMFBSVBRLAK_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_JBJSMFBSVBRLAK_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_JBJSMFBSVBRLAK_UHFFFAOYSA_N =  5.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2PEDOOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BZGMEGUFFDTCNP-UHFFFAOYSA-N
Hvpx_BZGMEGUFFDTCNP_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BZGMEGUFFDTCNP_UHFFFAOYSA_N =  6.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BZGMEGUFFDTCNP_UHFFFAOYSA_N =  4.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M33C3CO3H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IHLWWYDUPGXTHJ-UHFFFAOYSA-N
Hvpx_IHLWWYDUPGXTHJ_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IHLWWYDUPGXTHJ_UHFFFAOYSA_N =  4.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_IHLWWYDUPGXTHJ_UHFFFAOYSA_N =  6.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M33C4OOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OUMLJDCULPJYHU-UHFFFAOYSA-N
Hvpx_OUMLJDCULPJYHU_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_OUMLJDCULPJYHU_UHFFFAOYSA_N =  3.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_OUMLJDCULPJYHU_UHFFFAOYSA_N =  3.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3C4CO3H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CHSVHHKRTQKZCN-UHFFFAOYSA-N
Hvpx_CHSVHHKRTQKZCN_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CHSVHHKRTQKZCN_UHFFFAOYSA_N =  3.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_CHSVHHKRTQKZCN_UHFFFAOYSA_N =  2.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3PEAOOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: AOZFMIRWQXSLHO-UHFFFAOYSA-N
Hvpx_AOZFMIRWQXSLHO_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_AOZFMIRWQXSLHO_UHFFFAOYSA_N =  2.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_AOZFMIRWQXSLHO_UHFFFAOYSA_N =  2.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3PEBOOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XCSSHHOKPSJZJS-UHFFFAOYSA-N
Hvpx_XCSSHHOKPSJZJS_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XCSSHHOKPSJZJS_UHFFFAOYSA_N =  2.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XCSSHHOKPSJZJS_UHFFFAOYSA_N =  2.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3PECOOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BWMWVYKKWYNWMF-UHFFFAOYSA-N
Hvpx_BWMWVYKKWYNWMF_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BWMWVYKKWYNWMF_UHFFFAOYSA_N =  7.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BWMWVYKKWYNWMF_UHFFFAOYSA_N =  4.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  ROO6R5OOH
! formula:  C_7H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: RAASFOSVQCCDRJ-UHFFFAOYSA-N
Hvpx_RAASFOSVQCCDRJ_UHFFFAOYSA_N =  1.2E-08 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  MCM:C6H13CO3H
! formula:  C_7H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GLAYRDYYNSCSPO-UHFFFAOYSA-N
Hvpx_GLAYRDYYNSCSPO_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GLAYRDYYNSCSPO_UHFFFAOYSA_N =  4.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_GLAYRDYYNSCSPO_UHFFFAOYSA_N =  2.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEPTOOH
! formula:  C_7H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RCPMMXGHMBPBLI-UHFFFAOYSA-N
Hvpx_RCPMMXGHMBPBLI_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_RCPMMXGHMBPBLI_UHFFFAOYSA_N =  4.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_RCPMMXGHMBPBLI_UHFFFAOYSA_N =  5.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2HEXAOOH
! formula:  C_7H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MZRXBNCEXTUOSL-UHFFFAOYSA-N
Hvpx_MZRXBNCEXTUOSL_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_MZRXBNCEXTUOSL_UHFFFAOYSA_N =  4.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_MZRXBNCEXTUOSL_UHFFFAOYSA_N =  2.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2HEXBOOH
! formula:  C_7H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VERXWMXNIBWXFV-UHFFFAOYSA-N
Hvpx_VERXWMXNIBWXFV_UHFFFAOYSA_N =  2.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VERXWMXNIBWXFV_UHFFFAOYSA_N =  8.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VERXWMXNIBWXFV_UHFFFAOYSA_N =  5.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3HEXAOOH
! formula:  C_7H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SLXXGGKZGKGOKQ-UHFFFAOYSA-N
Hvpx_SLXXGGKZGKGOKQ_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_SLXXGGKZGKGOKQ_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_SLXXGGKZGKGOKQ_UHFFFAOYSA_N =  4.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3HEXBOOH
! formula:  C_7H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: YDBMAIVJCSJSKQ-UHFFFAOYSA-N
Hvpx_YDBMAIVJCSJSKQ_UHFFFAOYSA_N =  2.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_YDBMAIVJCSJSKQ_UHFFFAOYSA_N =  8.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_YDBMAIVJCSJSKQ_UHFFFAOYSA_N =  4.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  1-methylhexyl hydroperoxide
! formula:  C_7H_{16}O_2
! trivial:  C7H15O2H
! casrn:    762-46-9
! inchikey: FWELUXZVATZEMI-UHFFFAOYSA-N
Hvpx_____762_46_9 =  7.1E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C7OHOOH
! formula:  C_7H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KHWIBANUCNWWGW-UHFFFAOYSA-N
Hvpx_KHWIBANUCNWWGW_UHFFFAOYSA_N =  1.3E-04 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  MCM:C8BCOOH
! formula:  C_8H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: TWXDGALDAWYAQL-UHFFFAOYSA-N
Hvpx_TWXDGALDAWYAQL_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_TWXDGALDAWYAQL_UHFFFAOYSA_N =  7.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_TWXDGALDAWYAQL_UHFFFAOYSA_N =  5.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OCTOOH
! formula:  C_8H_{18}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PXUMFRDGKQLDGL-UHFFFAOYSA-N
Hvpx_PXUMFRDGKQLDGL_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_PXUMFRDGKQLDGL_UHFFFAOYSA_N =  5.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_PXUMFRDGKQLDGL_UHFFFAOYSA_N =  5.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  1-methylheptl hydroperoxide
! formula:  C_8H_{18}O_2
! trivial:  C8H17O2H
! casrn:    UNKNOWN
! inchikey: NAXZMRYIZGEALQ-UHFFFAOYSA-N
Hvpx_NAXZMRYIZGEALQ_UHFFFAOYSA_N =  9.4E-01 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C8OHOOH
! formula:  C_8H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QQTSMKQYSKGCOU-UHFFFAOYSA-N
Hvpx_QQTSMKQYSKGCOU_UHFFFAOYSA_N =  1.7E-04 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  MCM:NONOOH
! formula:  C_9H_{20}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BXPIMWLPPYUCSQ-UHFFFAOYSA-N
Hvpx_BXPIMWLPPYUCSQ_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BXPIMWLPPYUCSQ_UHFFFAOYSA_N =  6.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BXPIMWLPPYUCSQ_UHFFFAOYSA_N =  5.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DECOOH
! formula:  C_{10}H_{22}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MPMVWDJTKHXCAN-UHFFFAOYSA-N
Hvpx_MPMVWDJTKHXCAN_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_MPMVWDJTKHXCAN_UHFFFAOYSA_N =  7.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_MPMVWDJTKHXCAN_UHFFFAOYSA_N =  4.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  C5H112O2H
! formula:  C_{10}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AXIHYONNAPPFSO-UHFFFAOYSA-N
Hvpx_AXIHYONNAPPFSO_UHFFFAOYSA_N =  4.0E-01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  LIMAB15OOH2
! formula:  C_{10}H_{20}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: IRUZCTPAAZATQM-UHFFFAOYSA-N
Hvpx_IRUZCTPAAZATQM_UHFFFAOYSA_N =  2.4E-13 * EXP( -20000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  RO5R1O2H
! formula:  C_{10}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NSOHXIGSWKLSHV-UHFFFAOYSA-N
Hvpx_NSOHXIGSWKLSHV_UHFFFAOYSA_N =  5.5E-07 * EXP( -17000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  RO5R2O2H
! formula:  C_{10}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MFXJOKCSTDMZRM-UHFFFAOYSA-N
Hvpx_MFXJOKCSTDMZRM_UHFFFAOYSA_N =  3.1E-08 * EXP( -19000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  ROO6R1OOH
! formula:  C_{10}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GBBPAXKBVMQHIG-UHFFFAOYSA-N
Hvpx_GBBPAXKBVMQHIG_UHFFFAOYSA_N =  8.0E-06 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  RO5R3O2H
! formula:  C_{10}H_{18}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: IEPFJXDIWPQIRC-UHFFFAOYSA-N
Hvpx_IEPFJXDIWPQIRC_UHFFFAOYSA_N =  7.1E-09 * EXP( -22000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  MCM:UDECOOH
! formula:  C_{11}H_{24}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PPEGYVQDERYKNI-UHFFFAOYSA-N
Hvpx_PPEGYVQDERYKNI_UHFFFAOYSA_N =  3.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_PPEGYVQDERYKNI_UHFFFAOYSA_N =  8.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_PPEGYVQDERYKNI_UHFFFAOYSA_N =  5.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DDECOOH
! formula:  C_{12}H_{26}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ONWAGJMEBPWHEG-UHFFFAOYSA-N
Hvpx_ONWAGJMEBPWHEG_UHFFFAOYSA_N =  3.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_ONWAGJMEBPWHEG_UHFFFAOYSA_N =  9.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_ONWAGJMEBPWHEG_UHFFFAOYSA_N =  6.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6H5OOH
! formula:  C_6H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JYINMLPNDRBKKZ-UHFFFAOYSA-N
Hvpx_JYINMLPNDRBKKZ_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JYINMLPNDRBKKZ_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JYINMLPNDRBKKZ_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6H5CH2OOH
! formula:  C_7H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: YVJRCWCFDJYONJ-UHFFFAOYSA-N
Hvpx_YVJRCWCFDJYONJ_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YVJRCWCFDJYONJ_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YVJRCWCFDJYONJ_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6H5CO3H
! formula:  C_7H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XCRBXWCUXJNEFX-UHFFFAOYSA-N
Hvpx_XCRBXWCUXJNEFX_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XCRBXWCUXJNEFX_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_XCRBXWCUXJNEFX_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYL1OOH
! formula:  C_7H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VCTGBWYTEXZDNM-UHFFFAOYSA-N
Hvpx_VCTGBWYTEXZDNM_UHFFFAOYSA_N =  2.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VCTGBWYTEXZDNM_UHFFFAOYSA_N =  7.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VCTGBWYTEXZDNM_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYL1OOH
! formula:  C_7H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OCSKWYCRTWOMLG-UHFFFAOYSA-N
Hvpx_OCSKWYCRTWOMLG_UHFFFAOYSA_N =  2.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OCSKWYCRTWOMLG_UHFFFAOYSA_N =  5.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OCSKWYCRTWOMLG_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYL1OOH
! formula:  C_7H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZCUUEQJCOSBJOR-UHFFFAOYSA-N
Hvpx_ZCUUEQJCOSBJOR_UHFFFAOYSA_N =  2.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZCUUEQJCOSBJOR_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZCUUEQJCOSBJOR_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6H5C2CO3H
! formula:  C_8H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BXGXGTXWGGOFSP-UHFFFAOYSA-N
Hvpx_BXGXGTXWGGOFSP_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BXGXGTXWGGOFSP_UHFFFAOYSA_N =  8.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BXGXGTXWGGOFSP_UHFFFAOYSA_N =  2.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6H5C2OOH
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VZQOBPXGQJXYGY-UHFFFAOYSA-N
Hvpx_VZQOBPXGQJXYGY_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VZQOBPXGQJXYGY_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VZQOBPXGQJXYGY_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DM123OOH
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FPXURWFXMHYDGM-UHFFFAOYSA-N
Hvpx_FPXURWFXMHYDGM_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FPXURWFXMHYDGM_UHFFFAOYSA_N =  4.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FPXURWFXMHYDGM_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DM124OOH
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: UQJVEYMRRMOLPI-UHFFFAOYSA-N
Hvpx_UQJVEYMRRMOLPI_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UQJVEYMRRMOLPI_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UQJVEYMRRMOLPI_UHFFFAOYSA_N =  1.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMPHOOH
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: AGQLZSPEKWKXRP-UHFFFAOYSA-N
Hvpx_AGQLZSPEKWKXRP_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AGQLZSPEKWKXRP_UHFFFAOYSA_N =  8.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AGQLZSPEKWKXRP_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBENZOOH
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SULLUHFYVRLICT-UHFFFAOYSA-N
Hvpx_SULLUHFYVRLICT_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SULLUHFYVRLICT_UHFFFAOYSA_N =  8.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SULLUHFYVRLICT_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXY1OOH
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: LDNGPDBEDBLXJS-UHFFFAOYSA-N
Hvpx_LDNGPDBEDBLXJS_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LDNGPDBEDBLXJS_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LDNGPDBEDBLXJS_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYLCO3H
! formula:  C_8H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: INFFZTZRGNVBOC-UHFFFAOYSA-N
Hvpx_INFFZTZRGNVBOC_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_INFFZTZRGNVBOC_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_INFFZTZRGNVBOC_UHFFFAOYSA_N =  2.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYLOOH
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: UTKFWOZXPFIBPQ-UHFFFAOYSA-N
Hvpx_UTKFWOZXPFIBPQ_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UTKFWOZXPFIBPQ_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UTKFWOZXPFIBPQ_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYLCO3H
! formula:  C_8H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DNEXRQSSNZPAJJ-UHFFFAOYSA-N
Hvpx_DNEXRQSSNZPAJJ_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DNEXRQSSNZPAJJ_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DNEXRQSSNZPAJJ_UHFFFAOYSA_N =  2.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYLOOH
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JTJQZHCBMBJJMV-UHFFFAOYSA-N
Hvpx_JTJQZHCBMBJJMV_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JTJQZHCBMBJJMV_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JTJQZHCBMBJJMV_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXY1OOH
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: QBGYVNGBYXOUAG-UHFFFAOYSA-N
Hvpx_QBGYVNGBYXOUAG_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QBGYVNGBYXOUAG_UHFFFAOYSA_N =  4.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QBGYVNGBYXOUAG_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYLCO3H
! formula:  C_8H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IFDPVSBDNAQBRQ-UHFFFAOYSA-N
Hvpx_IFDPVSBDNAQBRQ_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IFDPVSBDNAQBRQ_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IFDPVSBDNAQBRQ_UHFFFAOYSA_N =  7.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYLOOH
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VCEHMDXCOGIOJJ-UHFFFAOYSA-N
Hvpx_VCEHMDXCOGIOJJ_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VCEHMDXCOGIOJJ_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VCEHMDXCOGIOJJ_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EMPHOOH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MKWUSWBHCPKVBI-UHFFFAOYSA-N
Hvpx_MKWUSWBHCPKVBI_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MKWUSWBHCPKVBI_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MKWUSWBHCPKVBI_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETOLOOH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: DWPOLKIWKCGPAM-UHFFFAOYSA-N
Hvpx_DWPOLKIWKCGPAM_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DWPOLKIWKCGPAM_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DWPOLKIWKCGPAM_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBENZOOH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CZNJIWCDRJWKLG-UHFFFAOYSA-N
Hvpx_CZNJIWCDRJWKLG_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CZNJIWCDRJWKLG_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CZNJIWCDRJWKLG_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MET1OOH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HUAUUZDXRNWOSS-UHFFFAOYSA-N
Hvpx_HUAUUZDXRNWOSS_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HUAUUZDXRNWOSS_UHFFFAOYSA_N =  8.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HUAUUZDXRNWOSS_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OET1OOH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: KVZSMDLRNLVTLK-UHFFFAOYSA-N
Hvpx_KVZSMDLRNLVTLK_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KVZSMDLRNLVTLK_UHFFFAOYSA_N =  7.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KVZSMDLRNLVTLK_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBENZOOH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BFUPNGCSYHWOOH-UHFFFAOYSA-N
Hvpx_BFUPNGCSYHWOOH_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BFUPNGCSYHWOOH_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BFUPNGCSYHWOOH_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PET1OOH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: IKLGQZOVXYBNEV-UHFFFAOYSA-N
Hvpx_IKLGQZOVXYBNEV_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IKLGQZOVXYBNEV_UHFFFAOYSA_N =  8.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IKLGQZOVXYBNEV_UHFFFAOYSA_N =  3.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHC3OOH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JYLUDNGUBXOJPX-UHFFFAOYSA-N
Hvpx_JYLUDNGUBXOJPX_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JYLUDNGUBXOJPX_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JYLUDNGUBXOJPX_UHFFFAOYSA_N =  1.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123BCO3H
! formula:  C_9H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NQSDUJYDMWXHMR-UHFFFAOYSA-N
Hvpx_NQSDUJYDMWXHMR_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NQSDUJYDMWXHMR_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NQSDUJYDMWXHMR_UHFFFAOYSA_N =  1.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123BOOH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HSKYDUVZGAHSEO-UHFFFAOYSA-N
Hvpx_HSKYDUVZGAHSEO_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HSKYDUVZGAHSEO_UHFFFAOYSA_N =  4.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HSKYDUVZGAHSEO_UHFFFAOYSA_N =  3.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123OOH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: QIIZMGNSXSJCNA-UHFFFAOYSA-N
Hvpx_QIIZMGNSXSJCNA_UHFFFAOYSA_N =  8.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QIIZMGNSXSJCNA_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QIIZMGNSXSJCNA_UHFFFAOYSA_N =  1.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124BCO3H
! formula:  C_9H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HPLBJCPAWPQKDU-UHFFFAOYSA-N
Hvpx_HPLBJCPAWPQKDU_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HPLBJCPAWPQKDU_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HPLBJCPAWPQKDU_UHFFFAOYSA_N =  1.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124BOOH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZUEBLWOBXMLPMV-UHFFFAOYSA-N
Hvpx_ZUEBLWOBXMLPMV_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZUEBLWOBXMLPMV_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZUEBLWOBXMLPMV_UHFFFAOYSA_N =  7.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124OOH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: DSGKIBNJTLHQCN-UHFFFAOYSA-N
Hvpx_DSGKIBNJTLHQCN_UHFFFAOYSA_N =  8.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DSGKIBNJTLHQCN_UHFFFAOYSA_N =  4.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DSGKIBNJTLHQCN_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TMBCO3H
! formula:  C_9H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: APDYULOMODUXLL-UHFFFAOYSA-N
Hvpx_APDYULOMODUXLL_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_APDYULOMODUXLL_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_APDYULOMODUXLL_UHFFFAOYSA_N =  2.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TMBOOH
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GOKTXPLVCSLYGI-UHFFFAOYSA-N
Hvpx_GOKTXPLVCSLYGI_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GOKTXPLVCSLYGI_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GOKTXPLVCSLYGI_UHFFFAOYSA_N =  4.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DM35EBOOH
! formula:  C_{10}H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: NSJZLSFVHPJVDL-UHFFFAOYSA-N
Hvpx_NSJZLSFVHPJVDL_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NSJZLSFVHPJVDL_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NSJZLSFVHPJVDL_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EMPHCO3H
! formula:  C_{10}H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GYXFVTDASBFNQD-UHFFFAOYSA-N
Hvpx_GYXFVTDASBFNQD_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GYXFVTDASBFNQD_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GYXFVTDASBFNQD_UHFFFAOYSA_N =  2.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DE35TOOH
! formula:  C_{11}H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HPTJZRKCFIXEOP-UHFFFAOYSA-N
Hvpx_HPTJZRKCFIXEOP_UHFFFAOYSA_N =  7.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HPTJZRKCFIXEOP_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HPTJZRKCFIXEOP_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOCH2CO3H
! formula:  C_2H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IUEZWLCUORJBDZ-UHFFFAOYSA-N
Hvpx_IUEZWLCUORJBDZ_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IUEZWLCUORJBDZ_UHFFFAOYSA_N =  2.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IUEZWLCUORJBDZ_UHFFFAOYSA_N =  6.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HYETHO2H
! formula:  C_2H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FKPAKAOEHCFKLE-UHFFFAOYSA-N
Hvpx_FKPAKAOEHCFKLE_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FKPAKAOEHCFKLE_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FKPAKAOEHCFKLE_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C2OHOCOOH
! formula:  C_3H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GTTVGDRVLZEEEW-UHFFFAOYSA-N
Hvpx_GTTVGDRVLZEEEW_UHFFFAOYSA_N =  3.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GTTVGDRVLZEEEW_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GTTVGDRVLZEEEW_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3DIOLOOH
! formula:  C_3H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XSLBWJPPWWFTQY-UHFFFAOYSA-N
Hvpx_XSLBWJPPWWFTQY_UHFFFAOYSA_N =  1.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XSLBWJPPWWFTQY_UHFFFAOYSA_N =  5.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XSLBWJPPWWFTQY_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1C3OOH
! formula:  C_3H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LTKFKDLZMYUGKU-UHFFFAOYSA-N
Hvpx_LTKFKDLZMYUGKU_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LTKFKDLZMYUGKU_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LTKFKDLZMYUGKU_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOC2H4CO3H
! formula:  C_3H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HPIZQAHZLDXVRM-UHFFFAOYSA-N
Hvpx_HPIZQAHZLDXVRM_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HPIZQAHZLDXVRM_UHFFFAOYSA_N =  6.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HPIZQAHZLDXVRM_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HYPROPO2H
! formula:  C_3H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CGHALRGHFXEMJB-UHFFFAOYSA-N
Hvpx_CGHALRGHFXEMJB_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CGHALRGHFXEMJB_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CGHALRGHFXEMJB_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPROPOLO2H
! formula:  C_3H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LGTUXDWECPSIQO-UHFFFAOYSA-N
Hvpx_LGTUXDWECPSIQO_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LGTUXDWECPSIQO_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LGTUXDWECPSIQO_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPROPOLPER
! formula:  C_3H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LLWVBKQQPPRNEX-UHFFFAOYSA-N
Hvpx_LLWVBKQQPPRNEX_UHFFFAOYSA_N =  3.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LLWVBKQQPPRNEX_UHFFFAOYSA_N =  3.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LLWVBKQQPPRNEX_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUT2OLOOH
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VRQPOZSYDWHVQK-UHFFFAOYSA-N
Hvpx_VRQPOZSYDWHVQK_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VRQPOZSYDWHVQK_UHFFFAOYSA_N =  3.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VRQPOZSYDWHVQK_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUTDAOOH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ATNKTSDVMCPWQK-UHFFFAOYSA-N
Hvpx_ATNKTSDVMCPWQK_UHFFFAOYSA_N =  8.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ATNKTSDVMCPWQK_UHFFFAOYSA_N =  2.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ATNKTSDVMCPWQK_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUTDBOOH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VQGAWAMXUXLZCZ-UHFFFAOYSA-N
Hvpx_VQGAWAMXUXLZCZ_UHFFFAOYSA_N =  9.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VQGAWAMXUXLZCZ_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VQGAWAMXUXLZCZ_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUTDCOOH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: TVUDLONEIXNOQY-UHFFFAOYSA-N
Hvpx_TVUDLONEIXNOQY_UHFFFAOYSA_N =  9.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_TVUDLONEIXNOQY_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_TVUDLONEIXNOQY_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HC3CCO3H
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZSVMRAYUVFDTKB-UHFFFAOYSA-N
Hvpx_ZSVMRAYUVFDTKB_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSVMRAYUVFDTKB_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSVMRAYUVFDTKB_UHFFFAOYSA_N =  3.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HC3CO3H
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AVWVUWGQXKTDKD-UHFFFAOYSA-N
Hvpx_AVWVUWGQXKTDKD_UHFFFAOYSA_N =  5.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AVWVUWGQXKTDKD_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AVWVUWGQXKTDKD_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMACO3H
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IZGOVIKWSGSSGB-UHFFFAOYSA-N
Hvpx_IZGOVIKWSGSSGB_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IZGOVIKWSGSSGB_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IZGOVIKWSGSSGB_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO13C3CO3H
! formula:  C_4H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SAVJJQFYFPVKTL-UHFFFAOYSA-N
Hvpx_SAVJJQFYFPVKTL_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SAVJJQFYFPVKTL_UHFFFAOYSA_N =  5.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SAVJJQFYFPVKTL_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO13C4OOH
! formula:  C_4H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WTIWPVYZJGYFOG-UHFFFAOYSA-N
Hvpx_WTIWPVYZJGYFOG_UHFFFAOYSA_N =  9.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WTIWPVYZJGYFOG_UHFFFAOYSA_N =  7.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WTIWPVYZJGYFOG_UHFFFAOYSA_N =  4.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1C4OOH
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RCPPCOTVBKCJGX-UHFFFAOYSA-N
Hvpx_RCPPCOTVBKCJGX_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RCPPCOTVBKCJGX_UHFFFAOYSA_N =  7.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RCPPCOTVBKCJGX_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C3CO3H
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WSXMRWGMMYXEOT-UHFFFAOYSA-N
Hvpx_WSXMRWGMMYXEOT_UHFFFAOYSA_N =  2.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WSXMRWGMMYXEOT_UHFFFAOYSA_N =  5.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WSXMRWGMMYXEOT_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C4OOH
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VJLLYXNZUMWUFH-UHFFFAOYSA-N
Hvpx_VJLLYXNZUMWUFH_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VJLLYXNZUMWUFH_UHFFFAOYSA_N =  6.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VJLLYXNZUMWUFH_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C3CO3H
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BPXTXQLLUZFFNC-UHFFFAOYSA-N
Hvpx_BPXTXQLLUZFFNC_UHFFFAOYSA_N =  4.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BPXTXQLLUZFFNC_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BPXTXQLLUZFFNC_UHFFFAOYSA_N =  4.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C4OOH
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RMYCTZOJULYKEL-UHFFFAOYSA-N
Hvpx_RMYCTZOJULYKEL_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RMYCTZOJULYKEL_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RMYCTZOJULYKEL_UHFFFAOYSA_N =  3.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOC3H6CO3H
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CAGKPIQTEWLESW-UHFFFAOYSA-N
Hvpx_CAGKPIQTEWLESW_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CAGKPIQTEWLESW_UHFFFAOYSA_N =  6.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CAGKPIQTEWLESW_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOIPRCO3H
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XMJMNOOOSJCSST-UHFFFAOYSA-N
Hvpx_XMJMNOOOSJCSST_UHFFFAOYSA_N =  2.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XMJMNOOOSJCSST_UHFFFAOYSA_N =  5.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XMJMNOOOSJCSST_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IBUTOLBO2H
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NCECNUIKMRTTTQ-UHFFFAOYSA-N
Hvpx_NCECNUIKMRTTTQ_UHFFFAOYSA_N =  3.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NCECNUIKMRTTTQ_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NCECNUIKMRTTTQ_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IBUTOLCO2H
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IYIYQILWOLBTBM-UHFFFAOYSA-N
Hvpx_IYIYQILWOLBTBM_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IYIYQILWOLBTBM_UHFFFAOYSA_N =  3.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IYIYQILWOLBTBM_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRHOCO3H
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VAHIZEUROSIQMC-UHFFFAOYSA-N
Hvpx_VAHIZEUROSIQMC_UHFFFAOYSA_N =  6.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VAHIZEUROSIQMC_UHFFFAOYSA_N =  1.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VAHIZEUROSIQMC_UHFFFAOYSA_N =  7.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUTOLAOOH
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KPUCJKMFRKKADT-UHFFFAOYSA-N
Hvpx_KPUCJKMFRKKADT_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KPUCJKMFRKKADT_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KPUCJKMFRKKADT_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUTOLBOOH
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UKXKMFPUVLQYHV-UHFFFAOYSA-N
Hvpx_UKXKMFPUVLQYHV_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UKXKMFPUVLQYHV_UHFFFAOYSA_N =  3.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UKXKMFPUVLQYHV_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TBUTOLOOH
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OLMJQPVPWWPTBW-UHFFFAOYSA-N
Hvpx_OLMJQPVPWWPTBW_UHFFFAOYSA_N =  3.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OLMJQPVPWWPTBW_UHFFFAOYSA_N =  6.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OLMJQPVPWWPTBW_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3M3OHCO3H
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OPXDDGDNASPZKO-UHFFFAOYSA-N
Hvpx_OPXDDGDNASPZKO_UHFFFAOYSA_N =  5.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OPXDDGDNASPZKO_UHFFFAOYSA_N =  7.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OPXDDGDNASPZKO_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C42CO3H
! formula:  C_5H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZMIMRJOKAFWNST-UHFFFAOYSA-N
Hvpx_ZMIMRJOKAFWNST_UHFFFAOYSA_N =  1.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZMIMRJOKAFWNST_UHFFFAOYSA_N =  4.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZMIMRJOKAFWNST_UHFFFAOYSA_N =  5.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C46CO3H
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VWNMYJVYTYSNQP-UHFFFAOYSA-N
Hvpx_VWNMYJVYTYSNQP_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VWNMYJVYTYSNQP_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VWNMYJVYTYSNQP_UHFFFAOYSA_N =  4.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4OH2CO3H
! formula:  C_5H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WQUIEUVQOLAPHC-UHFFFAOYSA-N
Hvpx_WQUIEUVQOLAPHC_UHFFFAOYSA_N =  6.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WQUIEUVQOLAPHC_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WQUIEUVQOLAPHC_UHFFFAOYSA_N =  5.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4OHCO3H
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OQVSVCDIVLTQNI-UHFFFAOYSA-N
Hvpx_OQVSVCDIVLTQNI_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OQVSVCDIVLTQNI_UHFFFAOYSA_N =  9.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OQVSVCDIVLTQNI_UHFFFAOYSA_N =  8.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C51OH2OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YEVLRKKUVOPQLT-UHFFFAOYSA-N
Hvpx_YEVLRKKUVOPQLT_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YEVLRKKUVOPQLT_UHFFFAOYSA_N =  3.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YEVLRKKUVOPQLT_UHFFFAOYSA_N =  3.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C524OOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CMYVSBWTXHBCDK-UHFFFAOYSA-N
Hvpx_CMYVSBWTXHBCDK_UHFFFAOYSA_N =  5.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CMYVSBWTXHBCDK_UHFFFAOYSA_N =  4.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CMYVSBWTXHBCDK_UHFFFAOYSA_N =  6.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C52OH1OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UCQFCLCUMHUGLJ-UHFFFAOYSA-N
Hvpx_UCQFCLCUMHUGLJ_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UCQFCLCUMHUGLJ_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UCQFCLCUMHUGLJ_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C52OH3OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HJJMDLGJAJYCSL-UHFFFAOYSA-N
Hvpx_HJJMDLGJAJYCSL_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HJJMDLGJAJYCSL_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HJJMDLGJAJYCSL_UHFFFAOYSA_N =  4.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C52OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZPHQYWRKWRKGNS-UHFFFAOYSA-N
Hvpx_ZPHQYWRKWRKGNS_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZPHQYWRKWRKGNS_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZPHQYWRKWRKGNS_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C53OH2OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AJVYEIIRONFKES-UHFFFAOYSA-N
Hvpx_AJVYEIIRONFKES_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AJVYEIIRONFKES_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AJVYEIIRONFKES_UHFFFAOYSA_N =  6.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C54OOH
! formula:  C_5H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YUSGXJKDHCBGQE-UHFFFAOYSA-N
Hvpx_YUSGXJKDHCBGQE_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YUSGXJKDHCBGQE_UHFFFAOYSA_N =  9.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YUSGXJKDHCBGQE_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C56OOH
! formula:  C_5H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZJCLGCDNIIJGCW-UHFFFAOYSA-N
Hvpx_ZJCLGCDNIIJGCW_UHFFFAOYSA_N =  9.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZJCLGCDNIIJGCW_UHFFFAOYSA_N =  7.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZJCLGCDNIIJGCW_UHFFFAOYSA_N =  7.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H13C43CO3H
! formula:  C_5H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AHAADFOLDXPWKJ-UHFFFAOYSA-N
Hvpx_AHAADFOLDXPWKJ_UHFFFAOYSA_N =  2.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_AHAADFOLDXPWKJ_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AHAADFOLDXPWKJ_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M2C3CO3H
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WNBRWGLXVYJADJ-UHFFFAOYSA-N
Hvpx_WNBRWGLXVYJADJ_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WNBRWGLXVYJADJ_UHFFFAOYSA_N =  9.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WNBRWGLXVYJADJ_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M3C4OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZUPZYIDTDVLJQO-UHFFFAOYSA-N
Hvpx_ZUPZYIDTDVLJQO_UHFFFAOYSA_N =  3.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZUPZYIDTDVLJQO_UHFFFAOYSA_N =  6.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZUPZYIDTDVLJQO_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HC4ACO3H
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RKJIARBOZVRICG-UHFFFAOYSA-N
Hvpx_RKJIARBOZVRICG_UHFFFAOYSA_N =  8.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RKJIARBOZVRICG_UHFFFAOYSA_N =  2.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RKJIARBOZVRICG_UHFFFAOYSA_N =  6.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HC4CCO3H
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BKBSBVFBLVOVGK-UHFFFAOYSA-N
Hvpx_BKBSBVFBLVOVGK_UHFFFAOYSA_N =  8.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BKBSBVFBLVOVGK_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BKBSBVFBLVOVGK_UHFFFAOYSA_N =  7.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM22C3OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YTVLHPDOOITGNI-UHFFFAOYSA-N
Hvpx_YTVLHPDOOITGNI_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YTVLHPDOOITGNI_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YTVLHPDOOITGNI_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM22CO3H
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JLDURWTXWMLEQQ-UHFFFAOYSA-N
Hvpx_JLDURWTXWMLEQQ_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JLDURWTXWMLEQQ_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JLDURWTXWMLEQQ_UHFFFAOYSA_N =  5.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM2C43OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HSLVQIVCJSWUOZ-UHFFFAOYSA-N
Hvpx_HSLVQIVCJSWUOZ_UHFFFAOYSA_N =  3.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HSLVQIVCJSWUOZ_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HSLVQIVCJSWUOZ_UHFFFAOYSA_N =  6.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM33C3OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WHBWUNCJQHRHKD-UHFFFAOYSA-N
Hvpx_WHBWUNCJQHRHKD_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WHBWUNCJQHRHKD_UHFFFAOYSA_N =  7.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WHBWUNCJQHRHKD_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO13C5OOH
! formula:  C_5H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MPQCFHWMMIVYQV-UHFFFAOYSA-N
Hvpx_MPQCFHWMMIVYQV_UHFFFAOYSA_N =  9.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MPQCFHWMMIVYQV_UHFFFAOYSA_N =  7.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MPQCFHWMMIVYQV_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1C5OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NOIFGIIKGVCIDM-UHFFFAOYSA-N
Hvpx_NOIFGIIKGVCIDM_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NOIFGIIKGVCIDM_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NOIFGIIKGVCIDM_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO24C4CO3H
! formula:  C_5H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BPXJXZFDALRNCD-UHFFFAOYSA-N
Hvpx_BPXJXZFDALRNCD_UHFFFAOYSA_N =  1.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BPXJXZFDALRNCD_UHFFFAOYSA_N =  7.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BPXJXZFDALRNCD_UHFFFAOYSA_N =  3.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO24C5OOH
! formula:  C_5H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LXCUFKDAZLTFBK-UHFFFAOYSA-N
Hvpx_LXCUFKDAZLTFBK_UHFFFAOYSA_N =  9.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LXCUFKDAZLTFBK_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LXCUFKDAZLTFBK_UHFFFAOYSA_N =  7.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C43CO3H
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JJSNUFSNLCXQDD-UHFFFAOYSA-N
Hvpx_JJSNUFSNLCXQDD_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JJSNUFSNLCXQDD_UHFFFAOYSA_N =  7.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JJSNUFSNLCXQDD_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C4CO3H
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WEYKGJBTAJHRDZ-UHFFFAOYSA-N
Hvpx_WEYKGJBTAJHRDZ_UHFFFAOYSA_N =  2.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WEYKGJBTAJHRDZ_UHFFFAOYSA_N =  8.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WEYKGJBTAJHRDZ_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C54OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NQEGDBNDYHCERX-UHFFFAOYSA-N
Hvpx_NQEGDBNDYHCERX_UHFFFAOYSA_N =  3.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NQEGDBNDYHCERX_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NQEGDBNDYHCERX_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C5OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GSRFGQMXWRCOMF-UHFFFAOYSA-N
Hvpx_GSRFGQMXWRCOMF_UHFFFAOYSA_N =  7.7E-05 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_GSRFGQMXWRCOMF_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GSRFGQMXWRCOMF_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GSRFGQMXWRCOMF_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2M2C4OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BPHNXEOBBWBBGO-UHFFFAOYSA-N
Hvpx_BPHNXEOBBWBBGO_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BPHNXEOBBWBBGO_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BPHNXEOBBWBBGO_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C4CO3H
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OFXAQZFPCOWEPU-UHFFFAOYSA-N
Hvpx_OFXAQZFPCOWEPU_UHFFFAOYSA_N =  2.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OFXAQZFPCOWEPU_UHFFFAOYSA_N =  9.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OFXAQZFPCOWEPU_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C5OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AMTQAQGRUCFWLQ-UHFFFAOYSA-N
Hvpx_AMTQAQGRUCFWLQ_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AMTQAQGRUCFWLQ_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AMTQAQGRUCFWLQ_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOBUT2CO3H
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HHXRGEGWJUDFIW-UHFFFAOYSA-N
Hvpx_HHXRGEGWJUDFIW_UHFFFAOYSA_N =  2.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HHXRGEGWJUDFIW_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HHXRGEGWJUDFIW_UHFFFAOYSA_N =  2.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOIBUTCO3H
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JVGUWDNKCJEDLO-UHFFFAOYSA-N
Hvpx_JVGUWDNKCJEDLO_UHFFFAOYSA_N =  2.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JVGUWDNKCJEDLO_UHFFFAOYSA_N =  9.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JVGUWDNKCJEDLO_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ISOPAOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PEJOQVDRQFVMLE-UHFFFAOYSA-N
Hvpx_PEJOQVDRQFVMLE_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PEJOQVDRQFVMLE_UHFFFAOYSA_N =  3.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PEJOQVDRQFVMLE_UHFFFAOYSA_N =  6.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ISOPBOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QTGGFXPTAQEODO-UHFFFAOYSA-N
Hvpx_QTGGFXPTAQEODO_UHFFFAOYSA_N =  4.7E-04 * EXP(  -9900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3578
Hvpx_QTGGFXPTAQEODO_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3578
Hvpx_QTGGFXPTAQEODO_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3578
Hvpx_QTGGFXPTAQEODO_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QTGGFXPTAQEODO_UHFFFAOYSA_N =  3.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QTGGFXPTAQEODO_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ISOPCOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FCLDANRCFPUKED-UHFFFAOYSA-N
Hvpx_FCLDANRCFPUKED_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FCLDANRCFPUKED_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FCLDANRCFPUKED_UHFFFAOYSA_N =  5.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ISOPDOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HYHMYONEYJINON-UHFFFAOYSA-N
Hvpx_HYHMYONEYJINON_UHFFFAOYSA_N =  4.6E-03 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3578
Hvpx_HYHMYONEYJINON_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3578
Hvpx_HYHMYONEYJINON_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3578
Hvpx_HYHMYONEYJINON_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HYHMYONEYJINON_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HYHMYONEYJINON_UHFFFAOYSA_N =  6.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2BU2OLOOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YWZMEYHQKKHRJF-UHFFFAOYSA-N
Hvpx_YWZMEYHQKKHRJF_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YWZMEYHQKKHRJF_UHFFFAOYSA_N =  4.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YWZMEYHQKKHRJF_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2BUOL2OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KLOVYRXVQOACLZ-UHFFFAOYSA-N
Hvpx_KLOVYRXVQOACLZ_UHFFFAOYSA_N =  4.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KLOVYRXVQOACLZ_UHFFFAOYSA_N =  4.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KLOVYRXVQOACLZ_UHFFFAOYSA_N =  8.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3BU2OLOOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AFEDOYRLNKBWPZ-UHFFFAOYSA-N
Hvpx_AFEDOYRLNKBWPZ_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AFEDOYRLNKBWPZ_UHFFFAOYSA_N =  4.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AFEDOYRLNKBWPZ_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MBOAOOH
! formula:  C_5H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VJEOLZUQMDEVMO-UHFFFAOYSA-N
Hvpx_VJEOLZUQMDEVMO_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VJEOLZUQMDEVMO_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VJEOLZUQMDEVMO_UHFFFAOYSA_N =  8.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MBOBOOH
! formula:  C_5H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GXJWPCHTRDIVHR-UHFFFAOYSA-N
Hvpx_GXJWPCHTRDIVHR_UHFFFAOYSA_N =  3.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GXJWPCHTRDIVHR_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GXJWPCHTRDIVHR_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ME2BUOLOOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SAXHQAUHEBEDAO-UHFFFAOYSA-N
Hvpx_SAXHQAUHEBEDAO_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SAXHQAUHEBEDAO_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SAXHQAUHEBEDAO_UHFFFAOYSA_N =  5.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ME3BUOLOOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MUYQYONVNPPJGI-UHFFFAOYSA-N
Hvpx_MUYQYONVNPPJGI_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MUYQYONVNPPJGI_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MUYQYONVNPPJGI_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PROL11MOOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UVDGWSPEOVCOFS-UHFFFAOYSA-N
Hvpx_UVDGWSPEOVCOFS_UHFFFAOYSA_N =  4.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UVDGWSPEOVCOFS_UHFFFAOYSA_N =  9.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UVDGWSPEOVCOFS_UHFFFAOYSA_N =  3.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PROL1MCO3H
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KTQROZYFUGXCGA-UHFFFAOYSA-N
Hvpx_KTQROZYFUGXCGA_UHFFFAOYSA_N =  8.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KTQROZYFUGXCGA_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KTQROZYFUGXCGA_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZBIPER2OH
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BVNIDXNYDXJAFS-UHFFFAOYSA-N
Hvpx_BVNIDXNYDXJAFS_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BVNIDXNYDXJAFS_UHFFFAOYSA_N =  2.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BVNIDXNYDXJAFS_UHFFFAOYSA_N =  6.4E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZBIPEROOH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MXPMOVDECINDPN-UHFFFAOYSA-N
Hvpx_MXPMOVDECINDPN_UHFFFAOYSA_N =  7.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MXPMOVDECINDPN_UHFFFAOYSA_N =  5.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MXPMOVDECINDPN_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4ME2OHOOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HOGFDWYRBLIMGM-UHFFFAOYSA-N
Hvpx_HOGFDWYRBLIMGM_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HOGFDWYRBLIMGM_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HOGFDWYRBLIMGM_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C518CO3H
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HLKDNTMYLJJNIF-UHFFFAOYSA-N
Hvpx_HLKDNTMYLJJNIF_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HLKDNTMYLJJNIF_UHFFFAOYSA_N =  9.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HLKDNTMYLJJNIF_UHFFFAOYSA_N =  1.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C622OOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GWTGWFHICNOSTQ-UHFFFAOYSA-N
Hvpx_GWTGWFHICNOSTQ_UHFFFAOYSA_N =  4.3E-05 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_GWTGWFHICNOSTQ_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GWTGWFHICNOSTQ_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GWTGWFHICNOSTQ_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C624OOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DDEGWHJCSBWJSM-UHFFFAOYSA-N
Hvpx_DDEGWHJCSBWJSM_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DDEGWHJCSBWJSM_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DDEGWHJCSBWJSM_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C64OH5OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZEOCDIHFKNFYIT-UHFFFAOYSA-N
Hvpx_ZEOCDIHFKNFYIT_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZEOCDIHFKNFYIT_UHFFFAOYSA_N =  7.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZEOCDIHFKNFYIT_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C65OH4OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PVVIDEIOKNUTFV-UHFFFAOYSA-N
Hvpx_PVVIDEIOKNUTFV_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PVVIDEIOKNUTFV_UHFFFAOYSA_N =  3.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PVVIDEIOKNUTFV_UHFFFAOYSA_N =  5.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6OH5OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HRDCBAWVKIWIOZ-UHFFFAOYSA-N
Hvpx_HRDCBAWVKIWIOZ_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HRDCBAWVKIWIOZ_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HRDCBAWVKIWIOZ_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CYHXOLAOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UBIBQRDHLFTCKX-UHFFFAOYSA-N
Hvpx_UBIBQRDHLFTCKX_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UBIBQRDHLFTCKX_UHFFFAOYSA_N =  6.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UBIBQRDHLFTCKX_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H13M3C5OOH
! formula:  C_6H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KEIPMCKLLYLETP-UHFFFAOYSA-N
Hvpx_KEIPMCKLLYLETP_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KEIPMCKLLYLETP_UHFFFAOYSA_N =  7.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KEIPMCKLLYLETP_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H1MC5OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NRUVZELSEXXOEO-UHFFFAOYSA-N
Hvpx_NRUVZELSEXXOEO_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NRUVZELSEXXOEO_UHFFFAOYSA_N =  9.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NRUVZELSEXXOEO_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M2C4CO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NRXKHRBCIJLLIW-UHFFFAOYSA-N
Hvpx_NRXKHRBCIJLLIW_UHFFFAOYSA_N =  4.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NRXKHRBCIJLLIW_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NRXKHRBCIJLLIW_UHFFFAOYSA_N =  4.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M3C4CO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BSSSRXSGDLZQTD-UHFFFAOYSA-N
Hvpx_BSSSRXSGDLZQTD_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BSSSRXSGDLZQTD_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BSSSRXSGDLZQTD_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2MC5OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VFABJBQUVDJTMS-UHFFFAOYSA-N
Hvpx_VFABJBQUVDJTMS_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VFABJBQUVDJTMS_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VFABJBQUVDJTMS_UHFFFAOYSA_N =  4.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3M2C4CO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BXUACBWFNFVFRM-UHFFFAOYSA-N
Hvpx_BXUACBWFNFVFRM_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BXUACBWFNFVFRM_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BXUACBWFNFVFRM_UHFFFAOYSA_N =  6.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3M3C4CO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QREFYDOYYWEEBY-UHFFFAOYSA-N
Hvpx_QREFYDOYYWEEBY_UHFFFAOYSA_N =  4.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QREFYDOYYWEEBY_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QREFYDOYYWEEBY_UHFFFAOYSA_N =  9.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3M3C5OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SFWIETIRFCEPBV-UHFFFAOYSA-N
Hvpx_SFWIETIRFCEPBV_UHFFFAOYSA_N =  6.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SFWIETIRFCEPBV_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SFWIETIRFCEPBV_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM22C3CO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CFTUKLJUHGJIMT-UHFFFAOYSA-N
Hvpx_CFTUKLJUHGJIMT_UHFFFAOYSA_N =  4.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CFTUKLJUHGJIMT_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CFTUKLJUHGJIMT_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM22C4OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RBKQZGUZSABUAQ-UHFFFAOYSA-N
Hvpx_RBKQZGUZSABUAQ_UHFFFAOYSA_N =  6.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RBKQZGUZSABUAQ_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RBKQZGUZSABUAQ_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM23C4OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OEDZXCCMDSIVQE-UHFFFAOYSA-N
Hvpx_OEDZXCCMDSIVQE_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OEDZXCCMDSIVQE_UHFFFAOYSA_N =  7.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OEDZXCCMDSIVQE_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM2C43CO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AAGQWOGOWVBCOC-UHFFFAOYSA-N
Hvpx_AAGQWOGOWVBCOC_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AAGQWOGOWVBCOC_UHFFFAOYSA_N =  9.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AAGQWOGOWVBCOC_UHFFFAOYSA_N =  5.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM33C3CO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CJLFHOYFCBYSAF-UHFFFAOYSA-N
Hvpx_CJLFHOYFCBYSAF_UHFFFAOYSA_N =  4.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CJLFHOYFCBYSAF_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CJLFHOYFCBYSAF_UHFFFAOYSA_N =  5.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM33C4OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IRDKGYBPQHNNSI-UHFFFAOYSA-N
Hvpx_IRDKGYBPQHNNSI_UHFFFAOYSA_N =  6.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IRDKGYBPQHNNSI_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IRDKGYBPQHNNSI_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1C6OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AODLLEVTDATZKZ-UHFFFAOYSA-N
Hvpx_AODLLEVTDATZKZ_UHFFFAOYSA_N =  4.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AODLLEVTDATZKZ_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AODLLEVTDATZKZ_UHFFFAOYSA_N =  3.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1MC5OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XFJAYUAZOYAZNW-UHFFFAOYSA-N
Hvpx_XFJAYUAZOYAZNW_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XFJAYUAZOYAZNW_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XFJAYUAZOYAZNW_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C54CO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HFXNQHIGYFOTHL-UHFFFAOYSA-N
Hvpx_HFXNQHIGYFOTHL_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HFXNQHIGYFOTHL_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HFXNQHIGYFOTHL_UHFFFAOYSA_N =  3.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C6OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BVOYWPYSMMRYPX-UHFFFAOYSA-N
Hvpx_BVOYWPYSMMRYPX_UHFFFAOYSA_N =  1.0E-04 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_BVOYWPYSMMRYPX_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BVOYWPYSMMRYPX_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BVOYWPYSMMRYPX_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2M2C5OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XDJWSJNLVSIJHD-UHFFFAOYSA-N
Hvpx_XDJWSJNLVSIJHD_UHFFFAOYSA_N =  6.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XDJWSJNLVSIJHD_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XDJWSJNLVSIJHD_UHFFFAOYSA_N =  9.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2MC5OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AGNBGPUCVJMPGZ-UHFFFAOYSA-N
Hvpx_AGNBGPUCVJMPGZ_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AGNBGPUCVJMPGZ_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AGNBGPUCVJMPGZ_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C5CO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NIDIDJCFEJYKBD-UHFFFAOYSA-N
Hvpx_NIDIDJCFEJYKBD_UHFFFAOYSA_N =  3.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NIDIDJCFEJYKBD_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NIDIDJCFEJYKBD_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C6OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WSWZWPBQPMRENX-UHFFFAOYSA-N
Hvpx_WSWZWPBQPMRENX_UHFFFAOYSA_N =  4.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WSWZWPBQPMRENX_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WSWZWPBQPMRENX_UHFFFAOYSA_N =  6.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO4C5CO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YRMQNGAQYQCFSB-UHFFFAOYSA-N
Hvpx_YRMQNGAQYQCFSB_UHFFFAOYSA_N =  3.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YRMQNGAQYQCFSB_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YRMQNGAQYQCFSB_UHFFFAOYSA_N =  4.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO5C5CO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZOLITBGWKBFVQG-UHFFFAOYSA-N
Hvpx_ZOLITBGWKBFVQG_UHFFFAOYSA_N =  6.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZOLITBGWKBFVQG_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZOLITBGWKBFVQG_UHFFFAOYSA_N =  9.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO5C6OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VKWHJFIJUJODAG-UHFFFAOYSA-N
Hvpx_VKWHJFIJUJODAG_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VKWHJFIJUJODAG_UHFFFAOYSA_N =  7.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VKWHJFIJUJODAG_UHFFFAOYSA_N =  4.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHENOH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JRROYJLQPIXCRD-UHFFFAOYSA-N
Hvpx_JRROYJLQPIXCRD_UHFFFAOYSA_N =  9.9E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_JRROYJLQPIXCRD_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JRROYJLQPIXCRD_UHFFFAOYSA_N =  4.5E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHENOOH
! formula:  C_6H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: WQYYYMQUZFKHHO-UHFFFAOYSA-N
Hvpx_WQYYYMQUZFKHHO_UHFFFAOYSA_N =  3.9E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_WQYYYMQUZFKHHO_UHFFFAOYSA_N =  2.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WQYYYMQUZFKHHO_UHFFFAOYSA_N =  3.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C622CO3H
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JSEAPEOJJJOJEL-UHFFFAOYSA-N
Hvpx_JSEAPEOJJJOJEL_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JSEAPEOJJJOJEL_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JSEAPEOJJJOJEL_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C624CO3H
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VELNAHZLHYPPOS-UHFFFAOYSA-N
Hvpx_VELNAHZLHYPPOS_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VELNAHZLHYPPOS_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VELNAHZLHYPPOS_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C720OOH
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LPMHECUYQWFTDP-UHFFFAOYSA-N
Hvpx_LPMHECUYQWFTDP_UHFFFAOYSA_N =  4.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LPMHECUYQWFTDP_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LPMHECUYQWFTDP_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CRESOH
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UMHUAUCNJCQCRC-UHFFFAOYSA-N
Hvpx_UMHUAUCNJCQCRC_UHFFFAOYSA_N =  1.8E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_UMHUAUCNJCQCRC_UHFFFAOYSA_N =  3.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UMHUAUCNJCQCRC_UHFFFAOYSA_N =  3.5E-10                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CRESOOH
! formula:  C_7H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: POYQJFWARUGMBT-UHFFFAOYSA-N
Hvpx_POYQJFWARUGMBT_UHFFFAOYSA_N =  7.0E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_POYQJFWARUGMBT_UHFFFAOYSA_N =  7.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_POYQJFWARUGMBT_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M2C65OOH
! formula:  C_7H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MDRLNEUVCFZYIZ-UHFFFAOYSA-N
Hvpx_MDRLNEUVCFZYIZ_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MDRLNEUVCFZYIZ_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MDRLNEUVCFZYIZ_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M4C65OOH
! formula:  C_7H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HGFYTCXFDJYCQF-UHFFFAOYSA-N
Hvpx_HGFYTCXFDJYCQF_UHFFFAOYSA_N =  4.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HGFYTCXFDJYCQF_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HGFYTCXFDJYCQF_UHFFFAOYSA_N =  4.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M5C65OOH
! formula:  C_7H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NIKXNAUPHRWTEG-UHFFFAOYSA-N
Hvpx_NIKXNAUPHRWTEG_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NIKXNAUPHRWTEG_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NIKXNAUPHRWTEG_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3M3C5CO3H
! formula:  C_7H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DTTYYTHTMWEWDN-UHFFFAOYSA-N
Hvpx_DTTYYTHTMWEWDN_UHFFFAOYSA_N =  5.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DTTYYTHTMWEWDN_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DTTYYTHTMWEWDN_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3M3C6OOH
! formula:  C_7H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IWLJNMJTDMGLQI-UHFFFAOYSA-N
Hvpx_IWLJNMJTDMGLQI_UHFFFAOYSA_N =  8.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IWLJNMJTDMGLQI_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IWLJNMJTDMGLQI_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C76OOH
! formula:  C_7H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YDKPOQVDDHNRNK-UHFFFAOYSA-N
Hvpx_YDKPOQVDDHNRNK_UHFFFAOYSA_N =  5.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YDKPOQVDDHNRNK_UHFFFAOYSA_N =  2.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YDKPOQVDDHNRNK_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO5C6CO3H
! formula:  C_7H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KSOZMYOJLUVTBJ-UHFFFAOYSA-N
Hvpx_KSOZMYOJLUVTBJ_UHFFFAOYSA_N =  3.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KSOZMYOJLUVTBJ_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KSOZMYOJLUVTBJ_UHFFFAOYSA_N =  5.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO6C7OOH
! formula:  C_7H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YGTQIECBHSKCOV-UHFFFAOYSA-N
Hvpx_YGTQIECBHSKCOV_UHFFFAOYSA_N =  4.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YGTQIECBHSKCOV_UHFFFAOYSA_N =  9.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YGTQIECBHSKCOV_UHFFFAOYSA_N =  5.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLBIPER2OH
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CXEVRKZODGVABW-UHFFFAOYSA-N
Hvpx_CXEVRKZODGVABW_UHFFFAOYSA_N =  3.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CXEVRKZODGVABW_UHFFFAOYSA_N =  5.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CXEVRKZODGVABW_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLBIPEROOH
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JAKOWCUSWIMTAF-UHFFFAOYSA-N
Hvpx_JAKOWCUSWIMTAF_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JAKOWCUSWIMTAF_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JAKOWCUSWIMTAF_UHFFFAOYSA_N =  5.6E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBENZOLOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BUWSXDLGJSAPEF-UHFFFAOYSA-N
Hvpx_BUWSXDLGJSAPEF_UHFFFAOYSA_N =  2.2E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_BUWSXDLGJSAPEF_UHFFFAOYSA_N =  5.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_BUWSXDLGJSAPEF_UHFFFAOYSA_N =  9.1E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBENZOLOOH
! formula:  C_8H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: RHHRSXIXEXUGSZ-UHFFFAOYSA-N
Hvpx_RHHRSXIXEXUGSZ_UHFFFAOYSA_N =  8.6E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_RHHRSXIXEXUGSZ_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RHHRSXIXEXUGSZ_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBZBPER2OH
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AUMASFBINMOOAH-UHFFFAOYSA-N
Hvpx_AUMASFBINMOOAH_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_AUMASFBINMOOAH_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AUMASFBINMOOAH_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBZBPEROOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SCDRKAWXSVOIOT-UHFFFAOYSA-N
Hvpx_SCDRKAWXSVOIOT_UHFFFAOYSA_N =  1.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_SCDRKAWXSVOIOT_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SCDRKAWXSVOIOT_UHFFFAOYSA_N =  3.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C86OOH
! formula:  C_8H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SPJZDLLIJATZHB-UHFFFAOYSA-N
Hvpx_SPJZDLLIJATZHB_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SPJZDLLIJATZHB_UHFFFAOYSA_N =  3.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SPJZDLLIJATZHB_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO6C7CO3H
! formula:  C_8H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UKHVIUJOBBSNIJ-UHFFFAOYSA-N
Hvpx_UKHVIUJOBBSNIJ_UHFFFAOYSA_N =  4.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UKHVIUJOBBSNIJ_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UKHVIUJOBBSNIJ_UHFFFAOYSA_N =  6.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO7C8OOH
! formula:  C_8H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NDXYTTLTSMWWGD-UHFFFAOYSA-N
Hvpx_NDXYTTLTSMWWGD_UHFFFAOYSA_N =  5.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NDXYTTLTSMWWGD_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NDXYTTLTSMWWGD_UHFFFAOYSA_N =  7.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYBPER2OH
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HJWPGRMMUKJUOW-UHFFFAOYSA-N
Hvpx_HJWPGRMMUKJUOW_UHFFFAOYSA_N =  5.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_HJWPGRMMUKJUOW_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HJWPGRMMUKJUOW_UHFFFAOYSA_N =  3.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYBPEROOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JLBHNTWNBASURB-UHFFFAOYSA-N
Hvpx_JLBHNTWNBASURB_UHFFFAOYSA_N =  2.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JLBHNTWNBASURB_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JLBHNTWNBASURB_UHFFFAOYSA_N =  4.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYOLOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HYWULKMMJLAVGS-UHFFFAOYSA-N
Hvpx_HYWULKMMJLAVGS_UHFFFAOYSA_N =  3.2E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_HYWULKMMJLAVGS_UHFFFAOYSA_N =  7.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_HYWULKMMJLAVGS_UHFFFAOYSA_N =  3.6E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYOLOOH
! formula:  C_8H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: GRFXDNYNQVBVKX-UHFFFAOYSA-N
Hvpx_GRFXDNYNQVBVKX_UHFFFAOYSA_N =  1.2E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_GRFXDNYNQVBVKX_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GRFXDNYNQVBVKX_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYBPER2OH
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VCLGCGXZSIRZEA-UHFFFAOYSA-N
Hvpx_VCLGCGXZSIRZEA_UHFFFAOYSA_N =  5.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VCLGCGXZSIRZEA_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VCLGCGXZSIRZEA_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYBPEROOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AMPOFIFBYJNSOH-UHFFFAOYSA-N
Hvpx_AMPOFIFBYJNSOH_UHFFFAOYSA_N =  2.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_AMPOFIFBYJNSOH_UHFFFAOYSA_N =  3.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AMPOFIFBYJNSOH_UHFFFAOYSA_N =  2.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYOLOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CAIZPBLFMULAII-UHFFFAOYSA-N
Hvpx_CAIZPBLFMULAII_UHFFFAOYSA_N =  2.7E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_CAIZPBLFMULAII_UHFFFAOYSA_N =  4.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CAIZPBLFMULAII_UHFFFAOYSA_N =  1.4E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYOLOOH
! formula:  C_8H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: QYYRJAPHRBSJOE-UHFFFAOYSA-N
Hvpx_QYYRJAPHRBSJOE_UHFFFAOYSA_N =  1.0E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_QYYRJAPHRBSJOE_UHFFFAOYSA_N =  9.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_QYYRJAPHRBSJOE_UHFFFAOYSA_N =  6.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYBPER2OH
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IOEDFCIBQPWSMP-UHFFFAOYSA-N
Hvpx_IOEDFCIBQPWSMP_UHFFFAOYSA_N =  5.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_IOEDFCIBQPWSMP_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IOEDFCIBQPWSMP_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYBPEROOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LZVOCZWDZPUJRQ-UHFFFAOYSA-N
Hvpx_LZVOCZWDZPUJRQ_UHFFFAOYSA_N =  2.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LZVOCZWDZPUJRQ_UHFFFAOYSA_N =  3.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LZVOCZWDZPUJRQ_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYOLOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YSBIHFSZRPVTOU-UHFFFAOYSA-N
Hvpx_YSBIHFSZRPVTOU_UHFFFAOYSA_N =  2.7E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_YSBIHFSZRPVTOU_UHFFFAOYSA_N =  3.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_YSBIHFSZRPVTOU_UHFFFAOYSA_N =  5.7E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYOLOOH
! formula:  C_8H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ROOFTVJQSDLVOJ-UHFFFAOYSA-N
Hvpx_ROOFTVJQSDLVOJ_UHFFFAOYSA_N =  1.0E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_ROOFTVJQSDLVOJ_UHFFFAOYSA_N =  8.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ROOFTVJQSDLVOJ_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C96OOH
! formula:  C_9H_{20}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GGTTUTGCXALAOI-UHFFFAOYSA-N
Hvpx_GGTTUTGCXALAOI_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GGTTUTGCXALAOI_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GGTTUTGCXALAOI_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO7C8CO3H
! formula:  C_9H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LZPDGAGYXQEGIA-UHFFFAOYSA-N
Hvpx_LZPDGAGYXQEGIA_UHFFFAOYSA_N =  5.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LZPDGAGYXQEGIA_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LZPDGAGYXQEGIA_UHFFFAOYSA_N =  5.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO8C9OOH
! formula:  C_9H_{20}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DDKPTZKAQLYQQK-UHFFFAOYSA-N
Hvpx_DDKPTZKAQLYQQK_UHFFFAOYSA_N =  6.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DDKPTZKAQLYQQK_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DDKPTZKAQLYQQK_UHFFFAOYSA_N =  8.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBENZOLOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MXOPSFWTSRHQGT-UHFFFAOYSA-N
Hvpx_MXOPSFWTSRHQGT_UHFFFAOYSA_N =  2.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_MXOPSFWTSRHQGT_UHFFFAOYSA_N =  5.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MXOPSFWTSRHQGT_UHFFFAOYSA_N =  3.7E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBZBPR2OH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZYFWWFFTFWUTQU-UHFFFAOYSA-N
Hvpx_ZYFWWFFTFWUTQU_UHFFFAOYSA_N =  4.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZYFWWFFTFWUTQU_UHFFFAOYSA_N =  8.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZYFWWFFTFWUTQU_UHFFFAOYSA_N =  6.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBZBPROOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PFZQQVVUSVRBJH-UHFFFAOYSA-N
Hvpx_PFZQQVVUSVRBJH_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PFZQQVVUSVRBJH_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PFZQQVVUSVRBJH_UHFFFAOYSA_N =  2.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBZOLOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CHCZSTHNGRHXBM-UHFFFAOYSA-N
Hvpx_CHCZSTHNGRHXBM_UHFFFAOYSA_N =  9.3E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_CHCZSTHNGRHXBM_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CHCZSTHNGRHXBM_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLBPR2OH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WBMKIPDFTCRXQQ-UHFFFAOYSA-N
Hvpx_WBMKIPDFTCRXQQ_UHFFFAOYSA_N =  7.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WBMKIPDFTCRXQQ_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WBMKIPDFTCRXQQ_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLBPROOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JDOROKVPYHJTEM-UHFFFAOYSA-N
Hvpx_JDOROKVPYHJTEM_UHFFFAOYSA_N =  3.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JDOROKVPYHJTEM_UHFFFAOYSA_N =  5.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JDOROKVPYHJTEM_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METOLOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JGSZPUTWQXTPGZ-UHFFFAOYSA-N
Hvpx_JGSZPUTWQXTPGZ_UHFFFAOYSA_N =  4.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_JGSZPUTWQXTPGZ_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JGSZPUTWQXTPGZ_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METOLOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: WHWNZVSDBMWGPT-UHFFFAOYSA-N
Hvpx_WHWNZVSDBMWGPT_UHFFFAOYSA_N =  1.6E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_WHWNZVSDBMWGPT_UHFFFAOYSA_N =  2.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WHWNZVSDBMWGPT_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLBPR2OH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HUTNYAIOWRBWAA-UHFFFAOYSA-N
Hvpx_HUTNYAIOWRBWAA_UHFFFAOYSA_N =  7.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_HUTNYAIOWRBWAA_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HUTNYAIOWRBWAA_UHFFFAOYSA_N =  7.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLBPROOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JWHYGBDQJAPXFD-UHFFFAOYSA-N
Hvpx_JWHYGBDQJAPXFD_UHFFFAOYSA_N =  3.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JWHYGBDQJAPXFD_UHFFFAOYSA_N =  4.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JWHYGBDQJAPXFD_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETOLOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RKSMHAQFVDQZCV-UHFFFAOYSA-N
Hvpx_RKSMHAQFVDQZCV_UHFFFAOYSA_N =  3.3E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_RKSMHAQFVDQZCV_UHFFFAOYSA_N =  7.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RKSMHAQFVDQZCV_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETOLOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: HMIPOFAAVJMIHR-UHFFFAOYSA-N
Hvpx_HMIPOFAAVJMIHR_UHFFFAOYSA_N =  1.2E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_HMIPOFAAVJMIHR_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_HMIPOFAAVJMIHR_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBENZOLOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PPOCUJCGHLIXAB-UHFFFAOYSA-N
Hvpx_PPOCUJCGHLIXAB_UHFFFAOYSA_N =  2.6E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_PPOCUJCGHLIXAB_UHFFFAOYSA_N =  7.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PPOCUJCGHLIXAB_UHFFFAOYSA_N =  2.0E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBENZOLOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: YYEAFIOCCPRRFC-UHFFFAOYSA-N
Hvpx_YYEAFIOCCPRRFC_UHFFFAOYSA_N =  9.7E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_YYEAFIOCCPRRFC_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YYEAFIOCCPRRFC_UHFFFAOYSA_N =  5.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZBPER2OH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NXHGWQBANLWNAY-UHFFFAOYSA-N
Hvpx_NXHGWQBANLWNAY_UHFFFAOYSA_N =  4.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NXHGWQBANLWNAY_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NXHGWQBANLWNAY_UHFFFAOYSA_N =  3.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZBPEROOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BDTBCPZZIFVKES-UHFFFAOYSA-N
Hvpx_BDTBCPZZIFVKES_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_BDTBCPZZIFVKES_UHFFFAOYSA_N =  2.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BDTBCPZZIFVKES_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLBPR2OH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZJSMOJBPUXMKGO-UHFFFAOYSA-N
Hvpx_ZJSMOJBPUXMKGO_UHFFFAOYSA_N =  7.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZJSMOJBPUXMKGO_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZJSMOJBPUXMKGO_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLBPROOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HYHORQQVDRWXSH-UHFFFAOYSA-N
Hvpx_HYHORQQVDRWXSH_UHFFFAOYSA_N =  3.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_HYHORQQVDRWXSH_UHFFFAOYSA_N =  5.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HYHORQQVDRWXSH_UHFFFAOYSA_N =  6.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETOLOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WWMQWQMHOYSCPT-UHFFFAOYSA-N
Hvpx_WWMQWQMHOYSCPT_UHFFFAOYSA_N =  3.3E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_WWMQWQMHOYSCPT_UHFFFAOYSA_N =  6.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WWMQWQMHOYSCPT_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETOLOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: NWKQTACFFZGFMV-UHFFFAOYSA-N
Hvpx_NWKQTACFFZGFMV_UHFFFAOYSA_N =  1.2E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_NWKQTACFFZGFMV_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NWKQTACFFZGFMV_UHFFFAOYSA_N =  8.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123BP2OH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XELNTWYHIBVYRB-UHFFFAOYSA-N
Hvpx_XELNTWYHIBVYRB_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XELNTWYHIBVYRB_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XELNTWYHIBVYRB_UHFFFAOYSA_N =  4.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123BPOOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VYRKWTIFXGFOKI-UHFFFAOYSA-N
Hvpx_VYRKWTIFXGFOKI_UHFFFAOYSA_N =  4.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_VYRKWTIFXGFOKI_UHFFFAOYSA_N =  6.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VYRKWTIFXGFOKI_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123OLOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CUPCKHHMKYENPF-UHFFFAOYSA-N
Hvpx_CUPCKHHMKYENPF_UHFFFAOYSA_N =  4.0E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_CUPCKHHMKYENPF_UHFFFAOYSA_N =  6.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CUPCKHHMKYENPF_UHFFFAOYSA_N =  7.0E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123OLOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: QKUAZMPWBBDUFL-UHFFFAOYSA-N
Hvpx_QKUAZMPWBBDUFL_UHFFFAOYSA_N =  1.5E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_QKUAZMPWBBDUFL_UHFFFAOYSA_N =  1.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QKUAZMPWBBDUFL_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124BP2OH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ALTMQDHYGSUKTA-UHFFFAOYSA-N
Hvpx_ALTMQDHYGSUKTA_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ALTMQDHYGSUKTA_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ALTMQDHYGSUKTA_UHFFFAOYSA_N =  3.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124BPOOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WAGRVRZIKOHUQN-UHFFFAOYSA-N
Hvpx_WAGRVRZIKOHUQN_UHFFFAOYSA_N =  4.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WAGRVRZIKOHUQN_UHFFFAOYSA_N =  7.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WAGRVRZIKOHUQN_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124OLOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BDZMWXRIFUJLAS-UHFFFAOYSA-N
Hvpx_BDZMWXRIFUJLAS_UHFFFAOYSA_N =  4.0E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_BDZMWXRIFUJLAS_UHFFFAOYSA_N =  4.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_BDZMWXRIFUJLAS_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124OLOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BWEFFYCDYKVJMY-UHFFFAOYSA-N
Hvpx_BWEFFYCDYKVJMY_UHFFFAOYSA_N =  1.5E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_BWEFFYCDYKVJMY_UHFFFAOYSA_N =  1.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BWEFFYCDYKVJMY_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM135BP2OH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UOFFRVMQLZOQAS-UHFFFAOYSA-N
Hvpx_UOFFRVMQLZOQAS_UHFFFAOYSA_N =  9.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UOFFRVMQLZOQAS_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UOFFRVMQLZOQAS_UHFFFAOYSA_N =  4.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM135BPOOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JMJJTOHEWPZJQK-UHFFFAOYSA-N
Hvpx_JMJJTOHEWPZJQK_UHFFFAOYSA_N =  3.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JMJJTOHEWPZJQK_UHFFFAOYSA_N =  7.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JMJJTOHEWPZJQK_UHFFFAOYSA_N =  5.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM135OLOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QLKJHZCZIQIKHZ-UHFFFAOYSA-N
Hvpx_QLKJHZCZIQIKHZ_UHFFFAOYSA_N =  5.0E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_QLKJHZCZIQIKHZ_UHFFFAOYSA_N =  1.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QLKJHZCZIQIKHZ_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM135OLOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BLJZZZVPECPSDH-UHFFFAOYSA-N
Hvpx_BLJZZZVPECPSDH_UHFFFAOYSA_N =  1.9E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_BLJZZZVPECPSDH_UHFFFAOYSA_N =  2.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BLJZZZVPECPSDH_UHFFFAOYSA_N =  8.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:APINAOOH
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RYIWEMFTAFVTLU-UHFFFAOYSA-N
Hvpx_RYIWEMFTAFVTLU_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RYIWEMFTAFVTLU_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RYIWEMFTAFVTLU_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:APINBOOH
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: USRGRUOHOYDFID-UHFFFAOYSA-N
Hvpx_USRGRUOHOYDFID_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_USRGRUOHOYDFID_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_USRGRUOHOYDFID_UHFFFAOYSA_N =  4.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:APINCOOH
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PONCTWLYBMTTOF-UHFFFAOYSA-N
Hvpx_PONCTWLYBMTTOF_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PONCTWLYBMTTOF_UHFFFAOYSA_N =  3.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PONCTWLYBMTTOF_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BPINAOOH
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YIWAKBLZYMRLPO-UHFFFAOYSA-N
Hvpx_YIWAKBLZYMRLPO_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YIWAKBLZYMRLPO_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YIWAKBLZYMRLPO_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BPINBOOH
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LNOABRBKZGHYLB-UHFFFAOYSA-N
Hvpx_LNOABRBKZGHYLB_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LNOABRBKZGHYLB_UHFFFAOYSA_N =  4.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LNOABRBKZGHYLB_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BPINCOOH
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ONJNLKNHLLSXIR-UHFFFAOYSA-N
Hvpx_ONJNLKNHLLSXIR_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ONJNLKNHLLSXIR_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ONJNLKNHLLSXIR_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C918CO3H
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NCSYYALRPIRWRM-UHFFFAOYSA-N
Hvpx_NCSYYALRPIRWRM_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NCSYYALRPIRWRM_UHFFFAOYSA_N =  9.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NCSYYALRPIRWRM_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMEBPR2OH
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JNPNKLHEXQFLDW-UHFFFAOYSA-N
Hvpx_JNPNKLHEXQFLDW_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JNPNKLHEXQFLDW_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JNPNKLHEXQFLDW_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMEBPROOH
! formula:  C_{10}H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FGEXZPMCUOXGAY-UHFFFAOYSA-N
Hvpx_FGEXZPMCUOXGAY_UHFFFAOYSA_N =  4.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_FGEXZPMCUOXGAY_UHFFFAOYSA_N =  7.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FGEXZPMCUOXGAY_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMEPHOLOH
! formula:  C_{10}H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KIALIUKUKYONFN-UHFFFAOYSA-N
Hvpx_KIALIUKUKYONFN_UHFFFAOYSA_N =  6.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_KIALIUKUKYONFN_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KIALIUKUKYONFN_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMEPHOLOOH
! formula:  C_{10}H_{16}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: NQWKUASPEMANIL-UHFFFAOYSA-N
Hvpx_NQWKUASPEMANIL_UHFFFAOYSA_N =  2.3E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_NQWKUASPEMANIL_UHFFFAOYSA_N =  3.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NQWKUASPEMANIL_UHFFFAOYSA_N =  1.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C106OOH
! formula:  C_{10}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FUGKCLXVXWNPCD-UHFFFAOYSA-N
Hvpx_FUGKCLXVXWNPCD_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FUGKCLXVXWNPCD_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FUGKCLXVXWNPCD_UHFFFAOYSA_N =  4.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO8C9CO3H
! formula:  C_{10}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UIPJRQQFQSAZPI-UHFFFAOYSA-N
Hvpx_UIPJRQQFQSAZPI_UHFFFAOYSA_N =  6.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UIPJRQQFQSAZPI_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UIPJRQQFQSAZPI_UHFFFAOYSA_N =  7.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMAOOH
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FPMDSGWWEURSNO-UHFFFAOYSA-N
Hvpx_FPMDSGWWEURSNO_UHFFFAOYSA_N =  1.5E-05 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_FPMDSGWWEURSNO_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FPMDSGWWEURSNO_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FPMDSGWWEURSNO_UHFFFAOYSA_N =  7.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMBOOH
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KUZZIHAARVNWSI-UHFFFAOYSA-N
Hvpx_KUZZIHAARVNWSI_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KUZZIHAARVNWSI_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KUZZIHAARVNWSI_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMCOOH
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VVHMRXSQYYKNLC-UHFFFAOYSA-N
Hvpx_VVHMRXSQYYKNLC_UHFFFAOYSA_N =  1.5E-05 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_VVHMRXSQYYKNLC_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VVHMRXSQYYKNLC_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VVHMRXSQYYKNLC_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DEMPHOLOH
! formula:  C_{11}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZTCJTCVANLKQAR-UHFFFAOYSA-N
Hvpx_ZTCJTCVANLKQAR_UHFFFAOYSA_N =  6.9E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_ZTCJTCVANLKQAR_UHFFFAOYSA_N =  2.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZTCJTCVANLKQAR_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DEMPHOLOOH
! formula:  C_{11}H_{18}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: MGZZNFCOXGVYJN-UHFFFAOYSA-N
Hvpx_MGZZNFCOXGVYJN_UHFFFAOYSA_N =  2.6E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_MGZZNFCOXGVYJN_UHFFFAOYSA_N =  5.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MGZZNFCOXGVYJN_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DETLBPR2OH
! formula:  C_{11}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DLRWBBGTDDBDMY-UHFFFAOYSA-N
Hvpx_DLRWBBGTDDBDMY_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DLRWBBGTDDBDMY_UHFFFAOYSA_N =  3.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DLRWBBGTDDBDMY_UHFFFAOYSA_N =  6.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DETLBPROOH
! formula:  C_{11}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XWTOJCWARUYVPA-UHFFFAOYSA-N
Hvpx_XWTOJCWARUYVPA_UHFFFAOYSA_N =  5.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XWTOJCWARUYVPA_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XWTOJCWARUYVPA_UHFFFAOYSA_N =  5.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C116OOH
! formula:  C_{11}H_{24}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XCBVDNPGCYSIMS-UHFFFAOYSA-N
Hvpx_XCBVDNPGCYSIMS_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XCBVDNPGCYSIMS_UHFFFAOYSA_N =  4.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XCBVDNPGCYSIMS_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C126OOH
! formula:  C_{12}H_{26}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FENUAUYSPLOZDX-UHFFFAOYSA-N
Hvpx_FENUAUYSPLOZDX_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FENUAUYSPLOZDX_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FENUAUYSPLOZDX_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCAOOH
! formula:  C_{15}H_{26}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UHQMVBPMTRQRFN-UHFFFAOYSA-N
Hvpx_UHQMVBPMTRQRFN_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UHQMVBPMTRQRFN_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UHQMVBPMTRQRFN_UHFFFAOYSA_N =  5.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCBOOH
! formula:  C_{15}H_{26}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LZWWDZWHHIWFFS-UHFFFAOYSA-N
Hvpx_LZWWDZWHHIWFFS_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LZWWDZWHHIWFFS_UHFFFAOYSA_N =  5.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LZWWDZWHHIWFFS_UHFFFAOYSA_N =  8.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCCOOH
! formula:  C_{15}H_{26}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LYZHLRDUTRINQK-UHFFFAOYSA-N
Hvpx_LYZHLRDUTRINQK_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LYZHLRDUTRINQK_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LYZHLRDUTRINQK_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CATEC1OOH
! formula:  C_6H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GQLFYNLDVCYDKN-UHFFFAOYSA-N
Hvpx_GQLFYNLDVCYDKN_UHFFFAOYSA_N =  7.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GQLFYNLDVCYDKN_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GQLFYNLDVCYDKN_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MCATEC1OOH
! formula:  C_7H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XVDDPRZRYAGIKB-UHFFFAOYSA-N
Hvpx_XVDDPRZRYAGIKB_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XVDDPRZRYAGIKB_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XVDDPRZRYAGIKB_UHFFFAOYSA_N =  2.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ECATEC1OOH
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WXEIAPGLSOOSMJ-UHFFFAOYSA-N
Hvpx_WXEIAPGLSOOSMJ_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WXEIAPGLSOOSMJ_UHFFFAOYSA_N =  6.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WXEIAPGLSOOSMJ_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXCTEC1OOH
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OTSRNDWSIFNBPX-UHFFFAOYSA-N
Hvpx_OTSRNDWSIFNBPX_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OTSRNDWSIFNBPX_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OTSRNDWSIFNBPX_UHFFFAOYSA_N =  6.6E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OCATEC1OOH
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FFFASTPMSYAWLR-UHFFFAOYSA-N
Hvpx_FFFASTPMSYAWLR_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FFFASTPMSYAWLR_UHFFFAOYSA_N =  3.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FFFASTPMSYAWLR_UHFFFAOYSA_N =  3.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PCATEC1OOH
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XEPXMQBYFZNYBF-UHFFFAOYSA-N
Hvpx_XEPXMQBYFZNYBF_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XEPXMQBYFZNYBF_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XEPXMQBYFZNYBF_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:STYRENOOH
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PRSNAZGJNCSLPW-UHFFFAOYSA-N
Hvpx_PRSNAZGJNCSLPW_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PRSNAZGJNCSLPW_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PRSNAZGJNCSLPW_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPCATC1OOH
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LUGXJULPVOELPW-UHFFFAOYSA-N
Hvpx_LUGXJULPVOELPW_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LUGXJULPVOELPW_UHFFFAOYSA_N =  9.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LUGXJULPVOELPW_UHFFFAOYSA_N =  9.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTCTEC1OOH
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RXVYKZMASOKYNM-UHFFFAOYSA-N
Hvpx_RXVYKZMASOKYNM_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RXVYKZMASOKYNM_UHFFFAOYSA_N =  7.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RXVYKZMASOKYNM_UHFFFAOYSA_N =  8.4E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OTCTEC1OOH
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BNYRTZAXTAHDLR-UHFFFAOYSA-N
Hvpx_BNYRTZAXTAHDLR_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BNYRTZAXTAHDLR_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BNYRTZAXTAHDLR_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRCATC1OOH
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WDHGVTVSFNORIO-UHFFFAOYSA-N
Hvpx_WDHGVTVSFNORIO_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WDHGVTVSFNORIO_UHFFFAOYSA_N =  9.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WDHGVTVSFNORIO_UHFFFAOYSA_N =  9.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PTCTEC1OOH
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SXYSFXQBYZNKPP-UHFFFAOYSA-N
Hvpx_SXYSFXQBYZNKPP_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SXYSFXQBYZNKPP_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SXYSFXQBYZNKPP_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:T123CT1OOH
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XFULZEJTRUOVEV-UHFFFAOYSA-N
Hvpx_XFULZEJTRUOVEV_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XFULZEJTRUOVEV_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XFULZEJTRUOVEV_UHFFFAOYSA_N =  7.5E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:T124CT1OOH
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XVSFIBYJDMNABQ-UHFFFAOYSA-N
Hvpx_XVSFIBYJDMNABQ_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XVSFIBYJDMNABQ_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XVSFIBYJDMNABQ_UHFFFAOYSA_N =  2.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HCOCH2OOH
! formula:  C_2H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: TUJPSEFVDYHSJJ-UHFFFAOYSA-N
Hvpx_TUJPSEFVDYHSJJ_UHFFFAOYSA_N =  7.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_TUJPSEFVDYHSJJ_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_TUJPSEFVDYHSJJ_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HCOCO3H
! formula:  C_2H_2O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JOALXJIWVKUVBR-UHFFFAOYSA-N
Hvpx_JOALXJIWVKUVBR_UHFFFAOYSA_N =  5.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JOALXJIWVKUVBR_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JOALXJIWVKUVBR_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3DIALOOH
! formula:  C_3H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VUPDPJIDXKCVGY-UHFFFAOYSA-N
Hvpx_VUPDPJIDXKCVGY_UHFFFAOYSA_N =  9.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VUPDPJIDXKCVGY_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VUPDPJIDXKCVGY_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOC2H4OOH
! formula:  C_3H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XSASRUDTFFBDDK-UHFFFAOYSA-N
Hvpx_XSASRUDTFFBDDK_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XSASRUDTFFBDDK_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XSASRUDTFFBDDK_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  methanal
! formula:  HCHO
! trivial:  formaldehyde
! casrn:    50-00-0
! inchikey: WSFSSNUMVMOOMR-UHFFFAOYSA-N
Hvpx______50_00_0 =  1.7E-02 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______50_00_0 =  1.7E-02 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______50_00_0 =  1.7E-02 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx______50_00_0 =  1.7E-02 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______50_00_0 =  1.7E-02 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______50_00_0 =  1.7E-02 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______50_00_0 =  1.7E-02 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______50_00_0 =  1.5E-02 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3111
Hvpx______50_00_0 =  1.6E-02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2817
Hvpx______50_00_0 =  1.0E-02 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2829
Hvpx______50_00_0 =  5.5E-03                                  ! [atm] type: M, ref: 2837
Hvpx______50_00_0 =  1.8E-02 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 630
Hvpx______50_00_0 =  1.8E-02 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 484
Hvpx______50_00_0 =  1.8E-02                                  ! [atm] type: V, ref: 477
Hvpx______50_00_0 =  2.4E-01                                  ! [atm] type: V, ref: 2439
Hvpx______50_00_0 =  7.9E-03 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: T, ref: 87
Hvpx______50_00_0 =  1.9E-02 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: X, ref: bell66
Hvpx______50_00_0 =  9.2E-03                                  ! [atm] type: X, ref: gaffney84
Hvpx______50_00_0 =  1.2E-02                                  ! [atm] type: C, ref: 2527
Hvpx______50_00_0 =  3.8E-03                                  ! [atm] type: C, ref: 67
Hvpx______50_00_0 =  7.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______50_00_0 =  1.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______50_00_0 =  5.2E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______50_00_0 =  2.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______50_00_0 =  7.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______50_00_0 =  1.3E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______50_00_0 =  6.0E+00                                  ! [atm] type: Q, ref: 2543
Hvpx______50_00_0 =  8.7E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______50_00_0 =  3.0E+00                                  ! [atm] type: Q, ref: 984
Hvpx______50_00_0 =  5.5E-03                                  ! [atm] type: Q, ref: 1145
Hvpx______50_00_0 =  1.3E+01                                  ! [atm] type: ?, ref: 1500
Hvpx______50_00_0 =  8.8E-03                                  ! [atm] type: ?, ref: 523

! species:  ethanal
! formula:  CH_3CHO
! trivial:  acetaldehyde
! casrn:    75-07-0
! inchikey: IKHGUXGNUITLKF-UHFFFAOYSA-N
Hvpx______75_07_0 =  4.3E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_07_0 =  4.3E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_07_0 =  3.7E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_07_0 =  4.3E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_07_0 =  4.3E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______75_07_0 =  4.0E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______75_07_0 =  3.9E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______75_07_0 =  3.2E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3215
Hvpx______75_07_0 =  3.6E+00 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2524
Hvpx______75_07_0 =  4.9E+00                                  ! [atm] type: M, ref: 1937
Hvpx______75_07_0 =  3.7E+00                                  ! [atm] type: M, ref: 2964
Hvpx______75_07_0 =  4.1E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 617
Hvpx______75_07_0 =  3.3E+00 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 630
Hvpx______75_07_0 =  7.6E+00                                  ! [atm] type: M, ref: 2924
Hvpx______75_07_0 =  4.5E+00 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 484
Hvpx______75_07_0 =  4.4E+00 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 483
Hvpx______75_07_0 =  6.6E+00                                  ! [atm] type: M, ref: 3635
Hvpx______75_07_0 =  3.4E+00                                  ! [atm] type: M, ref: 3669
Hvpx______75_07_0 =  2.1E+00                                  ! [atm] type: M, ref: 1492
Hvpx______75_07_0 =  3.7E+00                                  ! [atm] type: M, ref: 754
Hvpx______75_07_0 =  4.6E+00                                  ! [atm] type: V, ref: 2964
Hvpx______75_07_0 =  4.6E+00                                  ! [atm] type: V, ref: 2439
Hvpx______75_07_0 =  7.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_07_0 =  3.2E+01 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx______75_07_0 =  3.1E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______75_07_0 =  3.7E+00                                  ! [atm] type: X, ref: gaffney84
Hvpx______75_07_0 =  3.6E+00                                  ! [atm] type: X, ref: 2223
Hvpx______75_07_0 =  3.0E+00                                  ! [atm] type: Q, ref: 3682
Hvpx______75_07_0 =  6.1E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______75_07_0 =  5.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______75_07_0 =  5.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_07_0 =  1.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_07_0 =  4.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_07_0 =  3.6E+00                                  ! [atm] type: Q, ref: 3689
Hvpx______75_07_0 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_07_0 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_07_0 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_07_0 =  4.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______75_07_0 =  5.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______75_07_0 =  3.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______75_07_0 =  8.2E+00                                  ! [atm] type: Q, ref: 3731
Hvpx______75_07_0 =  3.8E+00                                  ! [atm] type: Q, ref: 2543
Hvpx______75_07_0 =  3.9E+00                                  ! [atm] type: Q, ref: 2964
Hvpx______75_07_0 =  7.1E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______75_07_0 =  3.7E+00                                  ! [atm] type: Q, ref: 984
Hvpx______75_07_0 =  4.1E+00                                  ! [atm] type: Q, ref: 1162
Hvpx______75_07_0 =  3.7E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______75_07_0 =  3.7E+00                                  ! [atm] type: ?, ref: 2613
Hvpx______75_07_0 =  5.3E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______75_07_0 =  5.6E+00                                  ! [atm] type: ?, ref: 789
Hvpx______75_07_0 =  3.6E+00                                  ! [atm] type: ?, ref: 1500

! species:  ethanedial
! formula:  OHCCHO
! trivial:  glyoxal
! casrn:    107-22-2
! inchikey: LEQAOMBKQFMDFZ-UHFFFAOYSA-N
Hvpx_____107_22_2 =  1.3E-04 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____107_22_2 =  1.3E-04 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____107_22_2 =  1.3E-04 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____107_22_2 =  1.1E-06                                  ! [atm] type: M, ref: 3010
Hvpx_____107_22_2 =  1.3E-04 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2401
Hvpx_____107_22_2 =  2.1E-06                                  ! [atm] type: M, ref: 2321
Hvpx_____107_22_2 =  1.5E-04                                  ! [atm] type: M, ref: 630
Hvpx_____107_22_2 =  1.8E-04                                  ! [atm] type: M, ref: 484
Hvpx_____107_22_2 =  4.0E-05                                  ! [atm] type: C, ref: 2527
Hvpx_____107_22_2 =  2.8E-03                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_22_2 =  3.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_22_2 =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_22_2 =  5.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_22_2 =  4.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_22_2 =  1.8E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_22_2 =  2.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_22_2 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_22_2 =  1.8E-04                                  ! [atm] type: ?, ref: 3586
Hvpx_____107_22_2 =  2.0E-06                                  ! [atm] type: ?, ref: 3581

! species:  propanal
! formula:  C_2H_5CHO
! trivial:  propionaldehyde
! casrn:    123-38-6
! inchikey: NBBJYMSMWIIQGU-UHFFFAOYSA-N
Hvpx_____123_38_6 =  5.5E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____123_38_6 =  5.5E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____123_38_6 =  4.1E+00 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____123_38_6 =  5.5E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____123_38_6 =  5.5E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____123_38_6 =  4.3E+00                                  ! [atm] type: M, ref: 3111
Hvpx_____123_38_6 =  6.0E+00                                  ! [atm] type: M, ref: 3032
Hvpx_____123_38_6 =  4.3E+00 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2524
Hvpx_____123_38_6 =  4.1E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 630
Hvpx_____123_38_6 =  9.0E+00                                  ! [atm] type: M, ref: 3635
Hvpx_____123_38_6 =  4.6E+00                                  ! [atm] type: M, ref: 3669
Hvpx_____123_38_6 =  4.1E+00                                  ! [atm] type: M, ref: 754
Hvpx_____123_38_6 =  7.3E+00                                  ! [atm] type: M, ref: 3075
Hvpx_____123_38_6 =  4.3E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____123_38_6 =  4.3E+01                                  ! [atm] type: V, ref: 636
Hvpx_____123_38_6 =  1.7E+01 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx_____123_38_6 =  3.5E+00                                  ! [atm] type: V, ref: 2388
Hvpx_____123_38_6 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_38_6 =  1.1E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: X, ref: 859
Hvpx_____123_38_6 =  2.0E+01 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx_____123_38_6 =  5.5E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____123_38_6 =  4.5E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____123_38_6 =  5.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_38_6 =  6.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_38_6 =  2.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_38_6 =  6.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_38_6 =  4.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____123_38_6 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_38_6 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_38_6 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_38_6 =  4.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_38_6 =  3.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_38_6 =  4.0E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____123_38_6 =  4.9E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____123_38_6 =  9.4E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____123_38_6 =  4.6E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____123_38_6 =  7.4E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____123_38_6 =  5.3E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____123_38_6 =  4.1E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____123_38_6 =  4.1E+00                                  ! [atm] type: ?, ref: 2613
Hvpx_____123_38_6 =  2.4E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____123_38_6 =  4.1E+00                                  ! [atm] type: ?, ref: 1500

! species:  propanedial
! formula:  C_3H_4O_2
! trivial:  malonaldehyde
! casrn:    542-78-9
! inchikey: WSMYVTOQOOLQHP-UHFFFAOYSA-N
Hvpx_____542_78_9 =  7.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____542_78_9 =  9.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____542_78_9 =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C32OH13CO
! formula:  C_3H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NVXLIZQNSVLKPO-UHFFFAOYSA-N
Hvpx_NVXLIZQNSVLKPO_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NVXLIZQNSVLKPO_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NVXLIZQNSVLKPO_UHFFFAOYSA_N =  6.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3CHOHCHO
! formula:  C_3H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BSABBBMNWQWLLU-UHFFFAOYSA-N
Hvpx_BSABBBMNWQWLLU_UHFFFAOYSA_N =  4.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BSABBBMNWQWLLU_UHFFFAOYSA_N =  5.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BSABBBMNWQWLLU_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOC2H4CHO
! formula:  C_3H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: AKXKFZDCRYJKTF-UHFFFAOYSA-N
Hvpx_AKXKFZDCRYJKTF_UHFFFAOYSA_N =  1.5E-02 * EXP(  -9900.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_AKXKFZDCRYJKTF_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AKXKFZDCRYJKTF_UHFFFAOYSA_N =  6.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AKXKFZDCRYJKTF_UHFFFAOYSA_N =  8.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  butanal
! formula:  C_3H_7CHO
! trivial:  butyraldehyde
! casrn:    123-72-8
! inchikey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
Hvpx_____123_72_8 =  5.8E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____123_72_8 =  5.8E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____123_72_8 =  6.0E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____123_72_8 =  5.8E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____123_72_8 =  5.8E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____123_72_8 =  8.9E+00                                  ! [atm] type: M, ref: 3032
Hvpx_____123_72_8 =  6.2E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2524
Hvpx_____123_72_8 =  5.8E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 630
Hvpx_____123_72_8 =  6.4E+00                                  ! [atm] type: M, ref: 754
Hvpx_____123_72_8 =  8.5E+00                                  ! [atm] type: M, ref: 3075
Hvpx_____123_72_8 =  8.4E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____123_72_8 =  8.4E+00                                  ! [atm] type: V, ref: 636
Hvpx_____123_72_8 =  5.4E+00                                  ! [atm] type: V, ref: 2439
Hvpx_____123_72_8 =  6.2E+00 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx_____123_72_8 =  8.1E+00                                  ! [atm] type: V, ref: 2388
Hvpx_____123_72_8 =  6.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_72_8 =  6.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_72_8 =  1.0E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx_____123_72_8 =  8.0E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____123_72_8 =  3.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____123_72_8 =  5.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_72_8 =  8.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_72_8 =  4.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_72_8 =  8.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_72_8 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_72_8 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_72_8 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_72_8 =  9.4E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____123_72_8 =  6.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_72_8 =  5.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_72_8 =  8.2E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____123_72_8 =  1.0E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____123_72_8 =  6.3E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____123_72_8 =  1.0E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____123_72_8 =  5.8E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____123_72_8 =  6.3E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____123_72_8 =  6.9E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____123_72_8 =  6.4E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____123_72_8 =  6.4E+00                                  ! [atm] type: ?, ref: 2613
Hvpx_____123_72_8 =  6.5E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____123_72_8 =  6.3E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-methylpropanal
! formula:  C_4H_8O
! trivial:  isobutyraldehyde
! casrn:    78-84-2
! inchikey: AMIMRNSIRUDHCM-UHFFFAOYSA-N
Hvpx______78_84_2 =  1.1E+01                                  ! [atm] type: L, ref: 3500
Hvpx______78_84_2 =  1.1E+01                                  ! [atm] type: L, ref: 3518
Hvpx______78_84_2 =  1.7E+01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3508
Hvpx______78_84_2 =  9.2E+01 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1571
Hvpx______78_84_2 =  1.7E+01                                  ! [atm] type: M, ref: 1922
Hvpx______78_84_2 =  1.6E+01                                  ! [atm] type: M, ref: 1923
Hvpx______78_84_2 =  1.1E+01                                  ! [atm] type: M, ref: 2388
Hvpx______78_84_2 =  1.0E+01                                  ! [atm] type: V, ref: 3586
Hvpx______78_84_2 =  1.0E+01                                  ! [atm] type: V, ref: 3088
Hvpx______78_84_2 =  8.1E+00                                  ! [atm] type: V, ref: 2388
Hvpx______78_84_2 =  9.4E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_84_2 =  1.2E+01                                  ! [atm] type: Q, ref: 3682
Hvpx______78_84_2 =  1.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______78_84_2 =  7.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______78_84_2 =  5.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______78_84_2 =  1.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______78_84_2 =  7.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______78_84_2 =  1.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______78_84_2 =  1.5E+01                                  ! [atm] type: Q, ref: 3731
Hvpx______78_84_2 =  1.1E+01                                  ! [atm] type: Q, ref: 2543
Hvpx______78_84_2 =  1.0E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______78_84_2 =  6.6E+00                                  ! [atm] type: Q, ref: 984
Hvpx______78_84_2 =  9.5E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______78_84_2 =  1.1E+01                                  ! [atm] type: ?, ref: 1500

! species:  2-methylpropanedial
! formula:  C_4H_6O_2
! trivial:  
! casrn:    16002-19-0
! inchikey: VXYSFSCCSQAYJV-UHFFFAOYSA-N
Hvpx___16002_19_0 =  8.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___16002_19_0 =  4.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx___16002_19_0 =  2.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MALDIAL
! formula:  C_4H_4O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JGEMYUOFGVHXKV-UHFFFAOYSA-N
Hvpx_JGEMYUOFGVHXKV_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JGEMYUOFGVHXKV_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JGEMYUOFGVHXKV_UHFFFAOYSA_N =  8.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3MDIALOH
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SQHUBVCIVAIUAB-UHFFFAOYSA-N
Hvpx_SQHUBVCIVAIUAB_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SQHUBVCIVAIUAB_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SQHUBVCIVAIUAB_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C41OH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YTBSYETUWUMLBZ-UHFFFAOYSA-N
Hvpx_YTBSYETUWUMLBZ_UHFFFAOYSA_N =  2.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YTBSYETUWUMLBZ_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YTBSYETUWUMLBZ_UHFFFAOYSA_N =  4.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C41OOH
! formula:  C_4H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ROHPNOOUQDXFHZ-UHFFFAOYSA-N
Hvpx_ROHPNOOUQDXFHZ_UHFFFAOYSA_N =  1.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ROHPNOOUQDXFHZ_UHFFFAOYSA_N =  1.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ROHPNOOUQDXFHZ_UHFFFAOYSA_N =  3.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4OCCOHCOH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DFFAMJFPVBTTBX-UHFFFAOYSA-N
Hvpx_DFFAMJFPVBTTBX_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DFFAMJFPVBTTBX_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DFFAMJFPVBTTBX_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOC3DIOL
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CQSYGAZTCJHVFE-UHFFFAOYSA-N
Hvpx_CQSYGAZTCJHVFE_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CQSYGAZTCJHVFE_UHFFFAOYSA_N =  2.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CQSYGAZTCJHVFE_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HC3CCHO
! formula:  C_4H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PPNVQCFSKPIRKK-UHFFFAOYSA-N
Hvpx_PPNVQCFSKPIRKK_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PPNVQCFSKPIRKK_UHFFFAOYSA_N =  6.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PPNVQCFSKPIRKK_UHFFFAOYSA_N =  3.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HC3CHO
! formula:  C_4H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FXCMZPXXCRHRNK-UHFFFAOYSA-N
Hvpx_FXCMZPXXCRHRNK_UHFFFAOYSA_N =  7.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FXCMZPXXCRHRNK_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FXCMZPXXCRHRNK_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMACROH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OUEKYUKJSLEOIU-UHFFFAOYSA-N
Hvpx_OUEKYUKJSLEOIU_UHFFFAOYSA_N =  3.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OUEKYUKJSLEOIU_UHFFFAOYSA_N =  6.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_OUEKYUKJSLEOIU_UHFFFAOYSA_N =  4.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMACR
! formula:  C_4H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: QVBICLGJAQXLSA-UHFFFAOYSA-N
Hvpx_QVBICLGJAQXLSA_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QVBICLGJAQXLSA_UHFFFAOYSA_N =  2.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QVBICLGJAQXLSA_UHFFFAOYSA_N =  5.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO13C3CHO
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NKVLMFFGFYHDNE-UHFFFAOYSA-N
Hvpx_NKVLMFFGFYHDNE_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NKVLMFFGFYHDNE_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NKVLMFFGFYHDNE_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C3CHO
! formula:  C_4H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HSJKGGMUJITCBW-UHFFFAOYSA-N
Hvpx_HSJKGGMUJITCBW_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HSJKGGMUJITCBW_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HSJKGGMUJITCBW_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C3CHO
! formula:  C_4H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: UIKQNMXWCYQNCS-UHFFFAOYSA-N
Hvpx_UIKQNMXWCYQNCS_UHFFFAOYSA_N =  5.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_UIKQNMXWCYQNCS_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UIKQNMXWCYQNCS_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOC3H6CHO
! formula:  C_4H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PIAOXUVIBAKVSP-UHFFFAOYSA-N
Hvpx_PIAOXUVIBAKVSP_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PIAOXUVIBAKVSP_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PIAOXUVIBAKVSP_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOHOC4DIAL
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UUWVJXZLAWXQBU-UHFFFAOYSA-N
Hvpx_UUWVJXZLAWXQBU_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UUWVJXZLAWXQBU_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UUWVJXZLAWXQBU_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOIPRCHO
! formula:  C_4H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JTMCAHGCWBGWRV-UHFFFAOYSA-N
Hvpx_JTMCAHGCWBGWRV_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JTMCAHGCWBGWRV_UHFFFAOYSA_N =  8.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JTMCAHGCWBGWRV_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IBUTALOH
! formula:  C_4H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HNVAGBIANFAIIL-UHFFFAOYSA-N
Hvpx_HNVAGBIANFAIIL_UHFFFAOYSA_N =  8.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HNVAGBIANFAIIL_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HNVAGBIANFAIIL_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MACROH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JBCPUXACCOWZEB-UHFFFAOYSA-N
Hvpx_JBCPUXACCOWZEB_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JBCPUXACCOWZEB_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JBCPUXACCOWZEB_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  pentanal
! formula:  C_4H_9CHO
! trivial:  valeraldehyde
! casrn:    110-62-3
! inchikey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N
Hvpx_____110_62_3 =  8.3E+00 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____110_62_3 =  8.0E+00                                  ! [atm] type: M, ref: 3111
Hvpx_____110_62_3 =  1.4E+01                                  ! [atm] type: M, ref: 3032
Hvpx_____110_62_3 =  7.7E+00 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2524
Hvpx_____110_62_3 =  8.6E+00 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 630
Hvpx_____110_62_3 =  8.1E+00                                  ! [atm] type: M, ref: 754
Hvpx_____110_62_3 =  9.3E+00                                  ! [atm] type: M, ref: 3075
Hvpx_____110_62_3 =  2.3E+00 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx_____110_62_3 =  8.5E+00                                  ! [atm] type: V, ref: 2388
Hvpx_____110_62_3 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_62_3 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_62_3 =  9.0E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____110_62_3 =  2.5E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____110_62_3 =  5.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_62_3 =  9.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_62_3 =  6.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_62_3 =  1.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_62_3 =  9.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_62_3 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_62_3 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_62_3 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_62_3 =  1.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_62_3 =  7.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_62_3 =  4.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_62_3 =  8.2E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_62_3 =  1.9E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____110_62_3 =  8.2E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_62_3 =  7.4E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____110_62_3 =  8.9E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____110_62_3 =  8.8E+00                                  ! [atm] type: Q, ref: 1145
Hvpx_____110_62_3 =  8.1E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____110_62_3 =  8.1E+00                                  ! [atm] type: ?, ref: 2613
Hvpx_____110_62_3 =  1.8E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____110_62_3 =  1.2E+01                                  ! [atm] type: ?, ref: 789
Hvpx_____110_62_3 =  8.2E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-methylbutanal
! formula:  C_5H_{10}O
! trivial:  
! casrn:    96-17-3
! inchikey: BYGQBDHUGHBGMD-UHFFFAOYSA-N
Hvpx______96_17_3 =  2.2E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______96_17_3 =  2.4E+01                                  ! [atm] type: M, ref: 1923
Hvpx______96_17_3 =  9.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______96_17_3 =  6.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______96_17_3 =  1.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______96_17_3 =  5.8E+01                                  ! [atm] type: Q, ref: 2600

! species:  3-methylbutanal
! formula:  C_5H_{10}O
! trivial:  isovaleraldehyde
! casrn:    590-86-3
! inchikey: YGHRJJRRZDOVPD-UHFFFAOYSA-N
Hvpx_____590_86_3 =  5.0E+01 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3508
Hvpx_____590_86_3 =  2.3E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3215
Hvpx_____590_86_3 =  2.6E+01                                  ! [atm] type: M, ref: 3032
Hvpx_____590_86_3 =  2.1E+01                                  ! [atm] type: M, ref: 1923
Hvpx_____590_86_3 =  2.7E+01                                  ! [atm] type: M, ref: 2387
Hvpx_____590_86_3 =  2.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____590_86_3 =  2.2E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____590_86_3 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____590_86_3 =  1.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____590_86_3 =  9.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____590_86_3 =  4.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____590_86_3 =  1.2E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____590_86_3 =  1.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____590_86_3 =  7.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____590_86_3 =  6.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____590_86_3 =  5.5E+01                                  ! [atm] type: Q, ref: 2600

! species:  MCM:C4MDIAL
! formula:  C_5H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: USBJWIKCHJDWPF-UHFFFAOYSA-N
Hvpx_USBJWIKCHJDWPF_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_USBJWIKCHJDWPF_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_USBJWIKCHJDWPF_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO1M22CHO
! formula:  C_5H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: WNBFTLCNQKKVHC-UHFFFAOYSA-N
Hvpx_WNBFTLCNQKKVHC_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WNBFTLCNQKKVHC_UHFFFAOYSA_N =  6.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WNBFTLCNQKKVHC_UHFFFAOYSA_N =  1.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  2,2-dimethylpropanal
! formula:  C_5H_{10}O
! trivial:  pivaldehyde
! casrn:    630-19-3
! inchikey: FJJYHTVHBVXEEQ-UHFFFAOYSA-N
Hvpx_____630_19_3 =  1.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____630_19_3 =  9.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____630_19_3 =  1.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3EDIALOH
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QTDYRJFEJDMBDI-UHFFFAOYSA-N
Hvpx_QTDYRJFEJDMBDI_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QTDYRJFEJDMBDI_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QTDYRJFEJDMBDI_UHFFFAOYSA_N =  4.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3M3OH2CHO
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VKYKDJZVZBURQF-UHFFFAOYSA-N
Hvpx_VKYKDJZVZBURQF_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VKYKDJZVZBURQF_UHFFFAOYSA_N =  8.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VKYKDJZVZBURQF_UHFFFAOYSA_N =  8.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C42CHO
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NGVSSTUGOBBIBC-UHFFFAOYSA-N
Hvpx_NGVSSTUGOBBIBC_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NGVSSTUGOBBIBC_UHFFFAOYSA_N =  1.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NGVSSTUGOBBIBC_UHFFFAOYSA_N =  3.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4M2AL2OH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NUHRTSFMSDZSTE-UHFFFAOYSA-N
Hvpx_NUHRTSFMSDZSTE_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NUHRTSFMSDZSTE_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NUHRTSFMSDZSTE_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4OHCHO
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SUTLBTHMXYSMSZ-UHFFFAOYSA-N
Hvpx_SUTLBTHMXYSMSZ_UHFFFAOYSA_N =  6.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SUTLBTHMXYSMSZ_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SUTLBTHMXYSMSZ_UHFFFAOYSA_N =  4.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C514OH
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UIVALZXFWDRKKE-UHFFFAOYSA-N
Hvpx_UIVALZXFWDRKKE_UHFFFAOYSA_N =  3.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UIVALZXFWDRKKE_UHFFFAOYSA_N =  6.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UIVALZXFWDRKKE_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C57OH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZKDSJDSEVDWBAC-UHFFFAOYSA-N
Hvpx_ZKDSJDSEVDWBAC_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZKDSJDSEVDWBAC_UHFFFAOYSA_N =  8.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZKDSJDSEVDWBAC_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C58OH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HTPZSALIZDTBIL-UHFFFAOYSA-N
Hvpx_HTPZSALIZDTBIL_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_HTPZSALIZDTBIL_UHFFFAOYSA_N =  4.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_HTPZSALIZDTBIL_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5DIALOH
! formula:  C_5H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KBKQEUDBRUGUIQ-UHFFFAOYSA-N
Hvpx_KBKQEUDBRUGUIQ_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KBKQEUDBRUGUIQ_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KBKQEUDBRUGUIQ_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H13C43CHO
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KJLUILOCNALPNM-UHFFFAOYSA-N
Hvpx_KJLUILOCNALPNM_UHFFFAOYSA_N =  3.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KJLUILOCNALPNM_UHFFFAOYSA_N =  3.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KJLUILOCNALPNM_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M2C3CHO
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FXFBPKDQLDOIRG-UHFFFAOYSA-N
Hvpx_FXFBPKDQLDOIRG_UHFFFAOYSA_N =  4.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FXFBPKDQLDOIRG_UHFFFAOYSA_N =  8.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FXFBPKDQLDOIRG_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HC4ACHO
! formula:  C_5H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BSHDRMLUCYMQOP-UHFFFAOYSA-N
Hvpx_BSHDRMLUCYMQOP_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BSHDRMLUCYMQOP_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BSHDRMLUCYMQOP_UHFFFAOYSA_N =  3.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HC4CCHO
! formula:  C_5H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GCHJBJOOADXJFT-UHFFFAOYSA-N
Hvpx_GCHJBJOOADXJFT_UHFFFAOYSA_N =  4.6E-04 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_GCHJBJOOADXJFT_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GCHJBJOOADXJFT_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GCHJBJOOADXJFT_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM22CHO
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JJMOMMLADQPZNY-UHFFFAOYSA-N
Hvpx_JJMOMMLADQPZNY_UHFFFAOYSA_N =  4.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JJMOMMLADQPZNY_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JJMOMMLADQPZNY_UHFFFAOYSA_N =  5.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO24C4CHO
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WDKLWOBHKQJYSU-UHFFFAOYSA-N
Hvpx_WDKLWOBHKQJYSU_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WDKLWOBHKQJYSU_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WDKLWOBHKQJYSU_UHFFFAOYSA_N =  4.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C43CHO
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZURZPPULRFXVLF-UHFFFAOYSA-N
Hvpx_ZURZPPULRFXVLF_UHFFFAOYSA_N =  2.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZURZPPULRFXVLF_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZURZPPULRFXVLF_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C4CHO
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HFZMJAMTNAAZQE-UHFFFAOYSA-N
Hvpx_HFZMJAMTNAAZQE_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HFZMJAMTNAAZQE_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HFZMJAMTNAAZQE_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C4CHO
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: WRWLNLBWBJEUPI-UHFFFAOYSA-N
Hvpx_WRWLNLBWBJEUPI_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WRWLNLBWBJEUPI_UHFFFAOYSA_N =  7.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WRWLNLBWBJEUPI_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOBUT2CHO
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PLBZJQQQFIOXRU-UHFFFAOYSA-N
Hvpx_PLBZJQQQFIOXRU_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PLBZJQQQFIOXRU_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PLBZJQQQFIOXRU_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOIBUTCHO
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RWXBAXNFTXQJAY-UHFFFAOYSA-N
Hvpx_RWXBAXNFTXQJAY_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RWXBAXNFTXQJAY_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RWXBAXNFTXQJAY_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MBOBCO
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YDXYYBJRCIQQSF-UHFFFAOYSA-N
Hvpx_YDXYYBJRCIQQSF_UHFFFAOYSA_N =  7.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YDXYYBJRCIQQSF_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YDXYYBJRCIQQSF_UHFFFAOYSA_N =  3.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PROL1MCHO
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MEHIGMLPKIJWEA-UHFFFAOYSA-N
Hvpx_MEHIGMLPKIJWEA_UHFFFAOYSA_N =  9.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MEHIGMLPKIJWEA_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MEHIGMLPKIJWEA_UHFFFAOYSA_N =  7.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  hexanal
! formula:  C_5H_{11}CHO
! trivial:  
! casrn:    66-25-1
! inchikey: JARKCYVAAOWBJS-UHFFFAOYSA-N
Hvpx______66_25_1 =  1.2E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______66_25_1 =  2.4E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3507
Hvpx______66_25_1 =  1.9E+01 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3508
Hvpx______66_25_1 =  1.2E+01                                  ! [atm] type: M, ref: 3671
Hvpx______66_25_1 =  1.7E+01                                  ! [atm] type: M, ref: 1922
Hvpx______66_25_1 =  3.4E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3650
Hvpx______66_25_1 =  2.0E+01                                  ! [atm] type: M, ref: 3643
Hvpx______66_25_1 =  2.5E+01                                  ! [atm] type: M, ref: 3670
Hvpx______66_25_1 =  3.3E+01                                  ! [atm] type: M, ref: 3611
Hvpx______66_25_1 =  1.1E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 630
Hvpx______66_25_1 =  1.2E+01                                  ! [atm] type: M, ref: 754
Hvpx______66_25_1 =  9.3E+00                                  ! [atm] type: M, ref: 3075
Hvpx______66_25_1 =  1.5E+01                                  ! [atm] type: V, ref: 2388
Hvpx______66_25_1 =  1.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______66_25_1 =  1.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______66_25_1 =  1.1E+01                                  ! [atm] type: C, ref: 3135
Hvpx______66_25_1 =  1.2E+01                                  ! [atm] type: C, ref: 3650
Hvpx______66_25_1 =  1.7E+01                                  ! [atm] type: C, ref: 3644
Hvpx______66_25_1 =  1.3E+01                                  ! [atm] type: Q, ref: 3682
Hvpx______66_25_1 =  1.8E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______66_25_1 =  5.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______66_25_1 =  1.2E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______66_25_1 =  9.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______66_25_1 =  9.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______66_25_1 =  1.2E+01                                  ! [atm] type: Q, ref: 3689
Hvpx______66_25_1 =  1.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______66_25_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______66_25_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______66_25_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______66_25_1 =  1.9E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______66_25_1 =  9.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______66_25_1 =  5.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______66_25_1 =  4.8E+01                                  ! [atm] type: Q, ref: 2600
Hvpx______66_25_1 =  1.2E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______66_25_1 =  2.1E+01                                  ! [atm] type: Q, ref: 3731
Hvpx______66_25_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2543
Hvpx______66_25_1 =  1.1E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______66_25_1 =  9.4E+00                                  ! [atm] type: Q, ref: 984
Hvpx______66_25_1 =  1.2E+01                                  ! [atm] type: Q, ref: 1162
Hvpx______66_25_1 =  1.2E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______66_25_1 =  1.2E+01                                  ! [atm] type: ?, ref: 2613
Hvpx______66_25_1 =  1.4E+01                                  ! [atm] type: ?, ref: 2440
Hvpx______66_25_1 =  2.8E+01                                  ! [atm] type: ?, ref: 789
Hvpx______66_25_1 =  1.2E+01                                  ! [atm] type: ?, ref: 1500

! species:  pentanedial
! formula:  OHC(CH_2)_3CHO
! trivial:  glutaraldehyde
! casrn:    111-30-8
! inchikey: SXRSQZLOMIGNAQ-UHFFFAOYSA-N
Hvpx_____111_30_8 =  1.8E-03 * EXP(  -9200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1110
Hvpx_____111_30_8 =  1.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  2-methylpentanal
! formula:  C_6H_{12}O
! trivial:  2-methylvaleraldehyde
! casrn:    123-15-9
! inchikey: FTZILAQGHINQQR-UHFFFAOYSA-N
Hvpx_____123_15_9 =  1.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_15_9 =  9.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_15_9 =  1.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_15_9 =  2.0E+01                                  ! [atm] type: Q, ref: 3088

! species:  hexanedial
! formula:  C_6H_{10}O_2
! trivial:  adipaldehyde
! casrn:    1072-21-5
! inchikey: UMHJEEQLYBKSAN-UHFFFAOYSA-N
Hvpx____1072_21_5 =  1.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____1072_21_5 =  3.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx____1072_21_5 =  1.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M22C3CHO
! formula:  C_6H_{12}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: LTNUSYNQZJZUSY-UHFFFAOYSA-N
Hvpx_LTNUSYNQZJZUSY_UHFFFAOYSA_N =  1.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_LTNUSYNQZJZUSY_UHFFFAOYSA_N =  8.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_LTNUSYNQZJZUSY_UHFFFAOYSA_N =  1.8E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2C43CHO
! formula:  C_6H_{12}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: AKUUEDVRXOZTBF-UHFFFAOYSA-N
Hvpx_AKUUEDVRXOZTBF_UHFFFAOYSA_N =  8.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_AKUUEDVRXOZTBF_UHFFFAOYSA_N =  9.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_AKUUEDVRXOZTBF_UHFFFAOYSA_N =  1.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M33C3CHO
! formula:  C_6H_{12}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: QYPLKDUOPJZROX-UHFFFAOYSA-N
Hvpx_QYPLKDUOPJZROX_UHFFFAOYSA_N =  1.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_QYPLKDUOPJZROX_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_QYPLKDUOPJZROX_UHFFFAOYSA_N =  2.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  3-methylpentanal
! formula:  C_6H_{12}O
! trivial:  
! casrn:    15877-57-3
! inchikey: YJWJGLQYQJGEEP-UHFFFAOYSA-N
Hvpx___15877_57_3 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15877_57_3 =  1.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx___15877_57_3 =  7.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx___15877_57_3 =  1.2E+01                                  ! [atm] type: Q, ref: 3409
Hvpx___15877_57_3 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  4-methylpentanal
! formula:  C_6H_{12}O
! trivial:  
! casrn:    1119-16-0
! inchikey: JGEGJYXHCFUMJF-UHFFFAOYSA-N
Hvpx____1119_16_0 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1119_16_0 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  2-ethylbutanal
! formula:  C_6H_{12}O
! trivial:  
! casrn:    97-96-1
! inchikey: UNNGUFMVYQJGTD-UHFFFAOYSA-N
Hvpx______97_96_1 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______97_96_1 =  1.5E+01                                  ! [atm] type: Q, ref: 3682

! species:  MCM:C518CHO
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XEAYIEUKFACAKS-UHFFFAOYSA-N
Hvpx_XEAYIEUKFACAKS_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_XEAYIEUKFACAKS_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_XEAYIEUKFACAKS_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C615OH
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LOUHJSYYTNSRBN-UHFFFAOYSA-N
Hvpx_LOUHJSYYTNSRBN_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LOUHJSYYTNSRBN_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LOUHJSYYTNSRBN_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C623OH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ASGSKBSLHTVURJ-UHFFFAOYSA-N
Hvpx_ASGSKBSLHTVURJ_UHFFFAOYSA_N =  1.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ASGSKBSLHTVURJ_UHFFFAOYSA_N =  8.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ASGSKBSLHTVURJ_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C67OH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SIBVVDHXFPINCX-UHFFFAOYSA-N
Hvpx_SIBVVDHXFPINCX_UHFFFAOYSA_N =  4.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SIBVVDHXFPINCX_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SIBVVDHXFPINCX_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C68OH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RJKLRJTWLKKQSE-UHFFFAOYSA-N
Hvpx_RJKLRJTWLKKQSE_UHFFFAOYSA_N =  4.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RJKLRJTWLKKQSE_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RJKLRJTWLKKQSE_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6DIALOH
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GATFIJYWERJMGU-UHFFFAOYSA-N
Hvpx_GATFIJYWERJMGU_UHFFFAOYSA_N =  4.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GATFIJYWERJMGU_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GATFIJYWERJMGU_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO1C6OH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FPFTWHJPEMPAGE-UHFFFAOYSA-N
Hvpx_FPFTWHJPEMPAGE_UHFFFAOYSA_N =  4.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FPFTWHJPEMPAGE_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FPFTWHJPEMPAGE_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO1H63OH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: TWSXDPXQZVBPJU-UHFFFAOYSA-N
Hvpx_TWSXDPXQZVBPJU_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_TWSXDPXQZVBPJU_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_TWSXDPXQZVBPJU_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M2C4CHO
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: NEJZWIVQOAKZHY-UHFFFAOYSA-N
Hvpx_NEJZWIVQOAKZHY_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NEJZWIVQOAKZHY_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NEJZWIVQOAKZHY_UHFFFAOYSA_N =  2.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M3C4CHO
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GUXDGBBNSMURMG-UHFFFAOYSA-N
Hvpx_GUXDGBBNSMURMG_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GUXDGBBNSMURMG_UHFFFAOYSA_N =  3.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GUXDGBBNSMURMG_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3M3C4CHO
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HKXRCBUXVFAKDA-UHFFFAOYSA-N
Hvpx_HKXRCBUXVFAKDA_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HKXRCBUXVFAKDA_UHFFFAOYSA_N =  9.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HKXRCBUXVFAKDA_UHFFFAOYSA_N =  4.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM22C3CHO
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VOISQCUJWIZDHK-UHFFFAOYSA-N
Hvpx_VOISQCUJWIZDHK_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VOISQCUJWIZDHK_UHFFFAOYSA_N =  4.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VOISQCUJWIZDHK_UHFFFAOYSA_N =  9.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM2C43CHO
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: QQZFDCJFBSAIBQ-UHFFFAOYSA-N
Hvpx_QQZFDCJFBSAIBQ_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QQZFDCJFBSAIBQ_UHFFFAOYSA_N =  3.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QQZFDCJFBSAIBQ_UHFFFAOYSA_N =  3.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM33C3CHO
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: YHMMFPKTSXQULG-UHFFFAOYSA-N
Hvpx_YHMMFPKTSXQULG_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YHMMFPKTSXQULG_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YHMMFPKTSXQULG_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C54CHO
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZHZOUKIXPREHLS-UHFFFAOYSA-N
Hvpx_ZHZOUKIXPREHLS_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZHZOUKIXPREHLS_UHFFFAOYSA_N =  4.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZHZOUKIXPREHLS_UHFFFAOYSA_N =  4.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C5CHO
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HAPLZPWSLJPZBM-UHFFFAOYSA-N
Hvpx_HAPLZPWSLJPZBM_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HAPLZPWSLJPZBM_UHFFFAOYSA_N =  3.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HAPLZPWSLJPZBM_UHFFFAOYSA_N =  4.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO5C5CHO
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BRZMRZVKWQWYPJ-UHFFFAOYSA-N
Hvpx_BRZMRZVKWQWYPJ_UHFFFAOYSA_N =  7.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BRZMRZVKWQWYPJ_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BRZMRZVKWQWYPJ_UHFFFAOYSA_N =  5.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  heptanal
! formula:  C_6H_{13}CHO
! trivial:  
! casrn:    111-71-7
! inchikey: FXHGMKSSBGDXIY-UHFFFAOYSA-N
Hvpx_____111_71_7 =  1.6E+01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____111_71_7 =  1.5E+01                                  ! [atm] type: M, ref: 3671
Hvpx_____111_71_7 =  2.7E+01                                  ! [atm] type: M, ref: 3643
Hvpx_____111_71_7 =  2.9E+01                                  ! [atm] type: M, ref: 3670
Hvpx_____111_71_7 =  5.0E+01                                  ! [atm] type: M, ref: 3611
Hvpx_____111_71_7 =  1.7E+01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 630
Hvpx_____111_71_7 =  1.5E+01                                  ! [atm] type: M, ref: 754
Hvpx_____111_71_7 =  9.1E+00                                  ! [atm] type: M, ref: 3075
Hvpx_____111_71_7 =  1.0E+01                                  ! [atm] type: V, ref: 2388
Hvpx_____111_71_7 =  2.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_71_7 =  2.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_71_7 =  1.5E+01                                  ! [atm] type: C, ref: 3135
Hvpx_____111_71_7 =  1.8E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____111_71_7 =  1.0E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____111_71_7 =  5.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_71_7 =  1.5E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_71_7 =  1.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_71_7 =  2.2E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_71_7 =  1.5E+01                                  ! [atm] type: Q, ref: 3689
Hvpx_____111_71_7 =  1.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____111_71_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_71_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_71_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_71_7 =  2.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____111_71_7 =  1.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_71_7 =  6.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_71_7 =  1.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_71_7 =  2.5E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____111_71_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_71_7 =  1.2E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_71_7 =  1.2E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____111_71_7 =  1.5E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____111_71_7 =  1.5E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____111_71_7 =  1.9E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_71_7 =  2.4E+01                                  ! [atm] type: ?, ref: 789
Hvpx_____111_71_7 =  1.5E+01                                  ! [atm] type: ?, ref: 1500

! species:  MCM:C622CHO
! formula:  C_7H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JWVBPJJNIHELFZ-UHFFFAOYSA-N
Hvpx_JWVBPJJNIHELFZ_UHFFFAOYSA_N =  9.4E-05 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_JWVBPJJNIHELFZ_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JWVBPJJNIHELFZ_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JWVBPJJNIHELFZ_UHFFFAOYSA_N =  7.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C624CHO
! formula:  C_7H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: AIMYSSDKEKDSEU-UHFFFAOYSA-N
Hvpx_AIMYSSDKEKDSEU_UHFFFAOYSA_N =  9.4E-05 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_AIMYSSDKEKDSEU_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AIMYSSDKEKDSEU_UHFFFAOYSA_N =  4.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AIMYSSDKEKDSEU_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C728OH
! formula:  C_7H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RQDWEXZQVQBWBC-UHFFFAOYSA-N
Hvpx_RQDWEXZQVQBWBC_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RQDWEXZQVQBWBC_UHFFFAOYSA_N =  4.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RQDWEXZQVQBWBC_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C730OH
! formula:  C_7H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ROYLBPWMPALPRM-UHFFFAOYSA-N
Hvpx_ROYLBPWMPALPRM_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ROYLBPWMPALPRM_UHFFFAOYSA_N =  1.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ROYLBPWMPALPRM_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3M3C5CHO
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PUMVOOYIPAYIQQ-UHFFFAOYSA-N
Hvpx_PUMVOOYIPAYIQQ_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PUMVOOYIPAYIQQ_UHFFFAOYSA_N =  4.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PUMVOOYIPAYIQQ_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  octanal
! formula:  C_7H_{15}CHO
! trivial:  
! casrn:    124-13-0
! inchikey: NUJGJRNETVAIRJ-UHFFFAOYSA-N
Hvpx_____124_13_0 =  2.7E+01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____124_13_0 =  2.6E+01                                  ! [atm] type: M, ref: 3643
Hvpx_____124_13_0 =  2.9E+01                                  ! [atm] type: M, ref: 3670
Hvpx_____124_13_0 =  6.2E+01                                  ! [atm] type: M, ref: 3611
Hvpx_____124_13_0 =  2.6E+01                                  ! [atm] type: M, ref: 2457
Hvpx_____124_13_0 =  2.6E+01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: M, ref: 630
Hvpx_____124_13_0 =  2.8E+01                                  ! [atm] type: M, ref: 754
Hvpx_____124_13_0 =  7.3E+00                                  ! [atm] type: M, ref: 3075
Hvpx_____124_13_0 =  1.9E+01                                  ! [atm] type: V, ref: 2388
Hvpx_____124_13_0 =  4.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____124_13_0 =  4.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____124_13_0 =  2.8E+01                                  ! [atm] type: C, ref: 3135
Hvpx_____124_13_0 =  2.9E+01                                  ! [atm] type: C, ref: 3644
Hvpx_____124_13_0 =  1.9E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____124_13_0 =  7.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____124_13_0 =  5.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____124_13_0 =  2.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____124_13_0 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_13_0 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_13_0 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_13_0 =  3.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____124_13_0 =  1.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____124_13_0 =  7.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____124_13_0 =  1.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____124_13_0 =  2.7E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____124_13_0 =  1.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____124_13_0 =  1.2E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____124_13_0 =  1.5E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____124_13_0 =  2.0E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____124_13_0 =  2.8E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____124_13_0 =  3.0E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____124_13_0 =  2.7E-01                                  ! [atm] type: ?, ref: 789
Hvpx_____124_13_0 =  2.8E+01                                  ! [atm] type: ?, ref: 1500

! species:  2-ethylhexanal
! formula:  C_8H_{16}O
! trivial:  
! casrn:    123-05-7
! inchikey: LGYNIFWIKSEESD-UHFFFAOYSA-N
Hvpx_____123_05_7 =  4.7E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____123_05_7 =  4.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____123_05_7 =  4.6E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____123_05_7 =  2.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_05_7 =  2.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_05_7 =  2.7E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____123_05_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_05_7 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_05_7 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_05_7 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_05_7 =  2.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____123_05_7 =  2.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_05_7 =  2.3E+01                                  ! [atm] type: Q, ref: 2530

! species:  MCM:C729CHO
! formula:  C_8H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MEGRLTONSLAOOM-UHFFFAOYSA-N
Hvpx_MEGRLTONSLAOOM_UHFFFAOYSA_N =  6.8E-04 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_MEGRLTONSLAOOM_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MEGRLTONSLAOOM_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MEGRLTONSLAOOM_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C810OH
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WBGXLUPQADVOIR-UHFFFAOYSA-N
Hvpx_WBGXLUPQADVOIR_UHFFFAOYSA_N =  8.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WBGXLUPQADVOIR_UHFFFAOYSA_N =  3.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WBGXLUPQADVOIR_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C822OH
! formula:  C_8H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CCTLWIOCAVSPLW-UHFFFAOYSA-N
Hvpx_CCTLWIOCAVSPLW_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CCTLWIOCAVSPLW_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CCTLWIOCAVSPLW_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C824OH
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RBBQERVBTKJTLF-UHFFFAOYSA-N
Hvpx_RBBQERVBTKJTLF_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RBBQERVBTKJTLF_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RBBQERVBTKJTLF_UHFFFAOYSA_N =  4.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C826OH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LLAUXDLXTPQIPI-UHFFFAOYSA-N
Hvpx_LLAUXDLXTPQIPI_UHFFFAOYSA_N =  7.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LLAUXDLXTPQIPI_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LLAUXDLXTPQIPI_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C830OH
! formula:  C_8H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: KODLEZWYEGWLGP-UHFFFAOYSA-N
Hvpx_KODLEZWYEGWLGP_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KODLEZWYEGWLGP_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KODLEZWYEGWLGP_UHFFFAOYSA_N =  8.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C831OH
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YTEDFRLZFCPFBH-UHFFFAOYSA-N
Hvpx_YTEDFRLZFCPFBH_UHFFFAOYSA_N =  8.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YTEDFRLZFCPFBH_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YTEDFRLZFCPFBH_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C89OH
! formula:  C_8H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: KMZPPEYMMZMCIQ-UHFFFAOYSA-N
Hvpx_KMZPPEYMMZMCIQ_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KMZPPEYMMZMCIQ_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KMZPPEYMMZMCIQ_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  nonanal
! formula:  C_8H_{17}CHO
! trivial:  
! casrn:    124-19-6
! inchikey: GYHFUZHODSMOHU-UHFFFAOYSA-N
Hvpx_____124_19_6 =  4.9E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____124_19_6 =  5.4E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 630
Hvpx_____124_19_6 =  4.1E+01                                  ! [atm] type: M, ref: 754
Hvpx_____124_19_6 =  7.7E+00                                  ! [atm] type: M, ref: 3075
Hvpx_____124_19_6 =  4.2E+01                                  ! [atm] type: V, ref: 2388
Hvpx_____124_19_6 =  5.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____124_19_6 =  5.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____124_19_6 =  4.0E+01                                  ! [atm] type: C, ref: 3135
Hvpx_____124_19_6 =  3.0E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____124_19_6 =  5.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____124_19_6 =  5.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____124_19_6 =  3.0E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____124_19_6 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_19_6 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_19_6 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_19_6 =  5.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____124_19_6 =  2.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____124_19_6 =  9.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____124_19_6 =  4.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____124_19_6 =  3.1E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____124_19_6 =  2.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____124_19_6 =  2.0E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____124_19_6 =  2.6E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____124_19_6 =  2.7E+01                                  ! [atm] type: Q, ref: 1145
Hvpx_____124_19_6 =  4.1E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____124_19_6 =  3.6E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____124_19_6 =  7.9E+01                                  ! [atm] type: ?, ref: 789
Hvpx_____124_19_6 =  4.1E+01                                  ! [atm] type: ?, ref: 1500

! species:  3,5,5-trimethylhexanal
! formula:  C_9H_{18}O
! trivial:  
! casrn:    5435-64-3
! inchikey: WTPYRCJDOZVZON-UHFFFAOYSA-N
Hvpx____5435_64_3 =  2.7E+01                                  ! [atm] type: Q, ref: 3088

! species:  decanal
! formula:  C_9H_{19}CHO
! trivial:  
! casrn:    112-31-2
! inchikey: KSMVZQYAVGTKIV-UHFFFAOYSA-N
Hvpx_____112_31_2 =  8.7E+01 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____112_31_2 =  1.3E+02                                  ! [atm] type: M, ref: 2955
Hvpx_____112_31_2 =  9.1E+01 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: M, ref: 630
Hvpx_____112_31_2 =  3.2E+00                                  ! [atm] type: M, ref: 3075
Hvpx_____112_31_2 =  4.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_31_2 =  4.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_31_2 =  9.9E+01                                  ! [atm] type: C, ref: 3135
Hvpx_____112_31_2 =  2.9E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____112_31_2 =  3.1E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____112_31_2 =  5.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____112_31_2 =  2.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____112_31_2 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_31_2 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_31_2 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_31_2 =  6.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____112_31_2 =  2.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_31_2 =  1.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____112_31_2 =  9.8E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____112_31_2 =  1.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____112_31_2 =  1.0E+02                                  ! [atm] type: ?, ref: 3586

! species:  MCM:C918CHO
! formula:  C_{10}H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GWMMOZICECYZLL-UHFFFAOYSA-N
Hvpx_GWMMOZICECYZLL_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GWMMOZICECYZLL_UHFFFAOYSA_N =  5.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GWMMOZICECYZLL_UHFFFAOYSA_N =  3.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  hydroxycitronellal
! formula:  C_{10}H_{20}O_2
! trivial:  
! casrn:    107-75-5
! inchikey: WPFVBOQKRVRMJB-UHFFFAOYSA-N
Hvpx_____107_75_5 =  5.8E-04                                  ! [atm] type: Q, ref: 3682

! species:  undecanal
! formula:  C_{11}H_{22}O
! trivial:  
! casrn:    112-44-7
! inchikey: KMPQYAYAQWNLME-UHFFFAOYSA-N
Hvpx_____112_44_7 =  7.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_44_7 =  7.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_44_7 =  3.6E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____112_44_7 =  2.5E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____112_44_7 =  7.9E+01                                  ! [atm] type: Q, ref: 3579

! species:  dodecanal
! formula:  C_{12}H_{24}O
! trivial:  
! casrn:    112-54-9
! inchikey: HFJRKMMYBMWEAD-UHFFFAOYSA-N
Hvpx_____112_54_9 =  1.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_54_9 =  1.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_54_9 =  4.5E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____112_54_9 =  2.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____112_54_9 =  8.9E+01                                  ! [atm] type: Q, ref: 3579

! species:  1-tridecanal
! formula:  C_{13}H_{26}O
! trivial:  
! casrn:    10486-19-8
! inchikey: BGEHHAVMRVXCGR-UHFFFAOYSA-N
Hvpx___10486_19_8 =  9.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___10486_19_8 =  9.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___10486_19_8 =  5.7E+01                                  ! [atm] type: Q, ref: 3682
Hvpx___10486_19_8 =  2.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___10486_19_8 =  9.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  1-tetradecanal
! formula:  C_{14}H_{28}O
! trivial:  
! casrn:    124-25-4
! inchikey: UHUFTBALEZWWIH-UHFFFAOYSA-N
Hvpx_____124_25_4 =  6.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____124_25_4 =  8.8E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____124_25_4 =  2.1E+02                                  ! [atm] type: Q, ref: 3406

! species:  aquaflora
! formula:  C_{12}H_{18}O
! trivial:  
! casrn:    1339119-15-1
! inchikey: BFTAXJRKNXWMMX-UHFFFAOYSA-N
Hvpx_1339119_15_1 =  1.1E+00                                  ! [atm] type: Q, ref: 3682

! species:  starfleur
! formula:  C_{13}H_{24}O
! trivial:  3-(4-isobutylcyclohexyl)propanal
! casrn:    1254940-85-6
! inchikey: XUTZHJNXAOHUTM-UHFFFAOYSA-N
Hvpx_1254940_85_6 =  4.0E+00                                  ! [atm] type: Q, ref: 3682

! species:  MCM:C126CO
! formula:  C_{12}H_{18}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: IWMJDJFLMSAAES-UHFFFAOYSA-N
Hvpx_IWMJDJFLMSAAES_UHFFFAOYSA_N =  6.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IWMJDJFLMSAAES_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IWMJDJFLMSAAES_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C126OH
! formula:  C_{12}H_{20}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PQYIIYBUHROKIY-UHFFFAOYSA-N
Hvpx_PQYIIYBUHROKIY_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PQYIIYBUHROKIY_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PQYIIYBUHROKIY_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C127OH
! formula:  C_{12}H_{20}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QHKXYVNBHFONML-UHFFFAOYSA-N
Hvpx_QHKXYVNBHFONML_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QHKXYVNBHFONML_UHFFFAOYSA_N =  7.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QHKXYVNBHFONML_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C126CHO
! formula:  C_{13}H_{20}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZDIXDRBTLRZYNM-UHFFFAOYSA-N
Hvpx_ZDIXDRBTLRZYNM_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDIXDRBTLRZYNM_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDIXDRBTLRZYNM_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1311OH
! formula:  C_{13}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CBUCUSJJCJUTML-UHFFFAOYSA-N
Hvpx_CBUCUSJJCJUTML_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CBUCUSJJCJUTML_UHFFFAOYSA_N =  6.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CBUCUSJJCJUTML_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1313OH
! formula:  C_{13}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XIWFBNXBOAYHAJ-UHFFFAOYSA-N
Hvpx_XIWFBNXBOAYHAJ_UHFFFAOYSA_N =  7.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XIWFBNXBOAYHAJ_UHFFFAOYSA_N =  1.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XIWFBNXBOAYHAJ_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C136OH
! formula:  C_{13}H_{22}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GEHGNVSPJQGFQG-UHFFFAOYSA-N
Hvpx_GEHGNVSPJQGFQG_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GEHGNVSPJQGFQG_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GEHGNVSPJQGFQG_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  propenal
! formula:  CH_2CHCHO
! trivial:  acrolein
! casrn:    107-02-8
! inchikey: HGINCPLSRVDWNT-UHFFFAOYSA-N
Hvpx_____107_02_8 =  4.1E+00 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____107_02_8 =  7.6E+00 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____107_02_8 =  7.6E+00 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 483
Hvpx_____107_02_8 =  5.4E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____107_02_8 =  2.4E-01                                  ! [atm] type: V, ref: 477
Hvpx_____107_02_8 =  5.4E+01                                  ! [atm] type: V, ref: 636
Hvpx_____107_02_8 =  7.8E+00                                  ! [atm] type: V, ref: 2439
Hvpx_____107_02_8 =  4.2E+00                                  ! [atm] type: V, ref: 1157
Hvpx_____107_02_8 =  5.3E+00 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____107_02_8 =  2.4E-01                                  ! [atm] type: X, ref: howard89
Hvpx_____107_02_8 =  6.7E+00                                  ! [atm] type: X, ref: gaffney84
Hvpx_____107_02_8 =  3.0E+00                                  ! [atm] type: C, ref: 1157
Hvpx_____107_02_8 =  3.8E+00                                  ! [atm] type: C, ref: 2235
Hvpx_____107_02_8 =  4.5E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_02_8 =  1.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_02_8 =  2.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_02_8 =  2.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_02_8 =  2.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_02_8 =  1.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____107_02_8 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_02_8 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_02_8 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_02_8 =  5.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_02_8 =  8.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_02_8 =  6.8E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____107_02_8 =  7.3E+00                                  ! [atm] type: ?, ref: 2613
Hvpx_____107_02_8 =  4.5E+00                                  ! [atm] type: ?, ref: 2440

! species:  2-methylpropenal
! formula:  C_4H_6O
! trivial:  methacrolein
! casrn:    78-85-3
! inchikey: STNJBCKSHOAVAJ-UHFFFAOYSA-N
Hvpx______78_85_3 =  1.2E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______78_85_3 =  8.5E+00                                  ! [atm] type: L, ref: 3245
Hvpx______78_85_3 =  1.2E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______78_85_3 =  1.1E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2524
Hvpx______78_85_3 =  8.5E+00                                  ! [atm] type: M, ref: 1004
Hvpx______78_85_3 =  1.3E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 985
Hvpx______78_85_3 =  1.1E+01                                  ! [atm] type: V, ref: 3088
Hvpx______78_85_3 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_85_3 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_85_3 =  7.5E+00                                  ! [atm] type: Q, ref: 3682
Hvpx______78_85_3 =  3.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______78_85_3 =  4.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______78_85_3 =  3.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______78_85_3 =  3.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______78_85_3 =  6.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______78_85_3 =  3.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx______78_85_3 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______78_85_3 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______78_85_3 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______78_85_3 =  1.2E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______78_85_3 =  5.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______78_85_3 =  4.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______78_85_3 =  1.3E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______78_85_3 =  1.1E+01                                  ! [atm] type: ?, ref: 2440

! species:  2-butenal
! formula:  CH_3CHCHCHO
! trivial:  crotonaldehyde
! casrn:    4170-30-3
! inchikey: MLUCVPSAIODCQM-UHFFFAOYSA-N
Hvpx____4170_30_3 =  9.3E-01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx____4170_30_3 =  1.1E+00                                  ! [atm] type: X, ref: gaffney84
Hvpx____4170_30_3 =  1.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____4170_30_3 =  3.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____4170_30_3 =  3.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____4170_30_3 =  5.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx____4170_30_3 =  1.4E+00                                  ! [atm] type: Q, ref: 2530

! species:  ($E$)-2-butenal
! formula:  CH_3CHCHCHO
! trivial:  {\it trans}-crotonaldehyde
! casrn:    123-73-9
! inchikey: MLUCVPSAIODCQM-NSCUHMNNSA-N
Hvpx_____123_73_9 =  1.0E+00 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____123_73_9 =  1.1E+00                                  ! [atm] type: M, ref: 755
Hvpx_____123_73_9 =  1.3E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____123_73_9 =  1.3E+01                                  ! [atm] type: V, ref: 636
Hvpx_____123_73_9 =  7.1E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_73_9 =  3.8E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____123_73_9 =  3.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____123_73_9 =  4.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_73_9 =  1.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_73_9 =  1.1E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____123_73_9 =  2.0E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____123_73_9 =  1.7E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____123_73_9 =  1.1E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____123_73_9 =  9.3E-01                                  ! [atm] type: ?, ref: 2440
Hvpx_____123_73_9 =  1.1E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-hexenal
! formula:  C_3H_7CHCHCHO
! trivial:  
! casrn:    505-57-7
! inchikey: MBDOYVRWFFCFHM-UHFFFAOYSA-N
Hvpx_____505_57_7 =  1.8E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____505_57_7 =  4.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____505_57_7 =  8.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____505_57_7 =  2.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____505_57_7 =  6.3E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____505_57_7 =  2.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  ($E$)-2-hexenal
! formula:  C_3H_7CHCHCHO
! trivial:  {\it trans}-2-hexenal
! casrn:    6728-26-3
! inchikey: MBDOYVRWFFCFHM-SNAWJCMRSA-N
Hvpx____6728_26_3 =  3.8E+00                                  ! [atm] type: M, ref: 1922
Hvpx____6728_26_3 =  6.1E-01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3650
Hvpx____6728_26_3 =  2.7E+00                                  ! [atm] type: M, ref: 755
Hvpx____6728_26_3 =  2.7E+00                                  ! [atm] type: C, ref: 3650
Hvpx____6728_26_3 =  2.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx____6728_26_3 =  3.2E+00                                  ! [atm] type: Q, ref: 984
Hvpx____6728_26_3 =  3.0E+00                                  ! [atm] type: Q, ref: 1162

! species:  ($E$,$E$)-2,4-hexadienal
! formula:  CH_3CHCHCHCHCHO
! trivial:  {\it trans}-{\it trans}-2,4-hexadienal
! casrn:    142-83-6
! inchikey: BATOPAZDIZEVQF-MQQKCMAXSA-N
Hvpx_____142_83_6 =  5.4E-01                                  ! [atm] type: M, ref: 755
Hvpx_____142_83_6 =  1.8E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____142_83_6 =  3.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____142_83_6 =  1.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____142_83_6 =  1.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____142_83_6 =  3.7E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____142_83_6 =  5.4E-01                                  ! [atm] type: ?, ref: 3586

! species:  2-heptenal
! formula:  C_7H_{12}O
! trivial:  
! casrn:    2463-63-0
! inchikey: NDFKTBCGKNOHPJ-UHFFFAOYSA-N
Hvpx____2463_63_0 =  1.1E+01                                  ! [atm] type: Q, ref: 2521

! species:  ($E$)-2-heptenal
! formula:  C_7H_{12}O
! trivial:  {\it trans}-2-heptenal
! casrn:    18829-55-5
! inchikey: NDFKTBCGKNOHPJ-AATRIKPKSA-N
Hvpx___18829_55_5 =  4.2E-01                                  ! [atm] type: Q, ref: 3521

! species:  ($Z$)-4-heptenal
! formula:  C_7H_{12}O
! trivial:  {\it cis}-4-heptenal
! casrn:    6728-31-0
! inchikey: VVGOCOMZRGWHPI-ARJAWSKDSA-N
Hvpx____6728_31_0 =  6.2E+00                                  ! [atm] type: M, ref: 1937

! species:  2-octenal
! formula:  C_8H_{14}O
! trivial:  
! casrn:    2363-89-5
! inchikey: LVBXEMGDVWVTGY-UHFFFAOYSA-N
Hvpx____2363_89_5 =  7.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx____2363_89_5 =  4.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____2363_89_5 =  1.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx____2363_89_5 =  2.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx____2363_89_5 =  1.1E+01                                  ! [atm] type: Q, ref: 2543
Hvpx____2363_89_5 =  4.1E+00                                  ! [atm] type: ?, ref: 3586

! species:  ($E$)-2-octenal
! formula:  C_8H_{14}O
! trivial:  {\it trans}-2-octenal
! casrn:    2548-87-0
! inchikey: LVBXEMGDVWVTGY-VOTSOKGWSA-N
Hvpx____2548_87_0 =  4.1E+00                                  ! [atm] type: M, ref: 755
Hvpx____2548_87_0 =  4.0E+00                                  ! [atm] type: Q, ref: 2535
Hvpx____2548_87_0 =  5.3E+00                                  ! [atm] type: Q, ref: 984
Hvpx____2548_87_0 =  5.0E+00                                  ! [atm] type: Q, ref: 1162

! species:  2-ethyl-2-hexenal
! formula:  C_8H_{14}O
! trivial:  
! casrn:    645-62-5
! inchikey: PYLMCYQHBRSDND-UHFFFAOYSA-N
Hvpx_____645_62_5 =  1.0E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518

! species:  ($E$)-2-nonenal
! formula:  C_9H_{16}O
! trivial:  {\it trans}-2-nonenal
! casrn:    18829-56-6
! inchikey: BSAIUMLZVGUGKX-BQYQJAHWSA-N
Hvpx___18829_56_6 =  9.5E+00                                  ! [atm] type: M, ref: 2389

! species:  {\it trans}-2,{\it cis}-6-nonadienal
! formula:  C_9H_{14}O
! trivial:  
! casrn:    557-48-2
! inchikey: HZYHMHHBBBSGHB-ODYTWBPASA-N
Hvpx_____557_48_2 =  6.6E+00 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3303

! species:  3,7-dimethyl-6-octenal
! formula:  C_{10}H_{18}O
! trivial:  citronellal
! casrn:    106-23-0
! inchikey: NEHNMFOYXAPHSD-UHFFFAOYSA-N
Hvpx_____106_23_0 =  2.2E+01 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125
Hvpx_____106_23_0 =  1.4E+01                                  ! [atm] type: Q, ref: 3088

! species:  3,7-dimethyl-2,6-octadienal
! formula:  C_{10}H_{16}O
! trivial:  citral
! casrn:    5392-40-5
! inchikey: WTEVQBCEXWBHNA-UHFFFAOYSA-N
Hvpx____5392_40_5 =  1.9E+00 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3776
Hvpx____5392_40_5 =  1.1E-01                                  ! [atm] type: Q, ref: 3682
Hvpx____5392_40_5 =  2.4E+00                                  ! [atm] type: Q, ref: 3088

! species:  tillenal
! formula:  C_{11}H_{18}O
! trivial:  3-(4,4-dimethyl-1-cyclohexen-1-yl)propanal
! casrn:    850997-10-3
! inchikey: IHMKWBJKOWYASH-UHFFFAOYSA-N
Hvpx__850997_10_3 =  1.6E+00                                  ! [atm] type: Q, ref: 3682

! species:  lilybelle
! formula:  C_{12}H_{20}O
! trivial:  
! casrn:    1378867-81-2
! inchikey: VZZSYXAVGYODQG-UHFFFAOYSA-N
Hvpx_1378867_81_2 =  1.2E+00                                  ! [atm] type: Q, ref: 3682

! species:  mugoxal
! formula:  C_{13}H_{22}O
! trivial:  3-(4-{\it tert}-butylcyclohexen-1-yl)propanal
! casrn:    UNKNOWN
! inchikey: WGWWNPFQPHLSIM-UHFFFAOYSA-N
Hvpx_WGWWNPFQPHLSIM_UHFFFAOYSA_N =  8.2E-01                                  ! [atm] type: Q, ref: 3682

! species:  orange oil
! formula:  C_{15}H_{22}O
! trivial:  
! casrn:    8028-48-6
! inchikey: NOPLRNXKHZRXHT-UHFFFAOYSA-N
Hvpx____8028_48_6 =  8.6E+02                                  ! [atm] type: ?, ref: 3549

! species:  benzaldehyde
! formula:  C_6H_5CHO
! trivial:  
! casrn:    100-52-7
! inchikey: HUMNYLRZRPPJDN-UHFFFAOYSA-N
Hvpx_____100_52_7 =  1.4E+00 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____100_52_7 =  1.5E+00 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____100_52_7 =  1.4E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx_____100_52_7 =  1.7E+00 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2817
Hvpx_____100_52_7 =  1.6E+00                                  ! [atm] type: M, ref: 3671
Hvpx_____100_52_7 =  1.6E+00 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: M, ref: 985
Hvpx_____100_52_7 =  1.3E+00 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 630
Hvpx_____100_52_7 =  1.5E+00 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 484
Hvpx_____100_52_7 =  3.4E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____100_52_7 =  3.4E+00                                  ! [atm] type: V, ref: 636
Hvpx_____100_52_7 =  1.5E+00                                  ! [atm] type: V, ref: 642
Hvpx_____100_52_7 =  1.6E+00 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx_____100_52_7 =  1.4E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____100_52_7 =  1.5E+00                                  ! [atm] type: X, ref: gaffney84
Hvpx_____100_52_7 =  1.5E+00                                  ! [atm] type: C, ref: 2165
Hvpx_____100_52_7 =  6.5E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____100_52_7 =  1.0E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____100_52_7 =  8.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_52_7 =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____100_52_7 =  4.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____100_52_7 =  3.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____100_52_7 =  1.5E+00                                  ! [atm] type: Q, ref: 3689
Hvpx_____100_52_7 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_52_7 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_52_7 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_52_7 =  7.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_52_7 =  4.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_52_7 =  2.1E+01                                  ! [atm] type: Q, ref: 2597
Hvpx_____100_52_7 =  2.1E+01                                  ! [atm] type: Q, ref: 2599
Hvpx_____100_52_7 =  1.5E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____100_52_7 =  1.0E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____100_52_7 =  2.3E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____100_52_7 =  7.6E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____100_52_7 =  1.5E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____100_52_7 =  1.5E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____100_52_7 =  1.2E+00                                  ! [atm] type: ?, ref: 2613
Hvpx_____100_52_7 =  1.4E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____100_52_7 =  1.5E+00                                  ! [atm] type: ?, ref: 1500

! species:  phenylacetaldehyde
! formula:  C_6H_5CH_2CHO
! trivial:  
! casrn:    122-78-1
! inchikey: DTUQWGWMVIHBKE-UHFFFAOYSA-N
Hvpx_____122_78_1 =  3.3E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____122_78_1 =  1.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____122_78_1 =  1.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____122_78_1 =  1.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____122_78_1 =  5.3E+00                                  ! [atm] type: Q, ref: 2597
Hvpx_____122_78_1 =  5.3E+00                                  ! [atm] type: Q, ref: 2598

! species:  2-methylbenzaldehyde
! formula:  C_8H_8O
! trivial:  $o$-tolualdehyde
! casrn:    529-20-4
! inchikey: BTFQKIATRPGRBS-UHFFFAOYSA-N
Hvpx_____529_20_4 =  1.8E+00 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724
Hvpx_____529_20_4 =  2.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____529_20_4 =  3.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____529_20_4 =  6.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____529_20_4 =  1.7E+00                                  ! [atm] type: Q, ref: 3088

! species:  3-methylbenzaldehyde
! formula:  C_8H_8O
! trivial:  $m$-tolualdehyde
! casrn:    620-23-5
! inchikey: OVWYEQOVUDKZNU-UHFFFAOYSA-N
Hvpx_____620_23_5 =  1.6E+00 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____620_23_5 =  1.8E+00 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3776
Hvpx_____620_23_5 =  1.6E+00 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724
Hvpx_____620_23_5 =  2.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____620_23_5 =  4.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____620_23_5 =  3.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____620_23_5 =  1.7E+00                                  ! [atm] type: Q, ref: 3088

! species:  4-methylbenzaldehyde
! formula:  C_8H_8O
! trivial:  $p$-tolualdehyde
! casrn:    104-87-0
! inchikey: FXLOVSHXALFLKQ-UHFFFAOYSA-N
Hvpx_____104_87_0 =  1.0E+00 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____104_87_0 =  1.2E+00 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3776
Hvpx_____104_87_0 =  1.0E+00 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724
Hvpx_____104_87_0 =  9.6E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____104_87_0 =  9.4E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____104_87_0 =  1.0E+00                                  ! [atm] type: R, ref: 1501
Hvpx_____104_87_0 =  1.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____104_87_0 =  2.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____104_87_0 =  4.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____104_87_0 =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____104_87_0 =  6.9E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____104_87_0 =  1.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____104_87_0 =  1.1E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____104_87_0 =  8.3E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____104_87_0 =  1.1E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____104_87_0 =  9.7E-01                                  ! [atm] type: ?, ref: 2440

! species:  terephthaldialdehyde
! formula:  C_8H_6O_2
! trivial:  
! casrn:    623-27-8
! inchikey: KUCOHFSKRZZVRO-UHFFFAOYSA-N
Hvpx_____623_27_8 =  3.5E-02                                  ! [atm] type: Q, ref: 3627

! species:  2-hydroxybenzaldehyde
! formula:  C_6H_4(OH)CHO
! trivial:  2-formylphenol; salicylaldehyde
! casrn:    90-02-8
! inchikey: SMQUZDBALVYZAC-UHFFFAOYSA-N
Hvpx______90_02_8 =  5.0E-01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724
Hvpx______90_02_8 =  3.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx______90_02_8 =  1.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______90_02_8 =  1.3E-04                                  ! [atm] type: Q, ref: 3723
Hvpx______90_02_8 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______90_02_8 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______90_02_8 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______90_02_8 =  3.3E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______90_02_8 =  3.1E-01                                  ! [atm] type: ?, ref: 2440

! species:  3-hydroxybenzaldehyde
! formula:  C_6H_4(OH)CHO
! trivial:  3-formylphenol
! casrn:    100-83-4
! inchikey: IAVREABSGIHHMO-UHFFFAOYSA-N
Hvpx_____100_83_4 =  1.4E-04                                  ! [atm] type: X, ref: gaffney84
Hvpx_____100_83_4 =  5.7E-05                                  ! [atm] type: Q, ref: 3730
Hvpx_____100_83_4 =  3.0E-05                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_83_4 =  4.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_83_4 =  3.5E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_83_4 =  8.8E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_83_4 =  1.0E-04                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_83_4 =  7.0E-04                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_83_4 =  4.7E-04                                  ! [atm] type: Q, ref: 3764
Hvpx_____100_83_4 =  1.8E-05                                  ! [atm] type: Q, ref: 984
Hvpx_____100_83_4 =  1.4E-04                                  ! [atm] type: ?, ref: 3586
Hvpx_____100_83_4 =  1.5E-04                                  ! [atm] type: ?, ref: 1500

! species:  4-hydroxybenzaldehyde
! formula:  C_6H_4(OH)CHO
! trivial:  4-formylphenol
! casrn:    123-08-0
! inchikey: RGHHSNMVTDWUBI-UHFFFAOYSA-N
Hvpx_____123_08_0 =  2.8E-05 * EXP(  -8600.*(1./T-1./298.15)) ! [atm] type: T, ref: 724
Hvpx_____123_08_0 =  5.7E-05                                  ! [atm] type: Q, ref: 3730
Hvpx_____123_08_0 =  2.5E-05                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_08_0 =  4.6E-04                                  ! [atm] type: Q, ref: 3406
Hvpx_____123_08_0 =  4.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_08_0 =  2.2E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_08_0 =  8.8E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_08_0 =  6.2E-04                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_08_0 =  3.3E-04                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_08_0 =  1.8E-05                                  ! [atm] type: Q, ref: 984
Hvpx_____123_08_0 =  2.8E-05                                  ! [atm] type: ?, ref: 3586
Hvpx_____123_08_0 =  2.8E-05                                  ! [atm] type: ?, ref: 1500

! species:  2-methoxybenzaldehyde
! formula:  C_8H_8O_2
! trivial:  
! casrn:    135-02-4
! inchikey: PKZJLOCLABXVMC-UHFFFAOYSA-N
Hvpx_____135_02_4 =  5.4E-02 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724

! species:  3-methoxybenzaldehyde
! formula:  C_8H_8O_2
! trivial:  
! casrn:    591-31-1
! inchikey: WMPDAIZRQDCGFH-UHFFFAOYSA-N
Hvpx_____591_31_1 =  1.1E-01 * EXP(  -8800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724

! species:  4-methoxybenzaldehyde
! formula:  C_8H_8O_2
! trivial:  
! casrn:    123-11-5
! inchikey: ZRSNZINYAWTAHE-UHFFFAOYSA-N
Hvpx_____123_11_5 =  2.3E-02 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724

! species:  3-phenyl-2-propenal
! formula:  C_9H_8O
! trivial:  cinnamaldehyde
! casrn:    104-55-2
! inchikey: KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Hvpx_____104_55_2 =  1.9E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____104_55_2 =  3.9E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125

! species:  2,3-dimethylbenzaldehyde
! formula:  C_9H_{10}O
! trivial:  
! casrn:    5779-93-1
! inchikey: UIFVCPMLQXKEEU-UHFFFAOYSA-N
Hvpx____5779_93_1 =  4.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____5779_93_1 =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____5779_93_1 =  7.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  3,4-dimethylbenzaldehyde
! formula:  C_9H_{10}O
! trivial:  
! casrn:    5973-71-7
! inchikey: POQJHLBMLVTHAU-UHFFFAOYSA-N
Hvpx____5973_71_7 =  4.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____5973_71_7 =  3.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____5973_71_7 =  1.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  3,5-dimethylbenzaldehyde
! formula:  C_9H_{10}O
! trivial:  
! casrn:    5779-95-3
! inchikey: NBEFMISJJNGCIZ-UHFFFAOYSA-N
Hvpx____5779_95_3 =  4.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____5779_95_3 =  5.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____5779_95_3 =  2.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  2-naphthaldehyde
! formula:  C_{11}H_8O
! trivial:  
! casrn:    66-99-9
! inchikey: PJKVFARRVXDXAD-UHFFFAOYSA-N
Hvpx______66_99_9 =  9.2E-03                                  ! [atm] type: Q, ref: 3627

! species:  cyclemax
! formula:  C_{12}H_{16}O
! trivial:  4-(1-methylethyl)-benzenepropanal
! casrn:    7775-00-0
! inchikey: RLEFOSDUWZYGOS-UHFFFAOYSA-N
Hvpx____7775_00_0 =  7.0E-01                                  ! [atm] type: Q, ref: 3682

! species:  bourgeonal
! formula:  C_{13}H_{18}O
! trivial:  
! casrn:    18127-01-0
! inchikey: FZJUFJKVIYFBSY-UHFFFAOYSA-N
Hvpx___18127_01_0 =  4.8E-01                                  ! [atm] type: Q, ref: 3682

! species:  florhydral
! formula:  C_{13}H_{18}O
! trivial:  
! casrn:    125109-85-5
! inchikey: OHRBQTOZYGEWCJ-UHFFFAOYSA-N
Hvpx__125109_85_5 =  1.1E+00                                  ! [atm] type: Q, ref: 3682

! species:  cyclamen aldehyde
! formula:  C_{13}H_{18}O
! trivial:  
! casrn:    103-95-7
! inchikey: ZFNVDHOSLNRHNN-UHFFFAOYSA-N
Hvpx_____103_95_7 =  2.4E+00                                  ! [atm] type: Q, ref: 3682

! species:  mimosal
! formula:  C_{13}H_{16}O
! trivial:  4-methyl-5-(4-methylphenyl)pent-4-enal
! casrn:    1226911-69-8
! inchikey: LBKHGAIELUNYML-ZRDIBKRKSA-N
Hvpx_1226911_69_8 =  1.1E-01                                  ! [atm] type: Q, ref: 3682

! species:  lilial
! formula:  C_{14}H_{20}O
! trivial:  
! casrn:    80-54-6
! inchikey: SDQFDHOLCGWZPU-UHFFFAOYSA-N
Hvpx______80_54_6 =  9.6E-01                                  ! [atm] type: Q, ref: 3682

! species:  hivernal
! formula:  C_{14}H_{18}O
! trivial:  
! casrn:    300371-33-9
! inchikey: GEPCDOWRWODJEY-UHFFFAOYSA-N
Hvpx__300371_33_9 =  2.5E-01                                  ! [atm] type: Q, ref: 3682

! species:  silvial
! formula:  C_{14}H_{20}O
! trivial:  
! casrn:    6658-48-6
! inchikey: YLIXVKUWWOQREC-UHFFFAOYSA-N
Hvpx____6658_48_6 =  1.9E+00                                  ! [atm] type: Q, ref: 3682

! species:  mefloral
! formula:  C_{14}H_{20}O
! trivial:  
! casrn:    62518-65-4
! inchikey: GLZRHVTZLDNUQP-UHFFFAOYSA-N
Hvpx___62518_65_4 =  1.7E+00                                  ! [atm] type: Q, ref: 3682

! species:  nympheal
! formula:  C_{14}H_{20}O
! trivial:  3-(4-isobutyl-2-methylphenyl)propanal
! casrn:    1637294-12-2
! inchikey: UKZXPOJABTXLMK-UHFFFAOYSA-N
Hvpx_1637294_12_2 =  6.7E-01                                  ! [atm] type: Q, ref: 3682

! species:  hexyl cinnamic aldehyde
! formula:  C_{15}H_{20}O
! trivial:  
! casrn:    101-86-0
! inchikey: GUUHFMWKWLOQMM-UHFFFAOYSA-N
Hvpx_____101_86_0 =  5.4E-01                                  ! [atm] type: Q, ref: 3682

! species:  $\alpha$-amyl cinnamaldehyde
! formula:  C_{14}H_{18}O
! trivial:  
! casrn:    122-40-7
! inchikey: HMKKIXGYKWDQSV-KAMYIIQDSA-N
Hvpx_____122_40_7 =  4.3E-01                                  ! [atm] type: Q, ref: 3088

! species:  MCM:HCOCH2CO3H
! formula:  C_3H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CFPRXLWZTODTLN-UHFFFAOYSA-N
Hvpx_CFPRXLWZTODTLN_UHFFFAOYSA_N =  6.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CFPRXLWZTODTLN_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CFPRXLWZTODTLN_UHFFFAOYSA_N =  1.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PROPALOOH
! formula:  C_3H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UTLVMFCPERHVKU-UHFFFAOYSA-N
Hvpx_UTLVMFCPERHVKU_UHFFFAOYSA_N =  7.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UTLVMFCPERHVKU_UHFFFAOYSA_N =  6.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UTLVMFCPERHVKU_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUTALAOOH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UBMPIIYSSVMXGT-UHFFFAOYSA-N
Hvpx_UBMPIIYSSVMXGT_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UBMPIIYSSVMXGT_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_UBMPIIYSSVMXGT_UHFFFAOYSA_N =  4.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUTALO2H
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HFNSAVKBHMZYBR-UHFFFAOYSA-N
Hvpx_HFNSAVKBHMZYBR_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HFNSAVKBHMZYBR_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HFNSAVKBHMZYBR_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3MDIALOOH
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WJWKLOFSCXWKQD-UHFFFAOYSA-N
Hvpx_WJWKLOFSCXWKQD_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WJWKLOFSCXWKQD_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WJWKLOFSCXWKQD_UHFFFAOYSA_N =  7.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOC2CO3H
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZCKJJZIUFVHIST-UHFFFAOYSA-N
Hvpx_ZCKJJZIUFVHIST_UHFFFAOYSA_N =  7.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZCKJJZIUFVHIST_UHFFFAOYSA_N =  5.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZCKJJZIUFVHIST_UHFFFAOYSA_N =  2.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IBUTALBO2H
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OSYMKIVGDGNGKG-UHFFFAOYSA-N
Hvpx_OSYMKIVGDGNGKG_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OSYMKIVGDGNGKG_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OSYMKIVGDGNGKG_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IBUTALO2H
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UINKREZTGVLFAU-UHFFFAOYSA-N
Hvpx_UINKREZTGVLFAU_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UINKREZTGVLFAU_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_UINKREZTGVLFAU_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MALDALCO3H
! formula:  C_4H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QFBRACYMKXGFRM-UHFFFAOYSA-N
Hvpx_QFBRACYMKXGFRM_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QFBRACYMKXGFRM_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QFBRACYMKXGFRM_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRPAL2CO3H
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IGHWWGZEWMXWCB-UHFFFAOYSA-N
Hvpx_IGHWWGZEWMXWCB_UHFFFAOYSA_N =  7.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IGHWWGZEWMXWCB_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IGHWWGZEWMXWCB_UHFFFAOYSA_N =  6.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3EDIALOOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IOKXWRCVGKGMQG-UHFFFAOYSA-N
Hvpx_IOKXWRCVGKGMQG_UHFFFAOYSA_N =  2.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IOKXWRCVGKGMQG_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IOKXWRCVGKGMQG_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3M3CHOOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FJYKIGXUSFRBER-UHFFFAOYSA-N
Hvpx_FJYKIGXUSFRBER_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FJYKIGXUSFRBER_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FJYKIGXUSFRBER_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4CHOAOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZCMMOPXACREGKB-UHFFFAOYSA-N
Hvpx_ZCMMOPXACREGKB_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZCMMOPXACREGKB_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZCMMOPXACREGKB_UHFFFAOYSA_N =  8.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4CHOBOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JELNOURJPXUYRE-UHFFFAOYSA-N
Hvpx_JELNOURJPXUYRE_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JELNOURJPXUYRE_UHFFFAOYSA_N =  3.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JELNOURJPXUYRE_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4CODBCO3H
! formula:  C_5H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JLZDPUBRQDSTHL-UHFFFAOYSA-N
Hvpx_JLZDPUBRQDSTHL_UHFFFAOYSA_N =  2.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JLZDPUBRQDSTHL_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JLZDPUBRQDSTHL_UHFFFAOYSA_N =  7.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C514OOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PUFIIBDSTKVRQR-UHFFFAOYSA-N
Hvpx_PUFIIBDSTKVRQR_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PUFIIBDSTKVRQR_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PUFIIBDSTKVRQR_UHFFFAOYSA_N =  8.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5DIALOOH
! formula:  C_5H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MJFLAVCETRHPDB-UHFFFAOYSA-N
Hvpx_MJFLAVCETRHPDB_UHFFFAOYSA_N =  3.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MJFLAVCETRHPDB_UHFFFAOYSA_N =  7.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MJFLAVCETRHPDB_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOC4OOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CTZAXNMAMSERLK-UHFFFAOYSA-N
Hvpx_CTZAXNMAMSERLK_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CTZAXNMAMSERLK_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CTZAXNMAMSERLK_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO1M22CO3H
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HHOOHNHNSGMLRV-UHFFFAOYSA-N
Hvpx_HHOOHNHNSGMLRV_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HHOOHNHNSGMLRV_UHFFFAOYSA_N =  6.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HHOOHNHNSGMLRV_UHFFFAOYSA_N =  6.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IC4CHOAOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MEJCTHPUJKQILI-UHFFFAOYSA-N
Hvpx_MEJCTHPUJKQILI_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MEJCTHPUJKQILI_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MEJCTHPUJKQILI_UHFFFAOYSA_N =  6.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC3ODBCO3H
! formula:  C_5H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UTZOYJZISPOIDM-UHFFFAOYSA-N
Hvpx_UTZOYJZISPOIDM_UHFFFAOYSA_N =  2.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UTZOYJZISPOIDM_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UTZOYJZISPOIDM_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C522CO3H
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NCACXMVSAKPDND-UHFFFAOYSA-N
Hvpx_NCACXMVSAKPDND_UHFFFAOYSA_N =  5.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NCACXMVSAKPDND_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NCACXMVSAKPDND_UHFFFAOYSA_N =  4.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C615OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XHCYBISQWAKVQU-UHFFFAOYSA-N
Hvpx_XHCYBISQWAKVQU_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XHCYBISQWAKVQU_UHFFFAOYSA_N =  2.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XHCYBISQWAKVQU_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6DIALOOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UGGYJIUZOSPDSO-UHFFFAOYSA-N
Hvpx_UGGYJIUZOSPDSO_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UGGYJIUZOSPDSO_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UGGYJIUZOSPDSO_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOC4CO3H
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RHHSYYPMFOTTRH-UHFFFAOYSA-N
Hvpx_RHHSYYPMFOTTRH_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RHHSYYPMFOTTRH_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RHHSYYPMFOTTRH_UHFFFAOYSA_N =  8.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO1C6OOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HEPNQRDDKATRCQ-UHFFFAOYSA-N
Hvpx_HEPNQRDDKATRCQ_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HEPNQRDDKATRCQ_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HEPNQRDDKATRCQ_UHFFFAOYSA_N =  6.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C615CO3H
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DXQJLRIPGQOCBO-UHFFFAOYSA-N
Hvpx_DXQJLRIPGQOCBO_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DXQJLRIPGQOCBO_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DXQJLRIPGQOCBO_UHFFFAOYSA_N =  4.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C729OOH
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PQESPNYRBXTFKD-UHFFFAOYSA-N
Hvpx_PQESPNYRBXTFKD_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PQESPNYRBXTFKD_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PQESPNYRBXTFKD_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C729CO3H
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MJXLYBJUYDBXAC-UHFFFAOYSA-N
Hvpx_MJXLYBJUYDBXAC_UHFFFAOYSA_N =  7.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MJXLYBJUYDBXAC_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MJXLYBJUYDBXAC_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C810OOH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YJCLQCSGAKCWEJ-UHFFFAOYSA-N
Hvpx_YJCLQCSGAKCWEJ_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YJCLQCSGAKCWEJ_UHFFFAOYSA_N =  9.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YJCLQCSGAKCWEJ_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C822OOH
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XWYULULFGKWPMD-UHFFFAOYSA-N
Hvpx_XWYULULFGKWPMD_UHFFFAOYSA_N =  6.2E-05 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_XWYULULFGKWPMD_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XWYULULFGKWPMD_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XWYULULFGKWPMD_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C830OOH
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QPQAMUJVCCDVQB-UHFFFAOYSA-N
Hvpx_QPQAMUJVCCDVQB_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QPQAMUJVCCDVQB_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QPQAMUJVCCDVQB_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C831OOH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IGXVNESWPQHYEP-UHFFFAOYSA-N
Hvpx_IGXVNESWPQHYEP_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IGXVNESWPQHYEP_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IGXVNESWPQHYEP_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C89OOH
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: TYPKFPBYWMWINI-UHFFFAOYSA-N
Hvpx_TYPKFPBYWMWINI_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_TYPKFPBYWMWINI_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_TYPKFPBYWMWINI_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C822CO3H
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DRDXOQWGQPPQFG-UHFFFAOYSA-N
Hvpx_DRDXOQWGQPPQFG_UHFFFAOYSA_N =  3.3E-05 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_DRDXOQWGQPPQFG_UHFFFAOYSA_N =  7.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DRDXOQWGQPPQFG_UHFFFAOYSA_N =  4.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DRDXOQWGQPPQFG_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C830CO3H
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YIGLTTCQERBPNX-UHFFFAOYSA-N
Hvpx_YIGLTTCQERBPNX_UHFFFAOYSA_N =  7.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YIGLTTCQERBPNX_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YIGLTTCQERBPNX_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C89CO3H
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QJRQWHYQDGSSTJ-UHFFFAOYSA-N
Hvpx_QJRQWHYQDGSSTJ_UHFFFAOYSA_N =  7.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QJRQWHYQDGSSTJ_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QJRQWHYQDGSSTJ_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C126OOH
! formula:  C_{12}H_{20}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KEVCPNVRIXMZTI-UHFFFAOYSA-N
Hvpx_KEVCPNVRIXMZTI_UHFFFAOYSA_N =  7.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KEVCPNVRIXMZTI_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KEVCPNVRIXMZTI_UHFFFAOYSA_N =  3.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C126CO3H
! formula:  C_{13}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OZAZBNTYEOZXRC-UHFFFAOYSA-N
Hvpx_OZAZBNTYEOZXRC_UHFFFAOYSA_N =  6.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OZAZBNTYEOZXRC_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OZAZBNTYEOZXRC_UHFFFAOYSA_N =  2.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C136OOH
! formula:  C_{13}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MAMVWZJYPZZMSJ-UHFFFAOYSA-N
Hvpx_MAMVWZJYPZZMSJ_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MAMVWZJYPZZMSJ_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MAMVWZJYPZZMSJ_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C136CO3H
! formula:  C_{14}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JKRMUSIUVDAEPW-UHFFFAOYSA-N
Hvpx_JKRMUSIUVDAEPW_UHFFFAOYSA_N =  8.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JKRMUSIUVDAEPW_UHFFFAOYSA_N =  3.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JKRMUSIUVDAEPW_UHFFFAOYSA_N =  7.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HCOCOHCO3H
! formula:  C_3H_4O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DIZMXPJJIVKAJT-UHFFFAOYSA-N
Hvpx_DIZMXPJJIVKAJT_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DIZMXPJJIVKAJT_UHFFFAOYSA_N =  4.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DIZMXPJJIVKAJT_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOCHOCOOH
! formula:  C_3H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GWWSSJVARZQKFN-UHFFFAOYSA-N
Hvpx_GWWSSJVARZQKFN_UHFFFAOYSA_N =  2.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GWWSSJVARZQKFN_UHFFFAOYSA_N =  4.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GWWSSJVARZQKFN_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OCCOHCOOH
! formula:  C_3H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UFAXCNDNIIDPQE-UHFFFAOYSA-N
Hvpx_UFAXCNDNIIDPQE_UHFFFAOYSA_N =  4.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UFAXCNDNIIDPQE_UHFFFAOYSA_N =  9.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UFAXCNDNIIDPQE_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4OCCOHOOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JJIHBDXOHFOUDV-UHFFFAOYSA-N
Hvpx_JJIHBDXOHFOUDV_UHFFFAOYSA_N =  4.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JJIHBDXOHFOUDV_UHFFFAOYSA_N =  4.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JJIHBDXOHFOUDV_UHFFFAOYSA_N =  7.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COCCOHCOOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XTEYRSCVGRLIOG-UHFFFAOYSA-N
Hvpx_XTEYRSCVGRLIOG_UHFFFAOYSA_N =  2.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XTEYRSCVGRLIOG_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XTEYRSCVGRLIOG_UHFFFAOYSA_N =  6.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COHM2CO3H
! formula:  C_4H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AEAZUHMXWJBPCW-UHFFFAOYSA-N
Hvpx_AEAZUHMXWJBPCW_UHFFFAOYSA_N =  3.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AEAZUHMXWJBPCW_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AEAZUHMXWJBPCW_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMACROOH
! formula:  C_4H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AWITZWJPGUOCMB-UHFFFAOYSA-N
Hvpx_AWITZWJPGUOCMB_UHFFFAOYSA_N =  1.4E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_AWITZWJPGUOCMB_UHFFFAOYSA_N =  2.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_AWITZWJPGUOCMB_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MACROHOOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HWQXXVVDRNBYQB-UHFFFAOYSA-N
Hvpx_HWQXXVVDRNBYQB_UHFFFAOYSA_N =  8.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HWQXXVVDRNBYQB_UHFFFAOYSA_N =  7.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HWQXXVVDRNBYQB_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MACROOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MOSGWPXPTZVSII-UHFFFAOYSA-N
Hvpx_MOSGWPXPTZVSII_UHFFFAOYSA_N =  4.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MOSGWPXPTZVSII_UHFFFAOYSA_N =  7.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MOSGWPXPTZVSII_UHFFFAOYSA_N =  9.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MALDIALOOH
! formula:  C_4H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MNYHDFHIZDEDLP-UHFFFAOYSA-N
Hvpx_MNYHDFHIZDEDLP_UHFFFAOYSA_N =  5.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MNYHDFHIZDEDLP_UHFFFAOYSA_N =  8.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MNYHDFHIZDEDLP_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ALC4DOLOOH
! formula:  C_5H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BTJWWKUWEVGVGA-UHFFFAOYSA-N
Hvpx_BTJWWKUWEVGVGA_UHFFFAOYSA_N =  3.4E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_BTJWWKUWEVGVGA_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_BTJWWKUWEVGVGA_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4MALOHOOH
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NJMKFLHNNBFYIH-UHFFFAOYSA-N
Hvpx_NJMKFLHNNBFYIH_UHFFFAOYSA_N =  9.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_NJMKFLHNNBFYIH_UHFFFAOYSA_N =  8.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NJMKFLHNNBFYIH_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C57OOH
! formula:  C_5H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VJGRRPOTERGJKF-UHFFFAOYSA-N
Hvpx_VJGRRPOTERGJKF_UHFFFAOYSA_N =  4.2E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_VJGRRPOTERGJKF_UHFFFAOYSA_N =  6.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_VJGRRPOTERGJKF_UHFFFAOYSA_N =  4.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C58OOH
! formula:  C_5H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MTCQYLXAFMKVMT-UHFFFAOYSA-N
Hvpx_MTCQYLXAFMKVMT_UHFFFAOYSA_N =  2.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MTCQYLXAFMKVMT_UHFFFAOYSA_N =  1.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MTCQYLXAFMKVMT_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOC4OHOOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LTZYUHWRVSINRM-UHFFFAOYSA-N
Hvpx_LTZYUHWRVSINRM_UHFFFAOYSA_N =  3.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LTZYUHWRVSINRM_UHFFFAOYSA_N =  3.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LTZYUHWRVSINRM_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HIEB1OOH
! formula:  C_5H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: COFCBVJXHDFSHS-UHFFFAOYSA-N
Hvpx_COFCBVJXHDFSHS_UHFFFAOYSA_N =  1.5E-14                                  ! [atm] type: Q, ref: 3409
Hvpx_COFCBVJXHDFSHS_UHFFFAOYSA_N =  3.4E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_COFCBVJXHDFSHS_UHFFFAOYSA_N =  8.4E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HIEB2OOH
! formula:  C_5H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: PKIUCWJPHHVKPZ-UHFFFAOYSA-N
Hvpx_PKIUCWJPHHVKPZ_UHFFFAOYSA_N =  2.3E-14                                  ! [atm] type: Q, ref: 3409
Hvpx_PKIUCWJPHHVKPZ_UHFFFAOYSA_N =  5.2E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_PKIUCWJPHHVKPZ_UHFFFAOYSA_N =  4.6E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOC4CHOOOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LRYOXTYJCQGVIC-UHFFFAOYSA-N
Hvpx_LRYOXTYJCQGVIC_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LRYOXTYJCQGVIC_UHFFFAOYSA_N =  7.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LRYOXTYJCQGVIC_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IEB2OOH
! formula:  C_5H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MCOKLECUTPXNOW-UHFFFAOYSA-N
Hvpx_MCOKLECUTPXNOW_UHFFFAOYSA_N =  4.2E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_MCOKLECUTPXNOW_UHFFFAOYSA_N =  1.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MCOKLECUTPXNOW_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1H4C5CO3H
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DOEHHISPDHWTCR-UHFFFAOYSA-N
Hvpx_DOEHHISPDHWTCR_UHFFFAOYSA_N =  3.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_DOEHHISPDHWTCR_UHFFFAOYSA_N =  9.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_DOEHHISPDHWTCR_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C623OOH
! formula:  C_6H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OGBKQGQRAMSXTF-UHFFFAOYSA-N
Hvpx_OGBKQGQRAMSXTF_UHFFFAOYSA_N =  2.0E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_OGBKQGQRAMSXTF_UHFFFAOYSA_N =  7.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_OGBKQGQRAMSXTF_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C67OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ONTGLCVTLGTTQS-UHFFFAOYSA-N
Hvpx_ONTGLCVTLGTTQS_UHFFFAOYSA_N =  5.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ONTGLCVTLGTTQS_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ONTGLCVTLGTTQS_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C68OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ITDKDNQPTMKBIM-UHFFFAOYSA-N
Hvpx_ITDKDNQPTMKBIM_UHFFFAOYSA_N =  5.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ITDKDNQPTMKBIM_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ITDKDNQPTMKBIM_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO1H63OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KJWILEAANBSBHN-UHFFFAOYSA-N
Hvpx_KJWILEAANBSBHN_UHFFFAOYSA_N =  5.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KJWILEAANBSBHN_UHFFFAOYSA_N =  3.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KJWILEAANBSBHN_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C728OOH
! formula:  C_7H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WJYXJQPIZCIBJO-UHFFFAOYSA-N
Hvpx_WJYXJQPIZCIBJO_UHFFFAOYSA_N =  1.0E-11 * EXP( -18000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_WJYXJQPIZCIBJO_UHFFFAOYSA_N =  2.6E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_WJYXJQPIZCIBJO_UHFFFAOYSA_N =  3.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WJYXJQPIZCIBJO_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C730OOH
! formula:  C_7H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YXKHJQXHKYJCPI-UHFFFAOYSA-N
Hvpx_YXKHJQXHKYJCPI_UHFFFAOYSA_N =  8.9E-12 * EXP( -18000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_YXKHJQXHKYJCPI_UHFFFAOYSA_N =  2.6E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_YXKHJQXHKYJCPI_UHFFFAOYSA_N =  4.8E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_YXKHJQXHKYJCPI_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C824OOH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FGEKWAMEWUMQIL-UHFFFAOYSA-N
Hvpx_FGEKWAMEWUMQIL_UHFFFAOYSA_N =  6.5E-08 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_FGEKWAMEWUMQIL_UHFFFAOYSA_N =  2.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FGEKWAMEWUMQIL_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FGEKWAMEWUMQIL_UHFFFAOYSA_N =  8.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C826OOH
! formula:  C_8H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MATCTRFTDTXPPO-UHFFFAOYSA-N
Hvpx_MATCTRFTDTXPPO_UHFFFAOYSA_N =  8.6E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_MATCTRFTDTXPPO_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MATCTRFTDTXPPO_UHFFFAOYSA_N =  3.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C127OOH
! formula:  C_{12}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CZSOPCQUOGQYQQ-UHFFFAOYSA-N
Hvpx_CZSOPCQUOGQYQQ_UHFFFAOYSA_N =  4.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CZSOPCQUOGQYQQ_UHFFFAOYSA_N =  2.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CZSOPCQUOGQYQQ_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1311OOH
! formula:  C_{13}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GNGYVQPBVCXXTM-UHFFFAOYSA-N
Hvpx_GNGYVQPBVCXXTM_UHFFFAOYSA_N =  4.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GNGYVQPBVCXXTM_UHFFFAOYSA_N =  3.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GNGYVQPBVCXXTM_UHFFFAOYSA_N =  4.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1313OOH
! formula:  C_{13}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ALNYAIDMJTUDIF-UHFFFAOYSA-N
Hvpx_ALNYAIDMJTUDIF_UHFFFAOYSA_N =  9.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_ALNYAIDMJTUDIF_UHFFFAOYSA_N =  6.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ALNYAIDMJTUDIF_UHFFFAOYSA_N =  2.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  propanone
! formula:  CH_3COCH_3
! trivial:  acetone
! casrn:    67-64-1
! inchikey: CSCPPACGZOOCGX-UHFFFAOYSA-N
Hvpx______67_64_1 =  2.0E+00 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______67_64_1 =  2.0E+00 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______67_64_1 =  1.9E+00 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______67_64_1 =  2.0E+00 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______67_64_1 =  1.7E+00 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2822
Hvpx______67_64_1 =  2.0E+00 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______67_64_1 =  2.1E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______67_64_1 =  1.9E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______67_64_1 =  2.0E+00 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3617
Hvpx______67_64_1 =  1.8E+00 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______67_64_1 =  1.9E+00 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2822
Hvpx______67_64_1 =  1.6E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3526
Hvpx______67_64_1 =  2.1E+00 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2524
Hvpx______67_64_1 =  2.3E+00 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3112
Hvpx______67_64_1 =  2.1E+00 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1571
Hvpx______67_64_1 =  2.3E+00                                  ! [atm] type: M, ref: 1937
Hvpx______67_64_1 =  2.3E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2825
Hvpx______67_64_1 =  2.0E+00                                  ! [atm] type: M, ref: 3532
Hvpx______67_64_1 =  5.4E+00                                  ! [atm] type: M, ref: 2969
Hvpx______67_64_1 =  5.8E+02                                  ! [atm] type: M, ref: 2969
Hvpx______67_64_1 =  1.0E+00                                  ! [atm] type: M, ref: 2969
Hvpx______67_64_1 =  5.7E+00                                  ! [atm] type: M, ref: 3646
Hvpx______67_64_1 =  2.0E+00 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 617
Hvpx______67_64_1 =  2.1E+00                                  ! [atm] type: M, ref: 637
Hvpx______67_64_1 =  3.2E+00                                  ! [atm] type: M, ref: 3675
Hvpx______67_64_1 =  1.7E+00 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 495
Hvpx______67_64_1 =  1.6E+00 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 630
Hvpx______67_64_1 =  4.6E+00                                  ! [atm] type: M, ref: 2924
Hvpx______67_64_1 =  3.8E+00                                  ! [atm] type: M, ref: 2448
Hvpx______67_64_1 =  2.2E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 483
Hvpx______67_64_1 =  1.7E+00 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1331
Hvpx______67_64_1 =  2.9E+00                                  ! [atm] type: M, ref: 3635
Hvpx______67_64_1 =  2.1E+00 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3667
Hvpx______67_64_1 =  2.8E+00 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3640
Hvpx______67_64_1 =  3.6E+00                                  ! [atm] type: M, ref: 2917
Hvpx______67_64_1 =  2.2E+00                                  ! [atm] type: M, ref: 728
Hvpx______67_64_1 =  2.2E+00                                  ! [atm] type: M, ref: 1492
Hvpx______67_64_1 =  1.7E+00                                  ! [atm] type: M, ref: 1492
Hvpx______67_64_1 =  2.2E+00                                  ! [atm] type: M, ref: 754
Hvpx______67_64_1 =  1.8E+00                                  ! [atm] type: M, ref: 2387
Hvpx______67_64_1 =  2.0E+00                                  ! [atm] type: M, ref: 496
Hvpx______67_64_1 =  3.1E+01                                  ! [atm] type: V, ref: 2580
Hvpx______67_64_1 =  2.1E+00                                  ! [atm] type: V, ref: 2439
Hvpx______67_64_1 =  1.7E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx______67_64_1 =  2.2E+00                                  ! [atm] type: V, ref: 2234
Hvpx______67_64_1 =  1.8E+01                                  ! [atm] type: R, ref: 714
Hvpx______67_64_1 =  1.8E+00                                  ! [atm] type: R, ref: 713
Hvpx______67_64_1 =  2.2E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx______67_64_1 =  2.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______67_64_1 =  2.5E+00 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: X, ref: 859
Hvpx______67_64_1 =  1.8E+01 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx______67_64_1 =  1.8E+00                                  ! [atm] type: X, ref: gaffney84
Hvpx______67_64_1 =  2.0E+00                                  ! [atm] type: C, ref: 1910
Hvpx______67_64_1 =  9.0E-01                                  ! [atm] type: Q, ref: 3682
Hvpx______67_64_1 =  2.1E+00                                  ! [atm] type: Q, ref: 3728
Hvpx______67_64_1 =  4.5E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______67_64_1 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______67_64_1 =  8.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______67_64_1 =  1.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______67_64_1 =  7.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______67_64_1 =  2.2E+00                                  ! [atm] type: Q, ref: 3689
Hvpx______67_64_1 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______67_64_1 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______67_64_1 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______67_64_1 =  3.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______67_64_1 =  1.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______67_64_1 =  2.1E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______67_64_1 =  2.1E+00                                  ! [atm] type: Q, ref: 2543
Hvpx______67_64_1 =  2.3E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______67_64_1 =  2.6E+00                                  ! [atm] type: Q, ref: 984
Hvpx______67_64_1 =  2.8E+00                                  ! [atm] type: Q, ref: 1162
Hvpx______67_64_1 =  2.2E+00                                  ! [atm] type: Q, ref: 2531
Hvpx______67_64_1 =  1.9E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______67_64_1 =  2.2E+00                                  ! [atm] type: ?, ref: 2613
Hvpx______67_64_1 =  3.6E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______67_64_1 =  3.1E+00                                  ! [atm] type: ?, ref: 3091
Hvpx______67_64_1 =  3.4E+00                                  ! [atm] type: ?, ref: 3614
Hvpx______67_64_1 =  2.4E+00                                  ! [atm] type: ?, ref: 789
Hvpx______67_64_1 =  2.2E+00                                  ! [atm] type: ?, ref: 1500

! species:  propanone-2-13C
! formula:  CH_3COCH_3
! trivial:  acetone-2-13C
! casrn:    3881-06-9
! inchikey: CSCPPACGZOOCGX-LBPDFUHNSA-N
Hvpx____3881_06_9 =  1.8E+00 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1-hydroxypropanone
! formula:  CH_3COCH_2OH
! trivial:  hydroxyacetone
! casrn:    116-09-6
! inchikey: XLSMFKSTNGKWQX-UHFFFAOYSA-N
Hvpx_____116_09_6 =  7.1E-03                                  ! [atm] type: C, ref: 2527
Hvpx_____116_09_6 =  6.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____116_09_6 =  3.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____116_09_6 =  2.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  butanone
! formula:  C_2H_5COCH_3
! trivial:  methyl ethyl ketone; MEK
! casrn:    78-93-3
! inchikey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N
Hvpx______78_93_3 =  3.1E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______78_93_3 =  3.1E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______78_93_3 =  3.0E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______78_93_3 =  3.1E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______78_93_3 =  3.1E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______78_93_3 =  2.8E+00 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______78_93_3 =  3.0E+00 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______78_93_3 =  3.0E+00 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3617
Hvpx______78_93_3 =  2.7E+00 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______78_93_3 =  5.3E+00                                  ! [atm] type: M, ref: 3032
Hvpx______78_93_3 =  5.8E+00                                  ! [atm] type: M, ref: 2955
Hvpx______78_93_3 =  2.6E+00 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2524
Hvpx______78_93_3 =  3.7E+00 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3112
Hvpx______78_93_3 =  2.0E+01 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1571
Hvpx______78_93_3 =  3.2E+00                                  ! [atm] type: M, ref: 1937
Hvpx______78_93_3 =  3.6E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2825
Hvpx______78_93_3 =  4.9E+00                                  ! [atm] type: M, ref: 1922
Hvpx______78_93_3 =  4.2E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3609
Hvpx______78_93_3 =  5.5E+00                                  ! [atm] type: M, ref: 3643
Hvpx______78_93_3 =  5.3E+00                                  ! [atm] type: M, ref: 3670
Hvpx______78_93_3 =  6.1E+00                                  ! [atm] type: M, ref: 3611
Hvpx______78_93_3 =  3.4E+00                                  ! [atm] type: M, ref: 2837
Hvpx______78_93_3 =  3.5E+00                                  ! [atm] type: M, ref: 3646
Hvpx______78_93_3 =  2.8E+00                                  ! [atm] type: M, ref: 1073
Hvpx______78_93_3 =  3.9E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 858
Hvpx______78_93_3 =  2.8E+00 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 630
Hvpx______78_93_3 =  8.1E+00 * EXP(   5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______78_93_3 =  4.1E+00                                  ! [atm] type: M, ref: 2448
Hvpx______78_93_3 =  3.1E+00                                  ! [atm] type: M, ref: 2449
Hvpx______78_93_3 =  3.2E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 483
Hvpx______78_93_3 =  3.9E+00                                  ! [atm] type: M, ref: 2232
Hvpx______78_93_3 =  4.5E+00                                  ! [atm] type: M, ref: 3635
Hvpx______78_93_3 =  1.7E+00                                  ! [atm] type: M, ref: 3640
Hvpx______78_93_3 =  5.4E+00                                  ! [atm] type: M, ref: 729
Hvpx______78_93_3 =  5.5E+00                                  ! [atm] type: M, ref: 2917
Hvpx______78_93_3 =  3.1E+00                                  ! [atm] type: M, ref: 728
Hvpx______78_93_3 =  4.8E+00                                  ! [atm] type: M, ref: 1492
Hvpx______78_93_3 =  2.9E+00                                  ! [atm] type: M, ref: 792
Hvpx______78_93_3 =  2.6E+00                                  ! [atm] type: M, ref: 754
Hvpx______78_93_3 =  4.9E+01                                  ! [atm] type: V, ref: 2580
Hvpx______78_93_3 =  2.0E+00                                  ! [atm] type: V, ref: 2613
Hvpx______78_93_3 =  2.0E+00                                  ! [atm] type: V, ref: 636
Hvpx______78_93_3 =  2.1E+00                                  ! [atm] type: V, ref: 2439
Hvpx______78_93_3 =  6.3E+00 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx______78_93_3 =  3.4E+00                                  ! [atm] type: V, ref: 2234
Hvpx______78_93_3 =  7.7E+00                                  ! [atm] type: R, ref: 714
Hvpx______78_93_3 =  2.6E+00 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx______78_93_3 =  7.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_93_3 =  7.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_93_3 =  7.7E+00 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx______78_93_3 =  2.4E+00                                  ! [atm] type: C, ref: 636
Hvpx______78_93_3 =  1.3E+00                                  ! [atm] type: C, ref: 1912
Hvpx______78_93_3 =  2.9E+00                                  ! [atm] type: C, ref: 1910
Hvpx______78_93_3 =  2.4E+00                                  ! [atm] type: Q, ref: 3682
Hvpx______78_93_3 =  3.0E+00                                  ! [atm] type: Q, ref: 3728
Hvpx______78_93_3 =  3.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______78_93_3 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______78_93_3 =  1.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______78_93_3 =  2.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______78_93_3 =  1.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______78_93_3 =  2.6E+00                                  ! [atm] type: Q, ref: 3689
Hvpx______78_93_3 =  2.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx______78_93_3 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______78_93_3 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______78_93_3 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______78_93_3 =  6.5E+00                                  ! [atm] type: Q, ref: 3579
Hvpx______78_93_3 =  4.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______78_93_3 =  1.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______78_93_3 =  3.2E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______78_93_3 =  3.9E+00                                  ! [atm] type: Q, ref: 2543
Hvpx______78_93_3 =  1.8E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______78_93_3 =  3.3E+00                                  ! [atm] type: Q, ref: 984
Hvpx______78_93_3 =  3.6E+00                                  ! [atm] type: Q, ref: 1162
Hvpx______78_93_3 =  3.1E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______78_93_3 =  5.3E+00                                  ! [atm] type: ?, ref: 2613
Hvpx______78_93_3 =  1.6E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______78_93_3 =  3.7E+00                                  ! [atm] type: ?, ref: 3091
Hvpx______78_93_3 =  5.3E+00                                  ! [atm] type: ?, ref: 3614
Hvpx______78_93_3 =  1.8E+00                                  ! [atm] type: ?, ref: 495
Hvpx______78_93_3 =  2.6E+00                                  ! [atm] type: ?, ref: 1500

! species:  butanone-1,1,1,3,3-d5
! formula:  C_2H_5COCH_3
! trivial:  methyl ethyl ketone-d5; MEK-d5
! casrn:    24313-50-6
! inchikey: ZWEHNKRNPOVVGH-PDWRLMEDSA-N
Hvpx___24313_50_6 =  1.5E+00 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  2-pentanone
! formula:  C_3H_7COCH_3
! trivial:  
! casrn:    107-87-9
! inchikey: XNLICIUVMPYHGG-UHFFFAOYSA-N
Hvpx_____107_87_9 =  4.1E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____107_87_9 =  4.4E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3617
Hvpx_____107_87_9 =  4.2E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3632
Hvpx_____107_87_9 =  3.3E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2524
Hvpx_____107_87_9 =  5.5E+00 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3112
Hvpx_____107_87_9 =  6.4E+00                                  ! [atm] type: M, ref: 1937
Hvpx_____107_87_9 =  5.2E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2825
Hvpx_____107_87_9 =  4.9E+00                                  ! [atm] type: M, ref: 2837
Hvpx_____107_87_9 =  4.6E+00                                  ! [atm] type: M, ref: 2339
Hvpx_____107_87_9 =  6.1E+00                                  ! [atm] type: M, ref: 2232
Hvpx_____107_87_9 =  8.5E+00                                  ! [atm] type: M, ref: 2917
Hvpx_____107_87_9 =  3.1E+00                                  ! [atm] type: M, ref: 1492
Hvpx_____107_87_9 =  5.1E+00                                  ! [atm] type: M, ref: 1492
Hvpx_____107_87_9 =  3.5E+00                                  ! [atm] type: M, ref: 754
Hvpx_____107_87_9 =  6.0E+00                                  ! [atm] type: M, ref: 2387
Hvpx_____107_87_9 =  3.7E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____107_87_9 =  9.2E+00                                  ! [atm] type: V, ref: 3642
Hvpx_____107_87_9 =  3.7E+00                                  ! [atm] type: V, ref: 2339
Hvpx_____107_87_9 =  3.7E+00                                  ! [atm] type: V, ref: 636
Hvpx_____107_87_9 =  2.3E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx_____107_87_9 =  2.1E+00                                  ! [atm] type: V, ref: 2234
Hvpx_____107_87_9 =  1.8E+00                                  ! [atm] type: V, ref: 2388
Hvpx_____107_87_9 =  4.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____107_87_9 =  6.0E+00 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx_____107_87_9 =  3.2E+00                                  ! [atm] type: C, ref: 636
Hvpx_____107_87_9 =  2.2E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____107_87_9 =  6.3E+00                                  ! [atm] type: Q, ref: 3728
Hvpx_____107_87_9 =  2.5E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_87_9 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_87_9 =  1.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_87_9 =  3.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_87_9 =  3.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_87_9 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_87_9 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_87_9 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_87_9 =  5.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_87_9 =  3.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_87_9 =  4.0E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____107_87_9 =  2.8E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____107_87_9 =  4.7E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____107_87_9 =  4.4E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____107_87_9 =  4.7E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____107_87_9 =  4.6E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____107_87_9 =  3.5E+00                                  ! [atm] type: ?, ref: 2613
Hvpx_____107_87_9 =  4.0E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____107_87_9 =  4.1E+00                                  ! [atm] type: ?, ref: 3091
Hvpx_____107_87_9 =  8.2E+00                                  ! [atm] type: ?, ref: 3614
Hvpx_____107_87_9 =  3.6E+00                                  ! [atm] type: ?, ref: 1500
Hvpx_____107_87_9 =  1.7E+00                                  ! [atm] type: ?, ref: 2233

! species:  3-pentanone
! formula:  C_2H_5COC_2H_5
! trivial:  diethyl ketone
! casrn:    96-22-0
! inchikey: FDPIMTJIUBPUKL-UHFFFAOYSA-N
Hvpx______96_22_0 =  6.2E+00 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______96_22_0 =  4.8E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3617
Hvpx______96_22_0 =  5.0E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3632
Hvpx______96_22_0 =  2.6E+00                                  ! [atm] type: M, ref: 3526
Hvpx______96_22_0 =  3.5E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2524
Hvpx______96_22_0 =  7.8E+00                                  ! [atm] type: M, ref: 2917
Hvpx______96_22_0 =  5.6E+03                                  ! [atm] type: M, ref: 2491
Hvpx______96_22_0 =  6.5E+00                                  ! [atm] type: V, ref: 2613
Hvpx______96_22_0 =  4.4E+00                                  ! [atm] type: V, ref: 636
Hvpx______96_22_0 =  6.5E+00                                  ! [atm] type: V, ref: 636
Hvpx______96_22_0 =  2.0E+00                                  ! [atm] type: V, ref: 2234
Hvpx______96_22_0 =  4.3E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx______96_22_0 =  6.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______96_22_0 =  6.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______96_22_0 =  2.7E+00 * EXP(  -9200.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx______96_22_0 =  4.8E+00                                  ! [atm] type: X, ref: howard93
Hvpx______96_22_0 =  4.3E+00                                  ! [atm] type: C, ref: 1910
Hvpx______96_22_0 =  6.4E+00                                  ! [atm] type: Q, ref: 3682
Hvpx______96_22_0 =  2.5E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______96_22_0 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______96_22_0 =  1.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______96_22_0 =  4.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______96_22_0 =  8.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______96_22_0 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______96_22_0 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______96_22_0 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______96_22_0 =  7.3E+00                                  ! [atm] type: Q, ref: 3579
Hvpx______96_22_0 =  5.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______96_22_0 =  2.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______96_22_0 =  4.0E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______96_22_0 =  1.3E+01                                  ! [atm] type: Q, ref: 3731
Hvpx______96_22_0 =  5.0E+00                                  ! [atm] type: Q, ref: 2543
Hvpx______96_22_0 =  2.0E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______96_22_0 =  4.4E+00                                  ! [atm] type: Q, ref: 984
Hvpx______96_22_0 =  2.8E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______96_22_0 =  6.6E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______96_22_0 =  4.6E+00                                  ! [atm] type: ?, ref: 3091
Hvpx______96_22_0 =  7.4E+00                                  ! [atm] type: ?, ref: 3614
Hvpx______96_22_0 =  4.3E+00                                  ! [atm] type: ?, ref: 1500

! species:  1-cyclopropyl-ethanone
! formula:  C_5H_8O
! trivial:  cyclopropyl methyl ketone
! casrn:    765-43-5
! inchikey: HVCFCNAITDHQFX-UHFFFAOYSA-N
Hvpx_____765_43_5 =  5.7E-01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx_____765_43_5 =  2.5E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____765_43_5 =  5.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____765_43_5 =  1.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____765_43_5 =  1.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____765_43_5 =  1.8E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____765_43_5 =  8.5E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____765_43_5 =  5.6E-01                                  ! [atm] type: ?, ref: 3586

! species:  3-methyl-2-butanone
! formula:  C_5H_{10}O
! trivial:  isopropyl methyl ketone
! casrn:    563-80-4
! inchikey: SYBYTAAJFKOIEJ-UHFFFAOYSA-N
Hvpx_____563_80_4 =  5.0E+00 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____563_80_4 =  6.0E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3617
Hvpx_____563_80_4 =  5.9E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3632
Hvpx_____563_80_4 =  5.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____563_80_4 =  6.3E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____563_80_4 =  5.7E+00                                  ! [atm] type: V, ref: 1910
Hvpx_____563_80_4 =  6.1E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx_____563_80_4 =  4.3E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____563_80_4 =  1.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____563_80_4 =  4.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____563_80_4 =  2.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____563_80_4 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____563_80_4 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____563_80_4 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____563_80_4 =  6.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____563_80_4 =  2.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____563_80_4 =  5.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____563_80_4 =  8.5E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____563_80_4 =  2.1E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____563_80_4 =  5.3E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____563_80_4 =  5.1E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____563_80_4 =  5.1E+00                                  ! [atm] type: ?, ref: 3091
Hvpx_____563_80_4 =  5.6E+00                                  ! [atm] type: ?, ref: 1500

! species:  cyclopentanone
! formula:  C_5H_8O
! trivial:  
! casrn:    120-92-3
! inchikey: BGTOWKSIORTVQH-UHFFFAOYSA-N
Hvpx_____120_92_3 =  4.4E-01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____120_92_3 =  2.0E-01                                  ! [atm] type: M, ref: 3526
Hvpx_____120_92_3 =  6.7E-01 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3609
Hvpx_____120_92_3 =  6.6E-01                                  ! [atm] type: M, ref: 2232
Hvpx_____120_92_3 =  7.4E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____120_92_3 =  2.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____120_92_3 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____120_92_3 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____120_92_3 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____120_92_3 =  4.8E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____120_92_3 =  1.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____120_92_3 =  5.4E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____120_92_3 =  7.3E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____120_92_3 =  8.0E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____120_92_3 =  7.6E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____120_92_3 =  5.5E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____120_92_3 =  4.8E-01                                  ! [atm] type: ?, ref: 1500

! species:  2-hexanone
! formula:  C_6H_{12}O
! trivial:  
! casrn:    591-78-6
! inchikey: QQZOPKMRPOGIEB-UHFFFAOYSA-N
Hvpx_____591_78_6 =  5.2E+00 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____591_78_6 =  5.5E+00 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3617
Hvpx_____591_78_6 =  5.5E+00 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3632
Hvpx_____591_78_6 =  3.6E+00 * EXP(  -8600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____591_78_6 =  6.9E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3112
Hvpx_____591_78_6 =  4.9E+00                                  ! [atm] type: M, ref: 1937
Hvpx_____591_78_6 =  6.3E+00 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2825
Hvpx_____591_78_6 =  1.3E+01                                  ! [atm] type: M, ref: 2917
Hvpx_____591_78_6 =  5.2E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____591_78_6 =  5.1E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____591_78_6 =  5.0E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____591_78_6 =  5.0E+00                                  ! [atm] type: V, ref: 636
Hvpx_____591_78_6 =  5.3E+00                                  ! [atm] type: V, ref: 1145
Hvpx_____591_78_6 =  8.4E-01 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx_____591_78_6 =  5.3E+00                                  ! [atm] type: V, ref: 1910
Hvpx_____591_78_6 =  4.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____591_78_6 =  5.3E+00                                  ! [atm] type: X, ref: howard93
Hvpx_____591_78_6 =  3.3E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____591_78_6 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____591_78_6 =  1.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____591_78_6 =  5.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____591_78_6 =  3.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____591_78_6 =  6.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____591_78_6 =  3.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____591_78_6 =  6.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____591_78_6 =  6.5E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____591_78_6 =  2.3E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____591_78_6 =  5.9E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____591_78_6 =  6.4E+00                                  ! [atm] type: Q, ref: 1145
Hvpx_____591_78_6 =  4.7E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____591_78_6 =  4.7E+00                                  ! [atm] type: ?, ref: 3091
Hvpx_____591_78_6 =  1.2E+01                                  ! [atm] type: ?, ref: 3614
Hvpx_____591_78_6 =  5.3E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-hexanone-1,1,1,3,3-d5
! formula:  C_6H_{12}O
! trivial:  
! casrn:    4840-82-8
! inchikey: QQZOPKMRPOGIEB-ZTIZGVCASA-N
Hvpx____4840_82_8 =  3.3E+00 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  3-hexanone
! formula:  C_6H_{12}O
! trivial:  
! casrn:    589-38-8
! inchikey: PFCHFHIRKBAQGU-UHFFFAOYSA-N
Hvpx_____589_38_8 =  7.0E+00 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____589_38_8 =  7.2E+00                                  ! [atm] type: L, ref: 3617
Hvpx_____589_38_8 =  7.2E+00 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3632
Hvpx_____589_38_8 =  6.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____589_38_8 =  6.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____589_38_8 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____589_38_8 =  1.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_38_8 =  6.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_38_8 =  3.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____589_38_8 =  8.8E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____589_38_8 =  8.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____589_38_8 =  3.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____589_38_8 =  6.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____589_38_8 =  2.6E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____589_38_8 =  6.8E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____589_38_8 =  6.8E+00                                  ! [atm] type: ?, ref: 3091

! species:  3-methyl-2-pentanone
! formula:  C_6H_{12}O
! trivial:  
! casrn:    565-61-7
! inchikey: UIHCLUNTQKBZGK-UHFFFAOYSA-N
Hvpx_____565_61_7 =  6.5E+00                                  ! [atm] type: L, ref: 3617
Hvpx_____565_61_7 =  7.0E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3632
Hvpx_____565_61_7 =  4.1E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____565_61_7 =  4.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____565_61_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____565_61_7 =  5.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____565_61_7 =  3.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____565_61_7 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_61_7 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_61_7 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_61_7 =  7.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____565_61_7 =  2.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____565_61_7 =  5.7E+00                                  ! [atm] type: ?, ref: 3091

! species:  4-methyl-2-pentanone
! formula:  (CH_3)_2CHCH_2COCH_3
! trivial:  methyl isobutyl ketone; MIBK
! casrn:    108-10-1
! inchikey: NTIZESTWPVYFNL-UHFFFAOYSA-N
Hvpx_____108_10_1 =  7.9E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_10_1 =  7.9E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3617
Hvpx_____108_10_1 =  8.5E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3632
Hvpx_____108_10_1 =  1.4E+01                                  ! [atm] type: M, ref: 3032
Hvpx_____108_10_1 =  5.5E+00 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____108_10_1 =  1.4E+01                                  ! [atm] type: M, ref: 2837
Hvpx_____108_10_1 =  1.2E+01                                  ! [atm] type: M, ref: 3646
Hvpx_____108_10_1 =  1.3E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 857
Hvpx_____108_10_1 =  2.5E+01 * EXP(   -110.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____108_10_1 =  8.4E+00                                  ! [atm] type: M, ref: 2448
Hvpx_____108_10_1 =  1.8E+01                                  ! [atm] type: M, ref: 2917
Hvpx_____108_10_1 =  7.6E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____108_10_1 =  7.7E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____108_10_1 =  8.4E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____108_10_1 =  8.4E+00                                  ! [atm] type: V, ref: 636
Hvpx_____108_10_1 =  7.6E+00                                  ! [atm] type: V, ref: 2439
Hvpx_____108_10_1 =  3.8E+00                                  ! [atm] type: V, ref: 2234
Hvpx_____108_10_1 =  7.7E+00                                  ! [atm] type: V, ref: 1910
Hvpx_____108_10_1 =  7.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_10_1 =  5.2E+00                                  ! [atm] type: X, ref: howard90
Hvpx_____108_10_1 =  3.9E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____108_10_1 =  4.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_10_1 =  1.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_10_1 =  4.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_10_1 =  2.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_10_1 =  6.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_10_1 =  3.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_10_1 =  7.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_10_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_10_1 =  3.2E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_10_1 =  6.9E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____108_10_1 =  7.5E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_10_1 =  7.6E+00                                  ! [atm] type: ?, ref: 3091
Hvpx_____108_10_1 =  1.7E+01                                  ! [atm] type: ?, ref: 3614
Hvpx_____108_10_1 =  1.8E+00                                  ! [atm] type: ?, ref: 495
Hvpx_____108_10_1 =  7.8E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-methyl-3-pentanone
! formula:  C_6H_{12}O
! trivial:  
! casrn:    565-69-5
! inchikey: HYTRYEXINDDXJK-UHFFFAOYSA-N
Hvpx_____565_69_5 =  1.0E+01                                  ! [atm] type: L, ref: 3617
Hvpx_____565_69_5 =  1.1E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3632
Hvpx_____565_69_5 =  8.5E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____565_69_5 =  4.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____565_69_5 =  1.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____565_69_5 =  5.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____565_69_5 =  4.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____565_69_5 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_69_5 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_69_5 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_69_5 =  8.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____565_69_5 =  3.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____565_69_5 =  5.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____565_69_5 =  2.4E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____565_69_5 =  8.6E+00                                  ! [atm] type: ?, ref: 3091

! species:  3,3-dimethyl-2-butanone
! formula:  C_6H_{12}O
! trivial:  {\it tert}-butyl methyl ketone
! casrn:    75-97-8
! inchikey: PJGSXYOJTGTZAV-UHFFFAOYSA-N
Hvpx______75_97_8 =  1.3E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_97_8 =  1.2E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3617
Hvpx______75_97_8 =  1.3E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3632
Hvpx______75_97_8 =  1.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx______75_97_8 =  1.2E+01                                  ! [atm] type: V, ref: 3088
Hvpx______75_97_8 =  7.2E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx______75_97_8 =  9.9E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______75_97_8 =  2.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_97_8 =  7.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_97_8 =  3.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_97_8 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_97_8 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______75_97_8 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_97_8 =  1.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______75_97_8 =  2.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______75_97_8 =  6.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______75_97_8 =  1.2E+01                                  ! [atm] type: Q, ref: 2543
Hvpx______75_97_8 =  2.0E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______75_97_8 =  6.9E+00                                  ! [atm] type: Q, ref: 984
Hvpx______75_97_8 =  8.5E+00                                  ! [atm] type: ?, ref: 3091

! species:  cyclohexanone
! formula:  C_6H_{10}O
! trivial:  
! casrn:    108-94-1
! inchikey: JHIVVAPYMSGYDF-UHFFFAOYSA-N
Hvpx_____108_94_1 =  3.6E-01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_94_1 =  6.4E-01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3609
Hvpx_____108_94_1 =  6.6E-01                                  ! [atm] type: M, ref: 2232
Hvpx_____108_94_1 =  5.0E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____108_94_1 =  1.4E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____108_94_1 =  1.4E+00                                  ! [atm] type: V, ref: 636
Hvpx_____108_94_1 =  1.2E+00                                  ! [atm] type: V, ref: 1145
Hvpx_____108_94_1 =  2.5E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_94_1 =  2.1E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____108_94_1 =  5.5E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_94_1 =  2.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_94_1 =  5.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_94_1 =  2.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_94_1 =  9.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_94_1 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_94_1 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_94_1 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_94_1 =  5.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_94_1 =  5.0E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_94_1 =  4.7E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_94_1 =  6.0E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_94_1 =  8.7E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_94_1 =  9.8E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____108_94_1 =  2.8E+00                                  ! [atm] type: Q, ref: 1145
Hvpx_____108_94_1 =  5.0E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_94_1 =  3.1E-01                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_94_1 =  3.4E-01                                  ! [atm] type: ?, ref: 1500

! species:  2-heptanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    110-43-0
! inchikey: CATSNJVOTSVZJV-UHFFFAOYSA-N
Hvpx_____110_43_0 =  8.1E+00 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____110_43_0 =  7.6E+00 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3617
Hvpx_____110_43_0 =  9.2E+00 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3112
Hvpx_____110_43_0 =  8.1E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2825
Hvpx_____110_43_0 =  1.4E+01                                  ! [atm] type: M, ref: 3643
Hvpx_____110_43_0 =  1.3E+01                                  ! [atm] type: M, ref: 3670
Hvpx_____110_43_0 =  2.2E+01                                  ! [atm] type: M, ref: 3611
Hvpx_____110_43_0 =  8.8E+00                                  ! [atm] type: M, ref: 2837
Hvpx_____110_43_0 =  9.3E+00                                  ! [atm] type: M, ref: 2339
Hvpx_____110_43_0 =  1.5E+01                                  ! [atm] type: M, ref: 2917
Hvpx_____110_43_0 =  8.0E+00                                  ! [atm] type: M, ref: 754
Hvpx_____110_43_0 =  7.3E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____110_43_0 =  7.3E+00                                  ! [atm] type: V, ref: 2339
Hvpx_____110_43_0 =  7.3E+00                                  ! [atm] type: V, ref: 636
Hvpx_____110_43_0 =  3.0E-01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx_____110_43_0 =  3.1E+00                                  ! [atm] type: V, ref: 2234
Hvpx_____110_43_0 =  7.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_43_0 =  7.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_43_0 =  1.6E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx_____110_43_0 =  3.6E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____110_43_0 =  1.0E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____110_43_0 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_43_0 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_43_0 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_43_0 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_43_0 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_43_0 =  8.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_43_0 =  4.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_43_0 =  4.7E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_43_0 =  8.3E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_43_0 =  2.4E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_43_0 =  7.6E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____110_43_0 =  8.7E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____110_43_0 =  8.0E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____110_43_0 =  9.4E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____110_43_0 =  8.0E+00                                  ! [atm] type: ?, ref: 2613
Hvpx_____110_43_0 =  7.3E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____110_43_0 =  7.3E+00                                  ! [atm] type: ?, ref: 3091
Hvpx_____110_43_0 =  1.4E+01                                  ! [atm] type: ?, ref: 3614
Hvpx_____110_43_0 =  8.0E+00                                  ! [atm] type: ?, ref: 1500
Hvpx_____110_43_0 =  5.0E+00                                  ! [atm] type: ?, ref: 2233

! species:  3-heptanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    106-35-4
! inchikey: NGAZZOYFWWSOGK-UHFFFAOYSA-N
Hvpx_____106_35_4 =  7.6E+00 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____106_35_4 =  5.0E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____106_35_4 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_35_4 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_35_4 =  7.5E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____106_35_4 =  1.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_35_4 =  9.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_35_4 =  3.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_35_4 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_35_4 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_35_4 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_35_4 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____106_35_4 =  4.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_35_4 =  4.7E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_35_4 =  3.9E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_35_4 =  2.2E+01                                  ! [atm] type: ?, ref: 3091

! species:  4-heptanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    123-19-3
! inchikey: HCFAJYNVAYBARA-UHFFFAOYSA-N
Hvpx_____123_19_3 =  1.1E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____123_19_3 =  8.9E+00 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3617
Hvpx_____123_19_3 =  3.0E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____123_19_3 =  1.3E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____123_19_3 =  9.7E+00                                  ! [atm] type: V, ref: 1910
Hvpx_____123_19_3 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_19_3 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_19_3 =  1.4E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____123_19_3 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_19_3 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_19_3 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_19_3 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_19_3 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____123_19_3 =  1.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_19_3 =  4.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_19_3 =  9.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____123_19_3 =  8.3E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____123_19_3 =  3.0E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____123_19_3 =  7.1E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____123_19_3 =  2.4E+01                                  ! [atm] type: ?, ref: 3091
Hvpx_____123_19_3 =  9.8E+00                                  ! [atm] type: ?, ref: 1500

! species:  3-methyl-2-hexanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    2550-21-2
! inchikey: GYWYASONLSQZBB-UHFFFAOYSA-N
Hvpx____2550_21_2 =  2.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2550_21_2 =  1.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____2550_21_2 =  1.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____2550_21_2 =  1.7E+01                                  ! [atm] type: ?, ref: 3091

! species:  4-methyl-2-hexanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    105-42-0
! inchikey: XUPXMIAWKPTZLZ-UHFFFAOYSA-N
Hvpx_____105_42_0 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____105_42_0 =  1.5E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____105_42_0 =  5.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____105_42_0 =  2.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____105_42_0 =  1.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____105_42_0 =  1.7E+01                                  ! [atm] type: ?, ref: 3091

! species:  5-methyl-2-hexanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    110-12-3
! inchikey: FFWSICBKRCICMR-UHFFFAOYSA-N
Hvpx_____110_12_3 =  8.6E+00 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____110_12_3 =  8.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____110_12_3 =  8.9E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____110_12_3 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_12_3 =  4.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_12_3 =  1.5E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_12_3 =  5.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_12_3 =  1.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_12_3 =  1.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_12_3 =  7.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_12_3 =  5.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_12_3 =  7.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_12_3 =  2.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_12_3 =  2.0E+01                                  ! [atm] type: ?, ref: 3091

! species:  2-methyl-3-hexanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    7379-12-6
! inchikey: HIGGFWFRAWSMBR-UHFFFAOYSA-N
Hvpx____7379_12_6 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7379_12_6 =  1.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____7379_12_6 =  1.3E+01                                  ! [atm] type: ?, ref: 3091

! species:  4-methyl-3-hexanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    17042-16-9
! inchikey: ULPMRIXXHGUZFA-UHFFFAOYSA-N
Hvpx___17042_16_9 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17042_16_9 =  1.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___17042_16_9 =  1.5E+01                                  ! [atm] type: ?, ref: 3091

! species:  5-methyl-3-hexanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    623-56-3
! inchikey: DXVYLFHTJZWTRF-UHFFFAOYSA-N
Hvpx_____623_56_3 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____623_56_3 =  1.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____623_56_3 =  1.5E+01                                  ! [atm] type: ?, ref: 3091

! species:  3-ethyl-2-pentanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    6137-03-7
! inchikey: GSNKRSKIWFBWEG-UHFFFAOYSA-N
Hvpx____6137_03_7 =  1.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6137_03_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____6137_03_7 =  1.6E+01                                  ! [atm] type: ?, ref: 3091

! species:  3,3-dimethyl-2-pentanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    20669-04-9
! inchikey: QSHJLBQLQVSEFV-UHFFFAOYSA-N
Hvpx___20669_04_9 =  1.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20669_04_9 =  1.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx___20669_04_9 =  1.2E+01                                  ! [atm] type: ?, ref: 3091

! species:  3,4-dimethyl-2-pentanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    565-78-6
! inchikey: QXHRQZNDMYRDPA-UHFFFAOYSA-N
Hvpx_____565_78_6 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____565_78_6 =  1.8E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____565_78_6 =  1.3E+01                                  ! [atm] type: ?, ref: 3091

! species:  4,4-dimethyl-2-pentanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    590-50-1
! inchikey: AZASWMGVGQEVCS-UHFFFAOYSA-N
Hvpx_____590_50_1 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____590_50_1 =  1.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____590_50_1 =  1.0E+01                                  ! [atm] type: ?, ref: 3091

! species:  2,2-dimethyl-3-pentanone
! formula:  C_7H_{14}O
! trivial:  
! casrn:    564-04-5
! inchikey: VLNUTKMHYLQCQB-UHFFFAOYSA-N
Hvpx_____564_04_5 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____564_04_5 =  1.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____564_04_5 =  1.0E+01                                  ! [atm] type: ?, ref: 3091

! species:  2,4-dimethyl-3-pentanone
! formula:  C_7H_{14}O
! trivial:  diisopropyl ketone
! casrn:    565-80-0
! inchikey: HXVNBWAKAOHACI-UHFFFAOYSA-N
Hvpx_____565_80_0 =  2.4E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____565_80_0 =  2.3E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3617
Hvpx_____565_80_0 =  2.0E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____565_80_0 =  1.3E+01                                  ! [atm] type: V, ref: 1910
Hvpx_____565_80_0 =  5.7E-01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx_____565_80_0 =  2.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____565_80_0 =  1.1E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____565_80_0 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_80_0 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_80_0 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____565_80_0 =  2.2E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____565_80_0 =  1.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____565_80_0 =  3.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____565_80_0 =  2.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____565_80_0 =  3.9E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____565_80_0 =  3.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____565_80_0 =  4.3E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____565_80_0 =  9.2E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____565_80_0 =  1.9E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____565_80_0 =  1.9E+01                                  ! [atm] type: ?, ref: 3091

! species:  cycloheptanone
! formula:  C_7H_{12}O
! trivial:  
! casrn:    502-42-1
! inchikey: CGZZMOTZOONQIA-UHFFFAOYSA-N
Hvpx_____502_42_1 =  7.8E-01                                  ! [atm] type: Q, ref: 2521

! species:  2-methylcyclohexanone
! formula:  C_7H_{12}O
! trivial:  
! casrn:    583-60-8
! inchikey: LFSAPCRASZRSKS-UHFFFAOYSA-N

! species:  3-methylcyclohexanone
! formula:  C_7H_{12}O
! trivial:  
! casrn:    591-24-2
! inchikey: UJBOOUHRTQVGRU-UHFFFAOYSA-N
Hvpx_____591_24_2 =  8.2E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____591_24_2 =  5.5E+00                                  ! [atm] type: Q, ref: 3586

! species:  4-methylcyclohexanone
! formula:  C_7H_{12}O
! trivial:  
! casrn:    589-92-4
! inchikey: VGVHNLRUAMRIEW-UHFFFAOYSA-N

! species:  dicyclopropylmethanone
! formula:  C_7H_{10}O
! trivial:  dicyclopropyl ketone
! casrn:    1121-37-5
! inchikey: BIPUHAHGLJKIPK-UHFFFAOYSA-N
Hvpx____1121_37_5 =  1.8E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016

! species:  2-octanone
! formula:  C_6H_{13}COCH_3
! trivial:  
! casrn:    111-13-7
! inchikey: ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
Hvpx_____111_13_7 =  1.1E+01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____111_13_7 =  9.4E+00                                  ! [atm] type: L, ref: 3617
Hvpx_____111_13_7 =  1.9E+01                                  ! [atm] type: M, ref: 3643
Hvpx_____111_13_7 =  1.7E+01                                  ! [atm] type: M, ref: 3670
Hvpx_____111_13_7 =  3.1E+01                                  ! [atm] type: M, ref: 3611
Hvpx_____111_13_7 =  1.0E+01                                  ! [atm] type: M, ref: 754
Hvpx_____111_13_7 =  1.1E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____111_13_7 =  1.1E+01                                  ! [atm] type: V, ref: 636
Hvpx_____111_13_7 =  1.0E+01                                  ! [atm] type: V, ref: 2234
Hvpx_____111_13_7 =  7.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____111_13_7 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_13_7 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_13_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_13_7 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_13_7 =  1.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_13_7 =  4.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_13_7 =  1.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_13_7 =  1.1E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_13_7 =  2.8E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_13_7 =  9.6E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____111_13_7 =  1.7E+01                                  ! [atm] type: Q, ref: 731
Hvpx_____111_13_7 =  1.0E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____111_13_7 =  1.0E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____111_13_7 =  1.0E+01                                  ! [atm] type: ?, ref: 2613
Hvpx_____111_13_7 =  5.7E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_13_7 =  3.7E+00                                  ! [atm] type: ?, ref: 3091
Hvpx_____111_13_7 =  1.1E+01                                  ! [atm] type: ?, ref: 1500

! species:  3-octanone
! formula:  C_8H_{16}O
! trivial:  
! casrn:    106-68-3
! inchikey: RHLVCLIPMVJYKS-UHFFFAOYSA-N
Hvpx_____106_68_3 =  1.3E+01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____106_68_3 =  1.9E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3719
Hvpx_____106_68_3 =  7.2E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____106_68_3 =  2.2E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_68_3 =  1.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_68_3 =  4.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_68_3 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_68_3 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_68_3 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_68_3 =  5.0E+00                                  ! [atm] type: Q, ref: 2530

! species:  4-octanone
! formula:  C_8H_{16}O
! trivial:  
! casrn:    589-63-9
! inchikey: YWXLSHOWXZUMSR-UHFFFAOYSA-N
Hvpx_____589_63_9 =  1.5E+01                                  ! [atm] type: Q, ref: 2521

! species:  5-methyl-3-heptanone
! formula:  C_8H_{16}O
! trivial:  
! casrn:    541-85-5
! inchikey: PSBKJPTZCVYXSD-UHFFFAOYSA-N
Hvpx_____541_85_5 =  1.1E+01                                  ! [atm] type: ?, ref: 3766

! species:  6-methyl-3-heptanone
! formula:  C_8H_{16}O
! trivial:  
! casrn:    624-42-0
! inchikey: CCCIYAQYQZQDIZ-UHFFFAOYSA-N
Hvpx_____624_42_0 =  1.5E+01                                  ! [atm] type: Q, ref: 3088

! species:  cyclohexyl methyl ketone
! formula:  C_6H_{11}COCH_3
! trivial:  
! casrn:    823-76-7
! inchikey: RIFKADJTWUGDOV-UHFFFAOYSA-N
Hvpx_____823_76_7 =  1.9E+00 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx_____823_76_7 =  7.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____823_76_7 =  5.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____823_76_7 =  1.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____823_76_7 =  1.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____823_76_7 =  2.4E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____823_76_7 =  1.7E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____823_76_7 =  1.9E+00                                  ! [atm] type: ?, ref: 3586

! species:  2-nonanone
! formula:  C_9H_{18}O
! trivial:  
! casrn:    821-55-6
! inchikey: VKCYHJWLYTUGCC-UHFFFAOYSA-N
Hvpx_____821_55_6 =  1.7E+01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____821_55_6 =  1.5E+01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3617
Hvpx_____821_55_6 =  1.3E+01                                  ! [atm] type: M, ref: 2457
Hvpx_____821_55_6 =  2.0E+01                                  ! [atm] type: M, ref: 754
Hvpx_____821_55_6 =  2.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____821_55_6 =  5.1E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____821_55_6 =  5.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____821_55_6 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____821_55_6 =  1.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____821_55_6 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____821_55_6 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____821_55_6 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____821_55_6 =  1.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____821_55_6 =  5.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____821_55_6 =  2.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____821_55_6 =  1.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____821_55_6 =  4.2E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____821_55_6 =  1.2E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____821_55_6 =  1.4E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____821_55_6 =  2.0E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____821_55_6 =  1.9E+01                                  ! [atm] type: ?, ref: 3091
Hvpx_____821_55_6 =  2.0E+01                                  ! [atm] type: ?, ref: 1500

! species:  3-nonanone
! formula:  C_9H_{18}O
! trivial:  
! casrn:    925-78-0
! inchikey: IYTXKIXETAELAV-UHFFFAOYSA-N
Hvpx_____925_78_0 =  1.1E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____925_78_0 =  2.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____925_78_0 =  1.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____925_78_0 =  4.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  5-nonanone
! formula:  C_9H_{18}O
! trivial:  dibutyl ketone
! casrn:    502-56-7
! inchikey: WSGCRAOTEDLMFQ-UHFFFAOYSA-N
Hvpx_____502_56_7 =  1.4E+01 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____502_56_7 =  1.6E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____502_56_7 =  1.5E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____502_56_7 =  1.6E+01                                  ! [atm] type: V, ref: 1145
Hvpx_____502_56_7 =  1.5E+01                                  ! [atm] type: V, ref: 1910
Hvpx_____502_56_7 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____502_56_7 =  2.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____502_56_7 =  6.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____502_56_7 =  2.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____502_56_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____502_56_7 =  1.2E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____502_56_7 =  1.5E+01                                  ! [atm] type: Q, ref: 1145
Hvpx_____502_56_7 =  1.6E+01                                  ! [atm] type: ?, ref: 3091
Hvpx_____502_56_7 =  1.6E+01                                  ! [atm] type: ?, ref: 1500

! species:  2,6-dimethyl-4-heptanone
! formula:  C_9H_{18}O
! trivial:  diisobutyl ketone
! casrn:    108-83-8
! inchikey: PTTPXKJBFFKCEK-UHFFFAOYSA-N
Hvpx_____108_83_8 =  4.2E+01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_83_8 =  4.1E+01                                  ! [atm] type: L, ref: 3617
Hvpx_____108_83_8 =  6.5E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____108_83_8 =  6.6E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____108_83_8 =  1.1E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_83_8 =  1.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_83_8 =  4.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_83_8 =  6.3E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_83_8 =  4.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_83_8 =  6.6E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_83_8 =  5.9E+00                                  ! [atm] type: ?, ref: 3091

! species:  2,2,4,4-tetramethyl-3-pentanone
! formula:  C_9H_{18}O
! trivial:  di-({\it tert}-butyl) ketone
! casrn:    815-24-7
! inchikey: UIQGEWJEWJMQSL-UHFFFAOYSA-N
Hvpx_____815_24_7 =  2.3E+01                                  ! [atm] type: T, ref: 2016

! species:  2-decanone
! formula:  C_8H_{17}COCH_3
! trivial:  
! casrn:    693-54-9
! inchikey: ZAJNGDIORYACQU-UHFFFAOYSA-N
Hvpx_____693_54_9 =  3.1E+01                                  ! [atm] type: M, ref: 3643
Hvpx_____693_54_9 =  3.6E+01                                  ! [atm] type: M, ref: 3670
Hvpx_____693_54_9 =  3.6E+01                                  ! [atm] type: M, ref: 3611
Hvpx_____693_54_9 =  2.6E+01                                  ! [atm] type: V, ref: 1497
Hvpx_____693_54_9 =  3.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____693_54_9 =  5.9E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____693_54_9 =  1.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____693_54_9 =  1.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____693_54_9 =  6.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____693_54_9 =  2.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____693_54_9 =  1.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____693_54_9 =  4.0E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____693_54_9 =  3.8E+01                                  ! [atm] type: ?, ref: 3091
Hvpx_____693_54_9 =  2.6E+01                                  ! [atm] type: ?, ref: 1500

! species:  2-undecanone
! formula:  C_9H_{19}COCH_3
! trivial:  
! casrn:    112-12-9
! inchikey: KYWIYKKSMDLRDC-UHFFFAOYSA-N
Hvpx_____112_12_9 =  2.9E+01                                  ! [atm] type: L, ref: 3617
Hvpx_____112_12_9 =  3.5E+01                                  ! [atm] type: M, ref: 754
Hvpx_____112_12_9 =  3.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_12_9 =  3.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_12_9 =  7.1E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____112_12_9 =  3.1E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____112_12_9 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____112_12_9 =  3.6E+01                                  ! [atm] type: Q, ref: 3689
Hvpx_____112_12_9 =  1.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____112_12_9 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_12_9 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_12_9 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_12_9 =  2.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____112_12_9 =  2.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_12_9 =  8.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____112_12_9 =  3.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____112_12_9 =  2.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____112_12_9 =  4.6E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____112_12_9 =  2.0E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____112_12_9 =  2.3E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____112_12_9 =  3.5E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____112_12_9 =  9.4E+01                                  ! [atm] type: ?, ref: 3091
Hvpx_____112_12_9 =  3.6E+01                                  ! [atm] type: ?, ref: 1500

! species:  6-undecanone
! formula:  C_{11}H_{22}O
! trivial:  
! casrn:    927-49-1
! inchikey: ZPQAKYPOZRXKFA-UHFFFAOYSA-N
Hvpx_____927_49_1 =  3.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____927_49_1 =  7.9E+00                                  ! [atm] type: Q, ref: 2530

! species:  2-dodecanone
! formula:  C_{12}H_{24}O
! trivial:  
! casrn:    6175-49-1
! inchikey: LSKONYYRONEBKA-UHFFFAOYSA-N
Hvpx____6175_49_1 =  1.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____6175_49_1 =  2.7E+02                                  ! [atm] type: ?, ref: 3091

! species:  2,6,8-trimethyl-4-nonanone
! formula:  C_{12}H_{24}O
! trivial:  
! casrn:    123-18-2
! inchikey: GFWVDQCGGDBTBS-UHFFFAOYSA-N

! species:  2-tridecanone
! formula:  C_{13}H_{26}O
! trivial:  
! casrn:    593-08-8
! inchikey: CYIFVRUOHKNECG-UHFFFAOYSA-N
Hvpx_____593_08_8 =  1.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____593_08_8 =  8.2E+02                                  ! [atm] type: ?, ref: 3091

! species:  2-tetradecanone
! formula:  C_{14}H_{28}O
! trivial:  
! casrn:    2345-27-9
! inchikey: POQLVOYRGNFGRM-UHFFFAOYSA-N
Hvpx____2345_27_9 =  1.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____2345_27_9 =  2.6E+03                                  ! [atm] type: ?, ref: 3091

! species:  2-pentadecanone
! formula:  C_{15}H_{30}O
! trivial:  
! casrn:    2345-28-0
! inchikey: CJPNOLIZCWDHJK-UHFFFAOYSA-N
Hvpx____2345_28_0 =  1.0E+04                                  ! [atm] type: ?, ref: 3091

! species:  2-hexadecanone
! formula:  C_{16}H_{32}O
! trivial:  
! casrn:    18787-63-8
! inchikey: XCXKZBWAKKPFCJ-UHFFFAOYSA-N
Hvpx___18787_63_8 =  3.2E+04                                  ! [atm] type: ?, ref: 3091

! species:  2-heptadecanone
! formula:  C_{17}H_{34}O
! trivial:  
! casrn:    2922-51-2
! inchikey: TVTCXPXLRKTHAU-UHFFFAOYSA-N
Hvpx____2922_51_2 =  1.4E+05                                  ! [atm] type: ?, ref: 3091

! species:  menthone
! formula:  C_{10}H_{18}O
! trivial:  
! casrn:    89-80-5
! inchikey: NFLGAXVYCFJBMK-UHFFFAOYSA-N
Hvpx______89_80_5 =  9.6E+00                                  ! [atm] type: M, ref: 2964
Hvpx______89_80_5 =  1.1E+01                                  ! [atm] type: V, ref: 2964
Hvpx______89_80_5 =  8.9E+00                                  ! [atm] type: Q, ref: 3088
Hvpx______89_80_5 =  9.3E+00                                  ! [atm] type: Q, ref: 2964

! species:  tricyclo[3.3.1.1(3,7)]decanone
! formula:  C_{10}H_{14}O
! trivial:  2-adamantanone
! casrn:    700-58-3
! inchikey: IYKFYARMMIESOX-UHFFFAOYSA-N
Hvpx_____700_58_3 =  3.9E-01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125
Hvpx_____700_58_3 =  7.3E-01                                  ! [atm] type: V, ref: 1910

! species:  methyl cedryl ketone
! formula:  C_{17}H_{26}O
! trivial:  
! casrn:    32388-55-9
! inchikey: YBUIAJZFOGJGLJ-SWRJLBSHSA-N
Hvpx___32388_55_9 =  9.0E-02                                  ! [atm] type: Q, ref: 3682

! species:  3-buten-2-one
! formula:  C_4H_6O
! trivial:  methyl vinyl ketone; MVK
! casrn:    78-94-4
! inchikey: FUSUHKVFWTUUBE-UHFFFAOYSA-N
Hvpx______78_94_4 =  1.3E+00                                  ! [atm] type: L, ref: 3500
Hvpx______78_94_4 =  1.3E+00                                  ! [atm] type: L, ref: 3245
Hvpx______78_94_4 =  2.1E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2524
Hvpx______78_94_4 =  1.3E+00                                  ! [atm] type: M, ref: 1004
Hvpx______78_94_4 =  2.6E+00 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: M, ref: 985
Hvpx______78_94_4 =  3.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______78_94_4 =  4.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______78_94_4 =  3.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______78_94_4 =  1.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______78_94_4 =  7.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______78_94_4 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______78_94_4 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______78_94_4 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______78_94_4 =  3.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______78_94_4 =  7.7E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______78_94_4 =  2.6E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______78_94_4 =  1.3E+00                                  ! [atm] type: ?, ref: 495

! species:  methyl isopropenyl ketone
! formula:  C_5H_8O
! trivial:  
! casrn:    814-78-8
! inchikey: ZGHFDIIVVIFNPS-UHFFFAOYSA-N
Hvpx_____814_78_8 =  5.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____814_78_8 =  1.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____814_78_8 =  5.6E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____814_78_8 =  1.0E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____814_78_8 =  5.5E+00                                  ! [atm] type: ?, ref: 2440

! species:  4-methyl-3-penten-2-one
! formula:  C_6H_{10}O
! trivial:  mesityl oxide
! casrn:    141-79-7
! inchikey: SHOJXDKTYKFBRD-UHFFFAOYSA-N
Hvpx_____141_79_7 =  2.0E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____141_79_7 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_79_7 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_79_7 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_79_7 =  3.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____141_79_7 =  2.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____141_79_7 =  2.7E+00                                  ! [atm] type: ?, ref: 2440

! species:  1-phenylethanone
! formula:  C_6H_5COCH_3
! trivial:  acetophenone
! casrn:    98-86-2
! inchikey: KWOLFJPFCHCOCG-UHFFFAOYSA-N
Hvpx______98_86_2 =  4.9E-01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______98_86_2 =  5.0E-01 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______98_86_2 =  5.6E-01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______98_86_2 =  4.4E-01 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724
Hvpx______98_86_2 =  5.7E-01 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: M, ref: 985
Hvpx______98_86_2 =  5.9E-01                                  ! [atm] type: M, ref: 2339
Hvpx______98_86_2 =  5.0E-01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 495
Hvpx______98_86_2 =  5.4E-01                                  ! [atm] type: V, ref: 2613
Hvpx______98_86_2 =  5.4E-01                                  ! [atm] type: V, ref: 2339
Hvpx______98_86_2 =  5.4E-01                                  ! [atm] type: V, ref: 636
Hvpx______98_86_2 =  5.9E-01                                  ! [atm] type: V, ref: 642
Hvpx______98_86_2 =  5.7E-01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx______98_86_2 =  5.1E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______98_86_2 =  5.9E-01                                  ! [atm] type: C, ref: 2165
Hvpx______98_86_2 =  3.0E-01                                  ! [atm] type: Q, ref: 3682
Hvpx______98_86_2 =  7.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______98_86_2 =  2.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______98_86_2 =  2.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______98_86_2 =  2.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______98_86_2 =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______98_86_2 =  5.9E-01                                  ! [atm] type: Q, ref: 3689
Hvpx______98_86_2 =  4.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______98_86_2 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______98_86_2 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______98_86_2 =  4.8E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______98_86_2 =  1.9E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______98_86_2 =  5.4E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______98_86_2 =  5.1E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______98_86_2 =  2.8E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______98_86_2 =  1.0E+00                                  ! [atm] type: Q, ref: 984
Hvpx______98_86_2 =  5.9E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______98_86_2 =  5.8E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______98_86_2 =  5.0E-01                                  ! [atm] type: ?, ref: 2440
Hvpx______98_86_2 =  5.9E-01                                  ! [atm] type: ?, ref: 1500

! species:  1-phenylethanone-d5
! formula:  C_6D_5COCH_3
! trivial:  acetophenone-d5
! casrn:    28077-64-7
! inchikey: KWOLFJPFCHCOCG-VIQYUKPQSA-N
Hvpx___28077_64_7 =  2.3E-01 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  4-methoxy-4-methyl-2-pentanone
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    107-70-0
! inchikey: KOKPBCHLPVDQTK-UHFFFAOYSA-N
Hvpx_____107_70_0 =  1.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____107_70_0 =  1.1E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____107_70_0 =  2.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_70_0 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_70_0 =  2.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_70_0 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_70_0 =  3.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_70_0 =  2.3E-01                                  ! [atm] type: Q, ref: 2530

! species:  2′-hydroxyacetophenone
! formula:  C_8H_8O_2
! trivial:  
! casrn:    118-93-4
! inchikey: JECYUBVRTQDVAT-UHFFFAOYSA-N
Hvpx_____118_93_4 =  5.4E-01 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724

! species:  6-methyl-5-hepten-2-one
! formula:  C_8H_{14}O
! trivial:  
! casrn:    110-93-0
! inchikey: UHEPJGULSIKKTP-UHFFFAOYSA-N
Hvpx_____110_93_0 =  4.6E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3776
Hvpx_____110_93_0 =  2.2E+00                                  ! [atm] type: Q, ref: 3682

! species:  phenyl ethyl ketone
! formula:  C_9H_{10}O
! trivial:  propiophenone
! casrn:    93-55-0
! inchikey: KRIOVPPHQSLHCZ-UHFFFAOYSA-N
Hvpx______93_55_0 =  5.5E-01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724
Hvpx______93_55_0 =  8.3E-01                                  ! [atm] type: V, ref: 3586
Hvpx______93_55_0 =  7.2E+00                                  ! [atm] type: V, ref: 3088
Hvpx______93_55_0 =  2.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______93_55_0 =  2.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______93_55_0 =  3.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______93_55_0 =  6.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______93_55_0 =  7.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______93_55_0 =  7.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______93_55_0 =  3.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______93_55_0 =  5.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______93_55_0 =  6.3E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______93_55_0 =  6.8E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______93_55_0 =  6.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______93_55_0 =  1.9E+00                                  ! [atm] type: Q, ref: 3764

! species:  2′-methylacetophenone
! formula:  C_9H_{10}O
! trivial:  
! casrn:    577-16-2
! inchikey: YXWWHNCQZBVZPV-UHFFFAOYSA-N
Hvpx_____577_16_2 =  7.2E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724
Hvpx_____577_16_2 =  4.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____577_16_2 =  2.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____577_16_2 =  4.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  3′-methylacetophenone
! formula:  C_9H_{10}O
! trivial:  
! casrn:    585-74-0
! inchikey: FSPSELPMWGWDRY-UHFFFAOYSA-N
Hvpx_____585_74_0 =  3.6E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724

! species:  4'-methylacetophenone
! formula:  C_9H_{10}O
! trivial:  
! casrn:    122-00-9
! inchikey: GNKZMNRKLCTJAY-UHFFFAOYSA-N
Hvpx_____122_00_9 =  3.0E-01 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724
Hvpx_____122_00_9 =  4.8E-01                                  ! [atm] type: R, ref: 1501
Hvpx_____122_00_9 =  1.3E-01                                  ! [atm] type: Q, ref: 3521
Hvpx_____122_00_9 =  4.6E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____122_00_9 =  4.7E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____122_00_9 =  5.8E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____122_00_9 =  1.5E+00                                  ! [atm] type: Q, ref: 984

! species:  2′-methoxyacetophenone
! formula:  C_9H_{10}O_2
! trivial:  2-methoxyphenyl methyl ketone
! casrn:    579-74-8
! inchikey: DWPLEOPKBWNPQV-UHFFFAOYSA-N
Hvpx_____579_74_8 =  3.2E-02 * EXP(  -9500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724

! species:  3′-methoxyacetophenone
! formula:  C_9H_{10}O_2
! trivial:  3-methoxyphenyl methyl ketone
! casrn:    586-37-8
! inchikey: BAYUSCHCCGXLAY-UHFFFAOYSA-N
Hvpx_____586_37_8 =  2.8E-02 * EXP(  -9400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3724

! species:  4′-methoxyacetophenone
! formula:  C_9H_{10}O_2
! trivial:  4-methoxyphenyl methyl ketone
! casrn:    100-06-1
! inchikey: NTPLXRHDUXRPNE-UHFFFAOYSA-N
Hvpx_____100_06_1 =  8.0E-01                                  ! [atm] type: T, ref: 2016
Hvpx_____100_06_1 =  8.0E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_06_1 =  4.0E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____100_06_1 =  4.2E-01                                  ! [atm] type: Q, ref: 984

! species:  2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one
! formula:  C_{10}H_{14}O
! trivial:  carvone
! casrn:    6485-40-1
! inchikey: ULDHMXUKGWMISQ-SECBINFHSA-N
Hvpx____6485_40_1 =  1.1E+00                                  ! [atm] type: M, ref: 2388
Hvpx____6485_40_1 =  9.9E-01                                  ! [atm] type: V, ref: 2388
Hvpx____6485_40_1 =  6.8E-01                                  ! [atm] type: Q, ref: 2521

! species:  benzophenone
! formula:  C_{13}H_{10}O
! trivial:  diphenyl ketone
! casrn:    119-61-9
! inchikey: RWCCWEUUXYIKHB-UHFFFAOYSA-N
Hvpx_____119_61_9 =  3.2E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____119_61_9 =  8.9E-02 * EXP(  -9400.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx_____119_61_9 =  3.2E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____119_61_9 =  5.7E-02                                  ! [atm] type: Q, ref: 3682
Hvpx_____119_61_9 =  1.1E-01                                  ! [atm] type: Q, ref: 3088
Hvpx_____119_61_9 =  1.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____119_61_9 =  1.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____119_61_9 =  1.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____119_61_9 =  1.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____119_61_9 =  3.2E-01                                  ! [atm] type: ?, ref: 2440

! species:  2,4-dihydroxybenzophenone
! formula:  C_{13}H_{10}O_3
! trivial:  
! casrn:    131-56-6
! inchikey: ZXDDPOHVAMWLBH-UHFFFAOYSA-N
Hvpx_____131_56_6 =  1.2E-06                                  ! [atm] type: Q, ref: 3627

! species:  3,5,5-trimethyl-2-cyclohexen-1-one
! formula:  C_9H_{14}O
! trivial:  isophorone
! casrn:    78-59-1
! inchikey: HJOVHMDZYOCNQW-UHFFFAOYSA-N
Hvpx______78_59_1 =  3.7E-01                                  ! [atm] type: V, ref: 3586
Hvpx______78_59_1 =  3.7E-01                                  ! [atm] type: V, ref: 3088
Hvpx______78_59_1 =  3.1E-01                                  ! [atm] type: V, ref: 2614
Hvpx______78_59_1 =  3.2E-01                                  ! [atm] type: V, ref: 2439
Hvpx______78_59_1 =  3.2E-01                                  ! [atm] type: V, ref: 1157
Hvpx______78_59_1 =  3.2E-01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______78_59_1 =  3.0E-01                                  ! [atm] type: C, ref: 1157
Hvpx______78_59_1 =  3.2E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______78_59_1 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______78_59_1 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______78_59_1 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______78_59_1 =  8.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______78_59_1 =  4.2E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______78_59_1 =  3.6E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______78_59_1 =  4.5E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______78_59_1 =  3.6E-01                                  ! [atm] type: ?, ref: 2440

! species:  bicyclo[2.2.1]heptan-2-one
! formula:  C_7H_{10}O
! trivial:  norcamphor; 2-norbornanone
! casrn:    497-38-1
! inchikey: KPMKEVXVVHNIEY-UHFFFAOYSA-N
Hvpx_____497_38_1 =  1.3E+00 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125

! species:  4-methyl-1-(1-methylethyl)-bicyclo[3.1.0]hexan-3-one
! formula:  C_{10}H_{16}O
! trivial:  thujone
! casrn:    1125-12-8
! inchikey: USMNOWBWPHYOEA-UHFFFAOYSA-N
Hvpx____1125_12_8 =  5.3E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125

! species:  isopropyl phenyl ketone
! formula:  C_{10}H_{12}O
! trivial:  
! casrn:    611-70-1
! inchikey: BSMGLVDZZMBWQB-UHFFFAOYSA-N
Hvpx_____611_70_1 =  9.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____611_70_1 =  1.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____611_70_1 =  3.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____611_70_1 =  6.6E-01                                  ! [atm] type: Q, ref: 2995

! species:  carvone
! formula:  C_{10}H_{14}O
! trivial:  
! casrn:    99-49-0
! inchikey: ULDHMXUKGWMISQ-UHFFFAOYSA-N
Hvpx______99_49_0 =  4.3E+00                                  ! [atm] type: Q, ref: 3088

! species:  thujone
! formula:  C_{10}H_{16}O
! trivial:  
! casrn:    76231-76-0
! inchikey: USMNOWBWPHYOEA-VWHDNNRLSA-N
Hvpx___76231_76_0 =  8.9E-01                                  ! [atm] type: Q, ref: 3088

! species:  {\it cis}-jasmone
! formula:  C_{11}H_{16}O
! trivial:  
! casrn:    488-10-8
! inchikey: XMLSXPIVAXONDL-PLNGDYQASA-N
Hvpx_____488_10_8 =  1.1E-01                                  ! [atm] type: Q, ref: 3682

! species:  $\alpha$-damascone
! formula:  C_{13}H_{20}O
! trivial:  
! casrn:    24720-09-0
! inchikey: CRIGTVCBMUKRSL-FNORWQNLSA-N
Hvpx___24720_09_0 =  2.5E-02                                  ! [atm] type: Q, ref: 3521

! species:  ($E$)-$\beta$-damascenone
! formula:  C_{13}H_{18}O
! trivial:  
! casrn:    23726-93-4
! inchikey: POIARNZEYGURDG-FNORWQNLSA-N
Hvpx___23726_93_4 =  1.7E+00 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3215

! species:  9H-fluoren-9-one
! formula:  C_{13}H_8O
! trivial:  
! casrn:    486-25-9
! inchikey: YLQWCDOCJODRMT-UHFFFAOYSA-N
Hvpx_____486_25_9 =  8.5E-02                                  ! [atm] type: Q, ref: 3627
Hvpx_____486_25_9 =  3.8E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____486_25_9 =  2.4E-02                                  ! [atm] type: Q, ref: 3400

! species:  anthrone
! formula:  C_{14}H_{10}O
! trivial:  
! casrn:    90-44-8
! inchikey: RJGDLRCDCYRQOQ-UHFFFAOYSA-N
Hvpx______90_44_8 =  4.4E-02                                  ! [atm] type: Q, ref: 3088

! species:  1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one
! formula:  C_{14}H_{22}O
! trivial:  
! casrn:    33704-61-9
! inchikey: MIZGSAALSYARKU-UHFFFAOYSA-N
Hvpx___33704_61_9 =  7.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___33704_61_9 =  8.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___33704_61_9 =  2.7E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___33704_61_9 =  1.1E+01                                  ! [atm] type: Q, ref: 2995

! species:  benzoin
! formula:  C_{14}H_{12}O_2
! trivial:  
! casrn:    119-53-9
! inchikey: ISAOCJYIOMOJEB-UHFFFAOYSA-N
Hvpx_____119_53_9 =  2.5E-06                                  ! [atm] type: Q, ref: 3627

! species:  methyl-alpha-ionone
! formula:  C_{14}H_{22}O
! trivial:  
! casrn:    93302-56-8
! inchikey: VPKMGDRERYMTJX-XEHSLEBBSA-N
Hvpx___93302_56_8 =  4.7E-01                                  ! [atm] type: Q, ref: 3682

! species:  iso-e super
! formula:  C_{16}H_{26}O
! trivial:  
! casrn:    54464-57-2
! inchikey: FVUGZKDGWGKCFE-UHFFFAOYSA-N
Hvpx___54464_57_2 =  9.9E-01                                  ! [atm] type: Q, ref: 3682

! species:  2,4,6-trimethylbenzophenone
! formula:  C_{16}H_{16}O
! trivial:  
! casrn:    954-16-5
! inchikey: HPAFOABSQZMTHE-UHFFFAOYSA-N
Hvpx_____954_16_5 =  1.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____954_16_5 =  1.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____954_16_5 =  3.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____954_16_5 =  9.2E-02                                  ! [atm] type: Q, ref: 2995

! species:  1-(1,2,3,5,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one
! formula:  C_{16}H_{26}O
! trivial:  
! casrn:    68155-66-8
! inchikey: NOMWSTMYQKABST-UHFFFAOYSA-N
Hvpx___68155_66_8 =  2.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___68155_66_8 =  1.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68155_66_8 =  5.1E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___68155_66_8 =  1.4E+01                                  ! [atm] type: Q, ref: 2995

! species:  civetone
! formula:  C_{17}H_{30}O
! trivial:  
! casrn:    542-46-1
! inchikey: ZKVZSBSZTMPBQR-UPHRSURJSA-N
Hvpx_____542_46_1 =  1.8E-01                                  ! [atm] type: Q, ref: 3682

! species:  1-(2,3-dihydro-1,1,2,3,3,6-hexamethyl-1H-inden-5-yl)ethanone
! formula:  C_{17}H_{24}O
! trivial:  
! casrn:    15323-35-0
! inchikey: VDBHOHJWUDKDRW-UHFFFAOYSA-N
Hvpx___15323_35_0 =  1.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___15323_35_0 =  2.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___15323_35_0 =  1.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___15323_35_0 =  5.5E+00                                  ! [atm] type: Q, ref: 2995

! species:  celestolide
! formula:  C_{17}H_{24}O
! trivial:  
! casrn:    13171-00-1
! inchikey: IKTHMQYJOWTSJO-UHFFFAOYSA-N
Hvpx___13171_00_1 =  1.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___13171_00_1 =  2.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___13171_00_1 =  1.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___13171_00_1 =  6.2E+00                                  ! [atm] type: Q, ref: 2995

! species:  7H-benz[$de$]anthracen-7-one
! formula:  C_{17}H_{10}O
! trivial:  benzanthrone
! casrn:    82-05-3
! inchikey: HUKPVYBUJRAUAG-UHFFFAOYSA-N
Hvpx______82_05_3 =  3.7E-03                                  ! [atm] type: Q, ref: 3088
Hvpx______82_05_3 =  6.8E-04                                  ! [atm] type: Q, ref: 3400

! species:  11H-benzo[$a$]fluoren-11-one
! formula:  C_{17}H_{10}O
! trivial:  
! casrn:    479-79-8
! inchikey: RNICURKFVSAHLQ-UHFFFAOYSA-N
Hvpx_____479_79_8 =  7.6E-03                                  ! [atm] type: Q, ref: 3400

! species:  11H-benzo[$b$]fluoren-11-one
! formula:  C_{17}H_{10}O
! trivial:  
! casrn:    3074-03-1
! inchikey: MLMNDNOSVOKYMT-UHFFFAOYSA-N
Hvpx____3074_03_1 =  1.0E-05                                  ! [atm] type: Q, ref: 3400

! species:  benz[$a$]anthracene-7,12-dione
! formula:  C_{18}H_{10}O_2
! trivial:  
! casrn:    2498-66-0
! inchikey: LHMRXAIRPKSGDE-UHFFFAOYSA-N
Hvpx____2498_66_0 =  1.3E-03                                  ! [atm] type: Q, ref: 3400

! species:  1-[2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]ethanone
! formula:  C_{18}H_{26}O
! trivial:  
! casrn:    68140-48-7
! inchikey: IMRYETFJNLKUHK-UHFFFAOYSA-N
Hvpx___68140_48_7 =  2.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68140_48_7 =  1.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___68140_48_7 =  1.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___68140_48_7 =  4.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  tonalide
! formula:  C_{18}H_{26}O
! trivial:  
! casrn:    21145-77-7
! inchikey: DNRJTBAOUJJKDY-UHFFFAOYSA-N
Hvpx___21145_77_7 =  7.7E+00                                  ! [atm] type: V, ref: 3088
Hvpx___21145_77_7 =  2.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___21145_77_7 =  2.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___21145_77_7 =  6.9E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___21145_77_7 =  6.9E+00                                  ! [atm] type: Q, ref: 2995

! species:  2,3-butanedione
! formula:  CH_3COCOCH_3
! trivial:  diacetyl; dimethylglyoxal
! casrn:    431-03-8
! inchikey: QSJXEFYPDANLFS-UHFFFAOYSA-N
Hvpx_____431_03_8 =  7.5E-01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____431_03_8 =  7.5E-01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____431_03_8 =  7.5E-01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____431_03_8 =  3.8E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3776
Hvpx_____431_03_8 =  1.3E+00 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3215
Hvpx_____431_03_8 =  9.7E-01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1571
Hvpx_____431_03_8 =  9.8E-01                                  ! [atm] type: M, ref: 1937
Hvpx_____431_03_8 =  2.6E+00                                  ! [atm] type: M, ref: 3643
Hvpx_____431_03_8 =  2.7E+00                                  ! [atm] type: M, ref: 3670
Hvpx_____431_03_8 =  2.7E+00                                  ! [atm] type: M, ref: 3611
Hvpx_____431_03_8 =  5.3E-01                                  ! [atm] type: M, ref: 2964
Hvpx_____431_03_8 =  1.5E+00                                  ! [atm] type: M, ref: 2389
Hvpx_____431_03_8 =  6.0E-01                                  ! [atm] type: M, ref: 3647
Hvpx_____431_03_8 =  7.5E-01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 495
Hvpx_____431_03_8 =  9.7E-01                                  ! [atm] type: M, ref: 483
Hvpx_____431_03_8 =  9.0E-01                                  ! [atm] type: V, ref: 2964
Hvpx_____431_03_8 =  2.9E-01                                  ! [atm] type: X, ref: gaffney84
Hvpx_____431_03_8 =  2.9E-01                                  ! [atm] type: X, ref: gaffney84
Hvpx_____431_03_8 =  3.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____431_03_8 =  2.4E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____431_03_8 =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____431_03_8 =  6.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____431_03_8 =  2.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____431_03_8 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____431_03_8 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____431_03_8 =  1.1E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____431_03_8 =  1.5E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____431_03_8 =  4.0E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____431_03_8 =  7.7E-01                                  ! [atm] type: Q, ref: 2964
Hvpx_____431_03_8 =  7.4E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,3-pentanedione
! formula:  C_5H_8O_2
! trivial:  
! casrn:    600-14-6
! inchikey: TZMFJUDUGYTVRY-UHFFFAOYSA-N
Hvpx_____600_14_6 =  4.2E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3776
Hvpx_____600_14_6 =  1.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____600_14_6 =  6.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____600_14_6 =  3.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  2,4-pentanedione
! formula:  C_5H_8O_2
! trivial:  acetylacetone
! casrn:    123-54-6
! inchikey: YRKCREAYFQTBPV-UHFFFAOYSA-N
Hvpx_____123_54_6 =  6.4E-01 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____123_54_6 =  3.6E-01                                  ! [atm] type: M, ref: 3532
Hvpx_____123_54_6 =  5.5E-01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3609
Hvpx_____123_54_6 =  3.2E-01                                  ! [atm] type: M, ref: 2448
Hvpx_____123_54_6 =  1.3E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____123_54_6 =  1.8E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_54_6 =  1.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_54_6 =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_54_6 =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_54_6 =  1.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_54_6 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_54_6 =  2.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_54_6 =  1.7E-01                                  ! [atm] type: Q, ref: 3579
Hvpx_____123_54_6 =  3.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_54_6 =  5.1E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_54_6 =  5.0E-02                                  ! [atm] type: Q, ref: 3731
Hvpx_____123_54_6 =  2.5E-01                                  ! [atm] type: ?, ref: 2440

! species:  1,2-naphthalenedione
! formula:  C_{10}H_6O_2
! trivial:  
! casrn:    524-42-5
! inchikey: KETQAJRQOHHATG-UHFFFAOYSA-N
Hvpx_____524_42_5 =  2.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  1,4-naphthalenedione
! formula:  C_{10}H_6O_2
! trivial:  1,4-naphthoquinone
! casrn:    130-15-4
! inchikey: FRASJONUBLZVQX-UHFFFAOYSA-N
Hvpx_____130_15_4 =  1.1E-04                                  ! [atm] type: Q, ref: 3088
Hvpx_____130_15_4 =  3.5E-03                                  ! [atm] type: Q, ref: 3400

! species:  menadione
! formula:  C_{11}H_8O_2
! trivial:  
! casrn:    58-27-5
! inchikey: MJVAVZPDRWSRRC-UHFFFAOYSA-N
Hvpx______58_27_5 =  1.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  2,6-di-{\it tert}-butyl-$p$-benzoquinone
! formula:  C_{14}H_{20}O_2
! trivial:  
! casrn:    719-22-2
! inchikey: RDQSIADLBQFVMY-UHFFFAOYSA-N
Hvpx_____719_22_2 =  8.9E-04                                  ! [atm] type: Q, ref: 3088

! species:  9,10-phenanthrenedione
! formula:  C_{14}H_8O_2
! trivial:  
! casrn:    84-11-7
! inchikey: YYVYAPXYZVYDHN-UHFFFAOYSA-N
Hvpx______84_11_7 =  1.5E-04                                  ! [atm] type: Q, ref: 3088

! species:  9,10-anthracenedione
! formula:  C_{14}H_8O_2
! trivial:  
! casrn:    84-65-1
! inchikey: RZVHIXYEVGDQDX-UHFFFAOYSA-N
Hvpx______84_65_1 =  1.3E-03                                  ! [atm] type: V, ref: 3586
Hvpx______84_65_1 =  1.3E-03                                  ! [atm] type: V, ref: 3088
Hvpx______84_65_1 =  5.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______84_65_1 =  1.1E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______84_65_1 =  3.4E-03                                  ! [atm] type: Q, ref: 3400
Hvpx______84_65_1 =  1.7E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______84_65_1 =  9.8E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______84_65_1 =  3.2E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______84_65_1 =  2.1E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______84_65_1 =  5.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  2-hydroxy-9,10-anthracenedione
! formula:  C_{14}H_8O_3
! trivial:  
! casrn:    605-32-3
! inchikey: GCDBEYOJCZLKMC-UHFFFAOYSA-N
Hvpx_____605_32_3 =  1.0E-06                                  ! [atm] type: V, ref: 3586
Hvpx_____605_32_3 =  2.0E-07                                  ! [atm] type: Q, ref: 3586

! species:  1,4-dihydroxy-9,10-anthracenedione
! formula:  C_{14}H_8O_4
! trivial:  
! casrn:    81-64-1
! inchikey: GUEIZVNYDFNHJU-UHFFFAOYSA-N
Hvpx______81_64_1 =  4.4E-03                                  ! [atm] type: V, ref: 3586
Hvpx______81_64_1 =  3.9E-05                                  ! [atm] type: Q, ref: 3586

! species:  benzil
! formula:  C_{14}H_{10}O_2
! trivial:  
! casrn:    134-81-6
! inchikey: WURBFLDFSFBTLW-UHFFFAOYSA-N
Hvpx_____134_81_6 =  1.8E-02                                  ! [atm] type: Q, ref: 3627

! species:  dibenzoylmethane
! formula:  C_{15}H_{12}O_2
! trivial:  
! casrn:    120-46-7
! inchikey: NZZIMKJIVMHWJC-UHFFFAOYSA-N
Hvpx_____120_46_7 =  7.3E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_46_7 =  6.8E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_46_7 =  8.0E-06                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_46_7 =  4.1E-05                                  ! [atm] type: Q, ref: 2995

! species:  2-methyl-9,10-anthracenedione
! formula:  C_{15}H_{10}O_2
! trivial:  
! casrn:    84-54-8
! inchikey: NJWGQARXZDRHCD-UHFFFAOYSA-N
Hvpx______84_54_8 =  2.2E-03                                  ! [atm] type: Q, ref: 3400

! species:  2-ethyl-9,10-anthracenedione
! formula:  C_{16}H_{12}O_2
! trivial:  
! casrn:    84-51-5
! inchikey: SJEBAWHUJDUKQK-UHFFFAOYSA-N
Hvpx______84_51_5 =  2.1E-02                                  ! [atm] type: Q, ref: 3627
Hvpx______84_51_5 =  2.6E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______84_51_5 =  1.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______84_51_5 =  3.5E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______84_51_5 =  4.9E-05                                  ! [atm] type: Q, ref: 2995

! species:  diphenadione
! formula:  C_{23}H_{16}O_3
! trivial:  
! casrn:    82-66-6
! inchikey: JYGLAHSAISAEAL-UHFFFAOYSA-N
Hvpx______82_66_6 =  8.5E-06                                  ! [atm] type: V, ref: 3586
Hvpx______82_66_6 =  1.9E-05                                  ! [atm] type: Q, ref: 3586

! species:  MCM:CH3COCO3H
! formula:  C_3H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BXASKOSTAOGNPV-UHFFFAOYSA-N
Hvpx_BXASKOSTAOGNPV_UHFFFAOYSA_N =  8.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BXASKOSTAOGNPV_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BXASKOSTAOGNPV_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HYPERACET
! formula:  C_3H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LSIGHSKIPNHVEN-UHFFFAOYSA-N
Hvpx_LSIGHSKIPNHVEN_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LSIGHSKIPNHVEN_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LSIGHSKIPNHVEN_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BIACETOOH
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JYWVDPVJSGSFMT-UHFFFAOYSA-N
Hvpx_JYWVDPVJSGSFMT_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JYWVDPVJSGSFMT_UHFFFAOYSA_N =  4.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JYWVDPVJSGSFMT_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2C3CO3H
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SJOPHMGAZWPERQ-UHFFFAOYSA-N
Hvpx_SJOPHMGAZWPERQ_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SJOPHMGAZWPERQ_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SJOPHMGAZWPERQ_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MEKAOOH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VEPDQRPXKSSVPR-UHFFFAOYSA-N
Hvpx_VEPDQRPXKSSVPR_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VEPDQRPXKSSVPR_UHFFFAOYSA_N =  8.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VEPDQRPXKSSVPR_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MEKBOOH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ISENHDUDKGYVAU-UHFFFAOYSA-N
Hvpx_ISENHDUDKGYVAU_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ISENHDUDKGYVAU_UHFFFAOYSA_N =  7.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ISENHDUDKGYVAU_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MEKCOOH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PSPWSCBXMKHAFW-UHFFFAOYSA-N
Hvpx_PSPWSCBXMKHAFW_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PSPWSCBXMKHAFW_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PSPWSCBXMKHAFW_UHFFFAOYSA_N =  3.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MVKOOH
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PRFKYXWFQJOCGY-UHFFFAOYSA-N
Hvpx_PRFKYXWFQJOCGY_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PRFKYXWFQJOCGY_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PRFKYXWFQJOCGY_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C41CO3H
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FAYQBJFLFGEPOW-UHFFFAOYSA-N
Hvpx_FAYQBJFLFGEPOW_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FAYQBJFLFGEPOW_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FAYQBJFLFGEPOW_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CO14OOH
! formula:  C_5H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FKGAAIITVQJZMS-UHFFFAOYSA-N
Hvpx_FKGAAIITVQJZMS_UHFFFAOYSA_N =  2.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FKGAAIITVQJZMS_UHFFFAOYSA_N =  7.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FKGAAIITVQJZMS_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CO234
! formula:  C_5H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MVDYEFQVZNBPPH-UHFFFAOYSA-N
Hvpx_MVDYEFQVZNBPPH_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MVDYEFQVZNBPPH_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MVDYEFQVZNBPPH_UHFFFAOYSA_N =  2.2E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CO234OOH
! formula:  C_5H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XNGUZQHZGCMOHY-UHFFFAOYSA-N
Hvpx_XNGUZQHZGCMOHY_UHFFFAOYSA_N =  3.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_XNGUZQHZGCMOHY_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XNGUZQHZGCMOHY_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CO23OOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BRUGMCFWMGXRAP-UHFFFAOYSA-N
Hvpx_BRUGMCFWMGXRAP_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BRUGMCFWMGXRAP_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BRUGMCFWMGXRAP_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO23C4CO3H
! formula:  C_5H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BRGQKBIYWSYIOL-UHFFFAOYSA-N
Hvpx_BRGQKBIYWSYIOL_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BRGQKBIYWSYIOL_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BRGQKBIYWSYIOL_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO23C54OOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QASRSSCEZIIDDC-UHFFFAOYSA-N
Hvpx_QASRSSCEZIIDDC_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QASRSSCEZIIDDC_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QASRSSCEZIIDDC_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO24C53OOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AULGAHCEUUOLTF-UHFFFAOYSA-N
Hvpx_AULGAHCEUUOLTF_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AULGAHCEUUOLTF_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AULGAHCEUUOLTF_UHFFFAOYSA_N =  6.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2C4CO3H
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: COVHHGSUFOHLBW-UHFFFAOYSA-N
Hvpx_COVHHGSUFOHLBW_UHFFFAOYSA_N =  2.9E-05 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_COVHHGSUFOHLBW_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_COVHHGSUFOHLBW_UHFFFAOYSA_N =  4.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_COVHHGSUFOHLBW_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3C4CO3H
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HMOQHHYQXPCOJD-UHFFFAOYSA-N
Hvpx_HMOQHHYQXPCOJD_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HMOQHHYQXPCOJD_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HMOQHHYQXPCOJD_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DIEKAOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GVIFMISHBUBLQF-UHFFFAOYSA-N
Hvpx_GVIFMISHBUBLQF_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GVIFMISHBUBLQF_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GVIFMISHBUBLQF_UHFFFAOYSA_N =  5.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DIEKBOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PNIUWVGTVWVIRO-UHFFFAOYSA-N
Hvpx_PNIUWVGTVWVIRO_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PNIUWVGTVWVIRO_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PNIUWVGTVWVIRO_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIPKAOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UWVYZAHMDOAIIN-UHFFFAOYSA-N
Hvpx_UWVYZAHMDOAIIN_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UWVYZAHMDOAIIN_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_UWVYZAHMDOAIIN_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIPKBOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OWEKNVKRJSTQCB-UHFFFAOYSA-N
Hvpx_OWEKNVKRJSTQCB_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OWEKNVKRJSTQCB_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OWEKNVKRJSTQCB_UHFFFAOYSA_N =  8.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MPRKAOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RFXMBEJILJIJHO-UHFFFAOYSA-N
Hvpx_RFXMBEJILJIJHO_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RFXMBEJILJIJHO_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RFXMBEJILJIJHO_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MPRKBOOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BOKMIGXVNYNOOE-UHFFFAOYSA-N
Hvpx_BOKMIGXVNYNOOE_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BOKMIGXVNYNOOE_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BOKMIGXVNYNOOE_UHFFFAOYSA_N =  6.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PE2ONE1OOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NFPIZNOAHNBIPJ-UHFFFAOYSA-N
Hvpx_NFPIZNOAHNBIPJ_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NFPIZNOAHNBIPJ_UHFFFAOYSA_N =  9.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NFPIZNOAHNBIPJ_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23C54CO3H
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FOQTZZGGVXWRDJ-UHFFFAOYSA-N
Hvpx_FOQTZZGGVXWRDJ_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FOQTZZGGVXWRDJ_UHFFFAOYSA_N =  3.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FOQTZZGGVXWRDJ_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3COCCO3H
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NQEGAXBMSWAEEJ-UHFFFAOYSA-N
Hvpx_NQEGAXBMSWAEEJ_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NQEGAXBMSWAEEJ_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NQEGAXBMSWAEEJ_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4DBDIKET
! formula:  C_6H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OTSKZNVDZOOHRX-UHFFFAOYSA-N
Hvpx_OTSKZNVDZOOHRX_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OTSKZNVDZOOHRX_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OTSKZNVDZOOHRX_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C51CO3H
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JNOOBNCRVAKFDO-UHFFFAOYSA-N
Hvpx_JNOOBNCRVAKFDO_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JNOOBNCRVAKFDO_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JNOOBNCRVAKFDO_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CODBCO3H
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DSQMAYIDJPXZOY-UHFFFAOYSA-N
Hvpx_DSQMAYIDJPXZOY_UHFFFAOYSA_N =  4.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DSQMAYIDJPXZOY_UHFFFAOYSA_N =  9.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DSQMAYIDJPXZOY_UHFFFAOYSA_N =  4.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5DBCOCO3H
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NVTHKHSWEWVMOZ-UHFFFAOYSA-N
Hvpx_NVTHKHSWEWVMOZ_UHFFFAOYSA_N =  4.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NVTHKHSWEWVMOZ_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NVTHKHSWEWVMOZ_UHFFFAOYSA_N =  2.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C611OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YTLUYDMGHZZGIK-UHFFFAOYSA-N
Hvpx_YTLUYDMGHZZGIK_UHFFFAOYSA_N =  3.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YTLUYDMGHZZGIK_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YTLUYDMGHZZGIK_UHFFFAOYSA_N =  3.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C619OOH
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CLPCTPYJHZPKKC-UHFFFAOYSA-N
Hvpx_CLPCTPYJHZPKKC_UHFFFAOYSA_N =  9.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CLPCTPYJHZPKKC_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CLPCTPYJHZPKKC_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C627OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BKNNHKNGGIDPKB-UHFFFAOYSA-N
Hvpx_BKNNHKNGGIDPKB_UHFFFAOYSA_N =  2.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BKNNHKNGGIDPKB_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BKNNHKNGGIDPKB_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C62OOH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NRJLAAIGKSDANL-UHFFFAOYSA-N
Hvpx_NRJLAAIGKSDANL_UHFFFAOYSA_N =  3.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_NRJLAAIGKSDANL_UHFFFAOYSA_N =  3.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NRJLAAIGKSDANL_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO134OOH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KXHHBNOARBHHNQ-UHFFFAOYSA-N
Hvpx_KXHHBNOARBHHNQ_UHFFFAOYSA_N =  2.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KXHHBNOARBHHNQ_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KXHHBNOARBHHNQ_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO34
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: KVFQMAZOBTXCAZ-UHFFFAOYSA-N
Hvpx_KVFQMAZOBTXCAZ_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KVFQMAZOBTXCAZ_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KVFQMAZOBTXCAZ_UHFFFAOYSA_N =  5.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO34OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GOPKJUXJYMJAQC-UHFFFAOYSA-N
Hvpx_GOPKJUXJYMJAQC_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GOPKJUXJYMJAQC_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GOPKJUXJYMJAQC_UHFFFAOYSA_N =  3.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CYTONOOH
! formula:  C_6H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JAWAIWJCDBIXQU-UHFFFAOYSA-N
Hvpx_JAWAIWJCDBIXQU_UHFFFAOYSA_N =  1.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_JAWAIWJCDBIXQU_UHFFFAOYSA_N =  2.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_JAWAIWJCDBIXQU_UHFFFAOYSA_N =  2.1E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6DCRBBOOH
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JRENYXREJDINFO-UHFFFAOYSA-N
Hvpx_JRENYXREJDINFO_UHFFFAOYSA_N =  3.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JRENYXREJDINFO_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JRENYXREJDINFO_UHFFFAOYSA_N =  3.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO234C6
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FYLKBSXPBXZFJV-UHFFFAOYSA-N
Hvpx_FYLKBSXPBXZFJV_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FYLKBSXPBXZFJV_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FYLKBSXPBXZFJV_UHFFFAOYSA_N =  2.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO234C6OOH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RXZSKHWIVPRCNE-UHFFFAOYSA-N
Hvpx_RXZSKHWIVPRCNE_UHFFFAOYSA_N =  3.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RXZSKHWIVPRCNE_UHFFFAOYSA_N =  4.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RXZSKHWIVPRCNE_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO235C6
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: POASQEFMMPWSLD-UHFFFAOYSA-N
Hvpx_POASQEFMMPWSLD_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_POASQEFMMPWSLD_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_POASQEFMMPWSLD_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO235C6OOH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OFEOQWJKJVUBKA-UHFFFAOYSA-N
Hvpx_OFEOQWJKJVUBKA_UHFFFAOYSA_N =  4.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_OFEOQWJKJVUBKA_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OFEOQWJKJVUBKA_UHFFFAOYSA_N =  4.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO23C65OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QKJDOFMXAZMTSN-UHFFFAOYSA-N
Hvpx_QKJDOFMXAZMTSN_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QKJDOFMXAZMTSN_UHFFFAOYSA_N =  5.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QKJDOFMXAZMTSN_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO23C6
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MWVFCEVNXHTDNF-UHFFFAOYSA-N
Hvpx_MWVFCEVNXHTDNF_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MWVFCEVNXHTDNF_UHFFFAOYSA_N =  9.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MWVFCEVNXHTDNF_UHFFFAOYSA_N =  7.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO24C63OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BCTNDVKHSPOTQH-UHFFFAOYSA-N
Hvpx_BCTNDVKHSPOTQH_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BCTNDVKHSPOTQH_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BCTNDVKHSPOTQH_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO24C6
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: NDOGLIPWGGRQCO-UHFFFAOYSA-N
Hvpx_NDOGLIPWGGRQCO_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NDOGLIPWGGRQCO_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NDOGLIPWGGRQCO_UHFFFAOYSA_N =  4.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO24C6OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SLWLMHWJPVVUSV-UHFFFAOYSA-N
Hvpx_SLWLMHWJPVVUSV_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SLWLMHWJPVVUSV_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SLWLMHWJPVVUSV_UHFFFAOYSA_N =  9.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO24M3C5
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GSOHKPVFCOWKPU-UHFFFAOYSA-N
Hvpx_GSOHKPVFCOWKPU_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GSOHKPVFCOWKPU_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GSOHKPVFCOWKPU_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO25C6
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OJVAMHKKJGICOG-UHFFFAOYSA-N
Hvpx_OJVAMHKKJGICOG_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OJVAMHKKJGICOG_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OJVAMHKKJGICOG_UHFFFAOYSA_N =  3.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO25C6OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JXALTZPWVLRWQW-UHFFFAOYSA-N
Hvpx_JXALTZPWVLRWQW_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JXALTZPWVLRWQW_UHFFFAOYSA_N =  8.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JXALTZPWVLRWQW_UHFFFAOYSA_N =  7.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2C54CO3H
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CNZIZHTUCKWXKF-UHFFFAOYSA-N
Hvpx_CNZIZHTUCKWXKF_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CNZIZHTUCKWXKF_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CNZIZHTUCKWXKF_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2M33CO3H
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NINAOMADVJMMOS-UHFFFAOYSA-N
Hvpx_NINAOMADVJMMOS_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NINAOMADVJMMOS_UHFFFAOYSA_N =  7.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NINAOMADVJMMOS_UHFFFAOYSA_N =  4.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3C54CO3H
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VXADHVSNPNTBLA-UHFFFAOYSA-N
Hvpx_VXADHVSNPNTBLA_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VXADHVSNPNTBLA_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VXADHVSNPNTBLA_UHFFFAOYSA_N =  3.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3C5CO3H
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NEAYDZAAQZUWAX-UHFFFAOYSA-N
Hvpx_NEAYDZAAQZUWAX_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NEAYDZAAQZUWAX_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NEAYDZAAQZUWAX_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CY6COCOOOH
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PCNCBCRTMCKUHD-UHFFFAOYSA-N
Hvpx_PCNCBCRTMCKUHD_UHFFFAOYSA_N =  9.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PCNCBCRTMCKUHD_UHFFFAOYSA_N =  5.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PCNCBCRTMCKUHD_UHFFFAOYSA_N =  1.2E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CY6DIONOOH
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WZMMYHNHRXLTAA-UHFFFAOYSA-N
Hvpx_WZMMYHNHRXLTAA_UHFFFAOYSA_N =  9.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WZMMYHNHRXLTAA_UHFFFAOYSA_N =  2.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WZMMYHNHRXLTAA_UHFFFAOYSA_N =  9.5E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CYC613DION
! formula:  C_6H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HJSLFCCWAKVHIW-UHFFFAOYSA-N
Hvpx_HJSLFCCWAKVHIW_UHFFFAOYSA_N =  6.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HJSLFCCWAKVHIW_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HJSLFCCWAKVHIW_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CYC6DIONE
! formula:  C_6H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OILAIQUEIWYQPH-UHFFFAOYSA-N
Hvpx_OILAIQUEIWYQPH_UHFFFAOYSA_N =  6.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OILAIQUEIWYQPH_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OILAIQUEIWYQPH_UHFFFAOYSA_N =  6.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CYHXONAOOH
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YLRYKXGGQIKRPE-UHFFFAOYSA-N
Hvpx_YLRYKXGGQIKRPE_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YLRYKXGGQIKRPE_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YLRYKXGGQIKRPE_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ECO3CO3H
! formula:  C_6H_6O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LOIDTPBEOYVNRI-UHFFFAOYSA-N
Hvpx_LOIDTPBEOYVNRI_UHFFFAOYSA_N =  2.8E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_LOIDTPBEOYVNRI_UHFFFAOYSA_N =  2.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LOIDTPBEOYVNRI_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EIPKAOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UUAGRKYHKVSONO-UHFFFAOYSA-N
Hvpx_UUAGRKYHKVSONO_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UUAGRKYHKVSONO_UHFFFAOYSA_N =  6.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_UUAGRKYHKVSONO_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EIPKBOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GSVDUVPILFIVQC-UHFFFAOYSA-N
Hvpx_GSVDUVPILFIVQC_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GSVDUVPILFIVQC_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GSVDUVPILFIVQC_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX2ONAOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BPODHSIMBCVMGL-UHFFFAOYSA-N
Hvpx_BPODHSIMBCVMGL_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BPODHSIMBCVMGL_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BPODHSIMBCVMGL_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX2ONBOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XXENGSKOCXRCDY-UHFFFAOYSA-N
Hvpx_XXENGSKOCXRCDY_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XXENGSKOCXRCDY_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XXENGSKOCXRCDY_UHFFFAOYSA_N =  4.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX2ONCOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UIIPZQPVNWMUDI-UHFFFAOYSA-N
Hvpx_UIIPZQPVNWMUDI_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UIIPZQPVNWMUDI_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_UIIPZQPVNWMUDI_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX3ONAOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZKBVMKAKXKAOJC-UHFFFAOYSA-N
Hvpx_ZKBVMKAKXKAOJC_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZKBVMKAKXKAOJC_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZKBVMKAKXKAOJC_UHFFFAOYSA_N =  8.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX3ONBOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CFZVDJFTDOASSJ-UHFFFAOYSA-N
Hvpx_CFZVDJFTDOASSJ_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CFZVDJFTDOASSJ_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CFZVDJFTDOASSJ_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX3ONCOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RCWXBCITQMXQRJ-UHFFFAOYSA-N
Hvpx_RCWXBCITQMXQRJ_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RCWXBCITQMXQRJ_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RCWXBCITQMXQRJ_UHFFFAOYSA_N =  1.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX3ONDOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GTTLVNDFVPDHBU-UHFFFAOYSA-N
Hvpx_GTTLVNDFVPDHBU_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GTTLVNDFVPDHBU_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GTTLVNDFVPDHBU_UHFFFAOYSA_N =  4.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2BKAOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UYZBTKCJJDJNOE-UHFFFAOYSA-N
Hvpx_UYZBTKCJJDJNOE_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UYZBTKCJJDJNOE_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UYZBTKCJJDJNOE_UHFFFAOYSA_N =  6.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2BKBOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HXTZBJMRLHBTDT-UHFFFAOYSA-N
Hvpx_HXTZBJMRLHBTDT_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HXTZBJMRLHBTDT_UHFFFAOYSA_N =  5.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HXTZBJMRLHBTDT_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBK3CO
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JENYBWHRLYZSSZ-UHFFFAOYSA-N
Hvpx_JENYBWHRLYZSSZ_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JENYBWHRLYZSSZ_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_JENYBWHRLYZSSZ_UHFFFAOYSA_N =  9.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBK3COOOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: REESTLWXXTVHDK-UHFFFAOYSA-N
Hvpx_REESTLWXXTVHDK_UHFFFAOYSA_N =  3.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_REESTLWXXTVHDK_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_REESTLWXXTVHDK_UHFFFAOYSA_N =  8.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBKAOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: TVLYPTZVJFAYSU-UHFFFAOYSA-N
Hvpx_TVLYPTZVJFAYSU_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_TVLYPTZVJFAYSU_UHFFFAOYSA_N =  6.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_TVLYPTZVJFAYSU_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBKBOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NTAUGUQNNYBRPR-UHFFFAOYSA-N
Hvpx_NTAUGUQNNYBRPR_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NTAUGUQNNYBRPR_UHFFFAOYSA_N =  1.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NTAUGUQNNYBRPR_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBKOOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FSDVGLADHCPPED-UHFFFAOYSA-N
Hvpx_FSDVGLADHCPPED_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FSDVGLADHCPPED_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FSDVGLADHCPPED_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C235C6CO3H
! formula:  C_7H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: MCULIRAVDBAPRO-UHFFFAOYSA-N
Hvpx_MCULIRAVDBAPRO_UHFFFAOYSA_N =  3.5E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_MCULIRAVDBAPRO_UHFFFAOYSA_N =  1.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MCULIRAVDBAPRO_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C710OOH
! formula:  C_7H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WMYMHSKADBIKCY-UHFFFAOYSA-N
Hvpx_WMYMHSKADBIKCY_UHFFFAOYSA_N =  3.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WMYMHSKADBIKCY_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WMYMHSKADBIKCY_UHFFFAOYSA_N =  8.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C713OOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BVAIBJLRLSWCNT-UHFFFAOYSA-N
Hvpx_BVAIBJLRLSWCNT_UHFFFAOYSA_N =  4.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BVAIBJLRLSWCNT_UHFFFAOYSA_N =  4.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BVAIBJLRLSWCNT_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C714OOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FQLJODGQMVISEK-UHFFFAOYSA-N
Hvpx_FQLJODGQMVISEK_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FQLJODGQMVISEK_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FQLJODGQMVISEK_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C715OOH
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IFAJGMRYFBSYLP-UHFFFAOYSA-N
Hvpx_IFAJGMRYFBSYLP_UHFFFAOYSA_N =  6.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IFAJGMRYFBSYLP_UHFFFAOYSA_N =  2.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IFAJGMRYFBSYLP_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7236CO
! formula:  C_7H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZXGNNLLPQXKXPQ-UHFFFAOYSA-N
Hvpx_ZXGNNLLPQXKXPQ_UHFFFAOYSA_N =  8.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZXGNNLLPQXKXPQ_UHFFFAOYSA_N =  8.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZXGNNLLPQXKXPQ_UHFFFAOYSA_N =  6.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C726CO5OOH
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DRGOPDAWFSWANX-UHFFFAOYSA-N
Hvpx_DRGOPDAWFSWANX_UHFFFAOYSA_N =  7.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DRGOPDAWFSWANX_UHFFFAOYSA_N =  5.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DRGOPDAWFSWANX_UHFFFAOYSA_N =  8.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C727CO
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XDJAUXXWCBLXGT-UHFFFAOYSA-N
Hvpx_XDJAUXXWCBLXGT_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XDJAUXXWCBLXGT_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XDJAUXXWCBLXGT_UHFFFAOYSA_N =  8.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C727OOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IMCLYNFQESJQRO-UHFFFAOYSA-N
Hvpx_IMCLYNFQESJQRO_UHFFFAOYSA_N =  2.8E-06 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_IMCLYNFQESJQRO_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IMCLYNFQESJQRO_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IMCLYNFQESJQRO_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C73OOH
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QFXLTANEYKLVBH-UHFFFAOYSA-N
Hvpx_QFXLTANEYKLVBH_UHFFFAOYSA_N =  4.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_QFXLTANEYKLVBH_UHFFFAOYSA_N =  5.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QFXLTANEYKLVBH_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C74OOH
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZLQFKUKGFNRBMM-UHFFFAOYSA-N
Hvpx_ZLQFKUKGFNRBMM_UHFFFAOYSA_N =  4.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLQFKUKGFNRBMM_UHFFFAOYSA_N =  3.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLQFKUKGFNRBMM_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C75OOH
! formula:  C_7H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YNKFHYFADYHYPZ-UHFFFAOYSA-N
Hvpx_YNKFHYFADYHYPZ_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YNKFHYFADYHYPZ_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YNKFHYFADYHYPZ_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7ADCCO3H
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KFHCVBUEDOHUEG-UHFFFAOYSA-N
Hvpx_KFHCVBUEDOHUEG_UHFFFAOYSA_N =  6.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KFHCVBUEDOHUEG_UHFFFAOYSA_N =  8.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KFHCVBUEDOHUEG_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7BDICARB
! formula:  C_7H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SGWFXGZCQBUONH-UHFFFAOYSA-N
Hvpx_SGWFXGZCQBUONH_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SGWFXGZCQBUONH_UHFFFAOYSA_N =  3.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SGWFXGZCQBUONH_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7DCCO3H
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VBFDFNFUMYAFQG-UHFFFAOYSA-N
Hvpx_VBFDFNFUMYAFQG_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VBFDFNFUMYAFQG_UHFFFAOYSA_N =  3.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VBFDFNFUMYAFQG_UHFFFAOYSA_N =  3.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7DDCCO3H
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ITRURPAVBUVUCD-UHFFFAOYSA-N
Hvpx_ITRURPAVBUVUCD_UHFFFAOYSA_N =  5.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ITRURPAVBUVUCD_UHFFFAOYSA_N =  2.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ITRURPAVBUVUCD_UHFFFAOYSA_N =  9.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7EDICARB
! formula:  C_7H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: YTVSAHBJOWKZHT-UHFFFAOYSA-N
Hvpx_YTVSAHBJOWKZHT_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YTVSAHBJOWKZHT_UHFFFAOYSA_N =  4.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YTVSAHBJOWKZHT_UHFFFAOYSA_N =  3.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C821OOH
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VNKKTGYQOPWEKF-UHFFFAOYSA-N
Hvpx_VNKKTGYQOPWEKF_UHFFFAOYSA_N =  4.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_VNKKTGYQOPWEKF_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VNKKTGYQOPWEKF_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO235C7
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PLNIROICNOROEN-UHFFFAOYSA-N
Hvpx_PLNIROICNOROEN_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PLNIROICNOROEN_UHFFFAOYSA_N =  5.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PLNIROICNOROEN_UHFFFAOYSA_N =  5.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO245C7
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SOSHREJUCDQQIR-UHFFFAOYSA-N
Hvpx_SOSHREJUCDQQIR_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SOSHREJUCDQQIR_UHFFFAOYSA_N =  5.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SOSHREJUCDQQIR_UHFFFAOYSA_N =  4.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO25C6CO3H
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NZAOVWOYFADSGM-UHFFFAOYSA-N
Hvpx_NZAOVWOYFADSGM_UHFFFAOYSA_N =  2.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NZAOVWOYFADSGM_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NZAOVWOYFADSGM_UHFFFAOYSA_N =  7.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO25C73OOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NWTMJMDPQCUZCE-UHFFFAOYSA-N
Hvpx_NWTMJMDPQCUZCE_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NWTMJMDPQCUZCE_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NWTMJMDPQCUZCE_UHFFFAOYSA_N =  6.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO25C74OOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VDRXHYKLZSMLBZ-UHFFFAOYSA-N
Hvpx_VDRXHYKLZSMLBZ_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VDRXHYKLZSMLBZ_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VDRXHYKLZSMLBZ_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO25C7
! formula:  C_7H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HGRGPAAXHOTBAM-UHFFFAOYSA-N
Hvpx_HGRGPAAXHOTBAM_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HGRGPAAXHOTBAM_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HGRGPAAXHOTBAM_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3C75OOH
! formula:  C_7H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: TVVPPVSOZMPRIM-UHFFFAOYSA-N
Hvpx_TVVPPVSOZMPRIM_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_TVVPPVSOZMPRIM_UHFFFAOYSA_N =  6.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_TVVPPVSOZMPRIM_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IC7DCCO3H
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JFPQYVJBAXIOAT-UHFFFAOYSA-N
Hvpx_JFPQYVJBAXIOAT_UHFFFAOYSA_N =  3.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JFPQYVJBAXIOAT_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JFPQYVJBAXIOAT_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3CO245C6
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FMABCBYNHKBBEH-UHFFFAOYSA-N
Hvpx_FMABCBYNHKBBEH_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FMABCBYNHKBBEH_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FMABCBYNHKBBEH_UHFFFAOYSA_N =  6.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3CO25C6
! formula:  C_7H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: NLLILAUVOOREKR-UHFFFAOYSA-N
Hvpx_NLLILAUVOOREKR_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NLLILAUVOOREKR_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NLLILAUVOOREKR_UHFFFAOYSA_N =  6.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5DBECO3H
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QHSWUEYXPZRIAH-UHFFFAOYSA-N
Hvpx_QHSWUEYXPZRIAH_UHFFFAOYSA_N =  9.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_QHSWUEYXPZRIAH_UHFFFAOYSA_N =  3.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QHSWUEYXPZRIAH_UHFFFAOYSA_N =  4.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5EDBCO3H
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YXJCVNQUVAHMKT-UHFFFAOYSA-N
Hvpx_YXJCVNQUVAHMKT_UHFFFAOYSA_N =  9.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_YXJCVNQUVAHMKT_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YXJCVNQUVAHMKT_UHFFFAOYSA_N =  7.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C727CO3H
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FJTLPXSURBYIDW-UHFFFAOYSA-N
Hvpx_FJTLPXSURBYIDW_UHFFFAOYSA_N =  2.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FJTLPXSURBYIDW_UHFFFAOYSA_N =  5.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FJTLPXSURBYIDW_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7CO2M5OOH
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GOMWBXPFFZKXIF-UHFFFAOYSA-N
Hvpx_GOMWBXPFFZKXIF_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GOMWBXPFFZKXIF_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GOMWBXPFFZKXIF_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7M2CO5OOH
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BVDWDBGMQXZSJX-UHFFFAOYSA-N
Hvpx_BVDWDBGMQXZSJX_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BVDWDBGMQXZSJX_UHFFFAOYSA_N =  7.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BVDWDBGMQXZSJX_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7M3CO
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WFGYJTNUNWJHJN-UHFFFAOYSA-N
Hvpx_WFGYJTNUNWJHJN_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WFGYJTNUNWJHJN_UHFFFAOYSA_N =  6.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WFGYJTNUNWJHJN_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7ODLBCO3H
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NMESNSUDSMNPLZ-UHFFFAOYSA-N
Hvpx_NMESNSUDSMNPLZ_UHFFFAOYSA_N =  6.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NMESNSUDSMNPLZ_UHFFFAOYSA_N =  4.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NMESNSUDSMNPLZ_UHFFFAOYSA_N =  1.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C816CO
! formula:  C_8H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FXXXYZSMIIVJDG-UHFFFAOYSA-N
Hvpx_FXXXYZSMIIVJDG_UHFFFAOYSA_N =  1.8E-03 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_FXXXYZSMIIVJDG_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FXXXYZSMIIVJDG_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FXXXYZSMIIVJDG_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C816OOH
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GWYFGLCLLKWWIQ-UHFFFAOYSA-N
Hvpx_GWYFGLCLLKWWIQ_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GWYFGLCLLKWWIQ_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GWYFGLCLLKWWIQ_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C817OOH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WQMXPSRLZZCZTO-UHFFFAOYSA-N
Hvpx_WQMXPSRLZZCZTO_UHFFFAOYSA_N =  4.6E-07 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_WQMXPSRLZZCZTO_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WQMXPSRLZZCZTO_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WQMXPSRLZZCZTO_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8236CO
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IOHUPZZTKNTURH-UHFFFAOYSA-N
Hvpx_IOHUPZZTKNTURH_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IOHUPZZTKNTURH_UHFFFAOYSA_N =  9.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IOHUPZZTKNTURH_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C826CO3OOH
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JGDMXPACXAYITG-UHFFFAOYSA-N
Hvpx_JGDMXPACXAYITG_UHFFFAOYSA_N =  8.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JGDMXPACXAYITG_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JGDMXPACXAYITG_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C827OOH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MYZHYUNBFYQPIX-UHFFFAOYSA-N
Hvpx_MYZHYUNBFYQPIX_UHFFFAOYSA_N =  5.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MYZHYUNBFYQPIX_UHFFFAOYSA_N =  3.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MYZHYUNBFYQPIX_UHFFFAOYSA_N =  3.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C828OOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IPIPKWBUGMDLTO-UHFFFAOYSA-N
Hvpx_IPIPKWBUGMDLTO_UHFFFAOYSA_N =  8.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IPIPKWBUGMDLTO_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IPIPKWBUGMDLTO_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C83OOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MTDHYROWVQXAOV-UHFFFAOYSA-N
Hvpx_MTDHYROWVQXAOV_UHFFFAOYSA_N =  5.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MTDHYROWVQXAOV_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MTDHYROWVQXAOV_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C84OOH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HQUQRVBRCVTTSE-UHFFFAOYSA-N
Hvpx_HQUQRVBRCVTTSE_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HQUQRVBRCVTTSE_UHFFFAOYSA_N =  3.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HQUQRVBRCVTTSE_UHFFFAOYSA_N =  7.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C85OOH
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MGHQHHXZPXRHRQ-UHFFFAOYSA-N
Hvpx_MGHQHHXZPXRHRQ_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MGHQHHXZPXRHRQ_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MGHQHHXZPXRHRQ_UHFFFAOYSA_N =  5.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C88CO
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KYJUTSWXKQCOOZ-UHFFFAOYSA-N
Hvpx_KYJUTSWXKQCOOZ_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KYJUTSWXKQCOOZ_UHFFFAOYSA_N =  7.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KYJUTSWXKQCOOZ_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C88OOH
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LSPOECQNSUKNPK-UHFFFAOYSA-N
Hvpx_LSPOECQNSUKNPK_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LSPOECQNSUKNPK_UHFFFAOYSA_N =  7.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LSPOECQNSUKNPK_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8BCCO
! formula:  C_8H_{12}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: BYOKRVKHSHTAOM-UHFFFAOYSA-N
Hvpx_BYOKRVKHSHTAOM_UHFFFAOYSA_N =  2.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_BYOKRVKHSHTAOM_UHFFFAOYSA_N =  5.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BYOKRVKHSHTAOM_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO346C8
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YUHNMHTZZXLCQZ-UHFFFAOYSA-N
Hvpx_YUHNMHTZZXLCQZ_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YUHNMHTZZXLCQZ_UHFFFAOYSA_N =  4.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YUHNMHTZZXLCQZ_UHFFFAOYSA_N =  7.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO36C8
! formula:  C_8H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CVZGUJMLZZTPKH-UHFFFAOYSA-N
Hvpx_CVZGUJMLZZTPKH_UHFFFAOYSA_N =  3.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CVZGUJMLZZTPKH_UHFFFAOYSA_N =  3.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CVZGUJMLZZTPKH_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3C85OOH
! formula:  C_8H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RPACFUNWVVDXHA-UHFFFAOYSA-N
Hvpx_RPACFUNWVVDXHA_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RPACFUNWVVDXHA_UHFFFAOYSA_N =  9.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RPACFUNWVVDXHA_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYQONE
! formula:  C_8H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SENUUPBBLQWHMF-UHFFFAOYSA-N
Hvpx_SENUUPBBLQWHMF_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_SENUUPBBLQWHMF_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SENUUPBBLQWHMF_UHFFFAOYSA_N =  3.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYQONE
! formula:  C_8H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: AIACLXROWHONEE-UHFFFAOYSA-N
Hvpx_AIACLXROWHONEE_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_AIACLXROWHONEE_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AIACLXROWHONEE_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PEBQONE
! formula:  C_8H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: IGRSQEOIAAGSGS-UHFFFAOYSA-N
Hvpx_IGRSQEOIAAGSGS_UHFFFAOYSA_N =  2.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_IGRSQEOIAAGSGS_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IGRSQEOIAAGSGS_UHFFFAOYSA_N =  3.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYQONE
! formula:  C_8H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MYKLQMNSFPAPLZ-UHFFFAOYSA-N
Hvpx_MYKLQMNSFPAPLZ_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_MYKLQMNSFPAPLZ_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MYKLQMNSFPAPLZ_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C816CO3H
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IXOBJDNIWKDFSA-UHFFFAOYSA-N
Hvpx_IXOBJDNIWKDFSA_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IXOBJDNIWKDFSA_UHFFFAOYSA_N =  3.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IXOBJDNIWKDFSA_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C817CO3H
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NVOUBBWYYUIRJW-UHFFFAOYSA-N
Hvpx_NVOUBBWYYUIRJW_UHFFFAOYSA_N =  1.6E-08 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_NVOUBBWYYUIRJW_UHFFFAOYSA_N =  3.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NVOUBBWYYUIRJW_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NVOUBBWYYUIRJW_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C827CO3H
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DZJUGPICXPPSEN-UHFFFAOYSA-N
Hvpx_DZJUGPICXPPSEN_UHFFFAOYSA_N =  4.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DZJUGPICXPPSEN_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DZJUGPICXPPSEN_UHFFFAOYSA_N =  3.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C828CO3H
! formula:  C_9H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: XCCOWFUPSKLDCA-UHFFFAOYSA-N
Hvpx_XCCOWFUPSKLDCA_UHFFFAOYSA_N =  7.0E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_XCCOWFUPSKLDCA_UHFFFAOYSA_N =  2.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XCCOWFUPSKLDCA_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C85CO3H
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DAYKQISVSRMABH-UHFFFAOYSA-N
Hvpx_DAYKQISVSRMABH_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DAYKQISVSRMABH_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DAYKQISVSRMABH_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C88CO3H
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KOEDWBONHQRVNE-UHFFFAOYSA-N
Hvpx_KOEDWBONHQRVNE_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KOEDWBONHQRVNE_UHFFFAOYSA_N =  2.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KOEDWBONHQRVNE_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8M2CO6OOH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LMHVWEUXUKAUEE-UHFFFAOYSA-N
Hvpx_LMHVWEUXUKAUEE_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LMHVWEUXUKAUEE_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LMHVWEUXUKAUEE_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8M3CO
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VNKKGGMTAOGJCS-UHFFFAOYSA-N
Hvpx_VNKKGGMTAOGJCS_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VNKKGGMTAOGJCS_UHFFFAOYSA_N =  9.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VNKKGGMTAOGJCS_UHFFFAOYSA_N =  4.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C917OOH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: USPARXGTYFQAAO-UHFFFAOYSA-N
Hvpx_USPARXGTYFQAAO_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_USPARXGTYFQAAO_UHFFFAOYSA_N =  4.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_USPARXGTYFQAAO_UHFFFAOYSA_N =  4.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C91OOH
! formula:  C_9H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LTHHCRGMHVQJHW-UHFFFAOYSA-N
Hvpx_LTHHCRGMHVQJHW_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LTHHCRGMHVQJHW_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LTHHCRGMHVQJHW_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C923OOH
! formula:  C_9H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZSCOJLRNNZZYOH-UHFFFAOYSA-N
Hvpx_ZSCOJLRNNZZYOH_UHFFFAOYSA_N =  5.0E-05 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_ZSCOJLRNNZZYOH_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSCOJLRNNZZYOH_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSCOJLRNNZZYOH_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C928OOH
! formula:  C_9H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NVMDAOHKHIQTQS-UHFFFAOYSA-N
Hvpx_NVMDAOHKHIQTQS_UHFFFAOYSA_N =  6.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NVMDAOHKHIQTQS_UHFFFAOYSA_N =  3.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NVMDAOHKHIQTQS_UHFFFAOYSA_N =  4.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C94OOH
! formula:  C_9H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZEMHBLLRPWJDGD-UHFFFAOYSA-N
Hvpx_ZEMHBLLRPWJDGD_UHFFFAOYSA_N =  4.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZEMHBLLRPWJDGD_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZEMHBLLRPWJDGD_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C95OOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OKPNQXXXVOPUSS-UHFFFAOYSA-N
Hvpx_OKPNQXXXVOPUSS_UHFFFAOYSA_N =  6.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_OKPNQXXXVOPUSS_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OKPNQXXXVOPUSS_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C96OOH
! formula:  C_9H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UOSOYGOFRNBVGT-UHFFFAOYSA-N
Hvpx_UOSOYGOFRNBVGT_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UOSOYGOFRNBVGT_UHFFFAOYSA_N =  7.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UOSOYGOFRNBVGT_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C9DC
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MRLMBLCAGJIZHM-UHFFFAOYSA-N
Hvpx_MRLMBLCAGJIZHM_UHFFFAOYSA_N =  4.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MRLMBLCAGJIZHM_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MRLMBLCAGJIZHM_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C9DCCO
! formula:  C_9H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CNGBBXSWKSNDLL-UHFFFAOYSA-N
Hvpx_CNGBBXSWKSNDLL_UHFFFAOYSA_N =  5.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CNGBBXSWKSNDLL_UHFFFAOYSA_N =  7.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CNGBBXSWKSNDLL_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C9DCOOH
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LVYPIBNFNZWAIN-UHFFFAOYSA-N
Hvpx_LVYPIBNFNZWAIN_UHFFFAOYSA_N =  5.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LVYPIBNFNZWAIN_UHFFFAOYSA_N =  6.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LVYPIBNFNZWAIN_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO356C9
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UAWDJSGDSYOWDW-UHFFFAOYSA-N
Hvpx_UAWDJSGDSYOWDW_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UAWDJSGDSYOWDW_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UAWDJSGDSYOWDW_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO36C9
! formula:  C_9H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: NTESOQURXNMSRF-UHFFFAOYSA-N
Hvpx_NTESOQURXNMSRF_UHFFFAOYSA_N =  3.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NTESOQURXNMSRF_UHFFFAOYSA_N =  5.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NTESOQURXNMSRF_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRBQONE
! formula:  C_9H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XLTSBDOZTUSCMX-UHFFFAOYSA-N
Hvpx_XLTSBDOZTUSCMX_UHFFFAOYSA_N =  2.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XLTSBDOZTUSCMX_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XLTSBDOZTUSCMX_UHFFFAOYSA_N =  6.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMKET
! formula:  C_9H_{14}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: HOBBEYSRFFJETF-UHFFFAOYSA-N
Hvpx_HOBBEYSRFFJETF_UHFFFAOYSA_N =  8.5E-01 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_HOBBEYSRFFJETF_UHFFFAOYSA_N =  2.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_HOBBEYSRFFJETF_UHFFFAOYSA_N =  5.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_HOBBEYSRFFJETF_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLQONE
! formula:  C_9H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FBVFNJVAQSWLOP-UHFFFAOYSA-N
Hvpx_FBVFNJVAQSWLOP_UHFFFAOYSA_N =  3.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FBVFNJVAQSWLOP_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FBVFNJVAQSWLOP_UHFFFAOYSA_N =  3.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINAOOH
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AGOGLNHOAIUZEO-UHFFFAOYSA-N
Hvpx_AGOGLNHOAIUZEO_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AGOGLNHOAIUZEO_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AGOGLNHOAIUZEO_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINBCO
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: AQDJLLQBBRXMBZ-UHFFFAOYSA-N
Hvpx_AQDJLLQBBRXMBZ_UHFFFAOYSA_N =  4.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AQDJLLQBBRXMBZ_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AQDJLLQBBRXMBZ_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINBOOH
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ICIAOEDGJQUKIV-UHFFFAOYSA-N
Hvpx_ICIAOEDGJQUKIV_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ICIAOEDGJQUKIV_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ICIAOEDGJQUKIV_UHFFFAOYSA_N =  5.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINCOOH
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YDBPVAMAGOPNKC-UHFFFAOYSA-N
Hvpx_YDBPVAMAGOPNKC_UHFFFAOYSA_N =  6.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YDBPVAMAGOPNKC_UHFFFAOYSA_N =  4.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YDBPVAMAGOPNKC_UHFFFAOYSA_N =  7.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINDCO
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: QEZVNLZLSDOZRT-UHFFFAOYSA-N
Hvpx_QEZVNLZLSDOZRT_UHFFFAOYSA_N =  4.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QEZVNLZLSDOZRT_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QEZVNLZLSDOZRT_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINDOOH
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MUTHAEIFCDWSQQ-UHFFFAOYSA-N
Hvpx_MUTHAEIFCDWSQQ_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MUTHAEIFCDWSQQ_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MUTHAEIFCDWSQQ_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINONE
! formula:  C_9H_{14}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: XZFDKWMYCUEKSS-UHFFFAOYSA-N
Hvpx_XZFDKWMYCUEKSS_UHFFFAOYSA_N =  3.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_XZFDKWMYCUEKSS_UHFFFAOYSA_N =  5.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XZFDKWMYCUEKSS_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLQONE
! formula:  C_9H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CMBANAGVBLPIPT-UHFFFAOYSA-N
Hvpx_CMBANAGVBLPIPT_UHFFFAOYSA_N =  3.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_CMBANAGVBLPIPT_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CMBANAGVBLPIPT_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLQONE
! formula:  C_9H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JUIQOKRNPGGIPV-UHFFFAOYSA-N
Hvpx_JUIQOKRNPGGIPV_UHFFFAOYSA_N =  3.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_JUIQOKRNPGGIPV_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JUIQOKRNPGGIPV_UHFFFAOYSA_N =  4.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PPRBQONE
! formula:  C_9H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: NBHAZVWKRHTWRW-UHFFFAOYSA-N
Hvpx_NBHAZVWKRHTWRW_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_NBHAZVWKRHTWRW_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NBHAZVWKRHTWRW_UHFFFAOYSA_N =  3.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124QONE
! formula:  C_9H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: QIXDHVDGPXBRRD-UHFFFAOYSA-N
Hvpx_QIXDHVDGPXBRRD_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_QIXDHVDGPXBRRD_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QIXDHVDGPXBRRD_UHFFFAOYSA_N =  7.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1011CO
! formula:  C_{10}H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HCTKOTXYXFZDNL-UHFFFAOYSA-N
Hvpx_HCTKOTXYXFZDNL_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HCTKOTXYXFZDNL_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HCTKOTXYXFZDNL_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1011OOH
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SNMQVMGNQAVOQP-UHFFFAOYSA-N
Hvpx_SNMQVMGNQAVOQP_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SNMQVMGNQAVOQP_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SNMQVMGNQAVOQP_UHFFFAOYSA_N =  3.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C101OOH
! formula:  C_{10}H_{20}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SFSDJTUNVGVIHA-UHFFFAOYSA-N
Hvpx_SFSDJTUNVGVIHA_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SFSDJTUNVGVIHA_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SFSDJTUNVGVIHA_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C104OOH
! formula:  C_{10}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NAKDXHBWPFMZPE-UHFFFAOYSA-N
Hvpx_NAKDXHBWPFMZPE_UHFFFAOYSA_N =  5.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NAKDXHBWPFMZPE_UHFFFAOYSA_N =  7.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NAKDXHBWPFMZPE_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C105OOH
! formula:  C_{10}H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SMUSKFONQIUMCM-UHFFFAOYSA-N
Hvpx_SMUSKFONQIUMCM_UHFFFAOYSA_N =  7.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_SMUSKFONQIUMCM_UHFFFAOYSA_N =  3.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SMUSKFONQIUMCM_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C923CO3H
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JSHGCXGTVADTAK-UHFFFAOYSA-N
Hvpx_JSHGCXGTVADTAK_UHFFFAOYSA_N =  2.5E-05 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_JSHGCXGTVADTAK_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JSHGCXGTVADTAK_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JSHGCXGTVADTAK_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C928CO3H
! formula:  C_{10}H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LCMHUZKVXFPENZ-UHFFFAOYSA-N
Hvpx_LCMHUZKVXFPENZ_UHFFFAOYSA_N =  6.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LCMHUZKVXFPENZ_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LCMHUZKVXFPENZ_UHFFFAOYSA_N =  3.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C9M2CO6OOH
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ACPAJMUJFSDSAX-UHFFFAOYSA-N
Hvpx_ACPAJMUJFSDSAX_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ACPAJMUJFSDSAX_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ACPAJMUJFSDSAX_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C9M3CO
! formula:  C_{10}H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DYAPBQRZCBYWEA-UHFFFAOYSA-N
Hvpx_DYAPBQRZCBYWEA_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DYAPBQRZCBYWEA_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DYAPBQRZCBYWEA_UHFFFAOYSA_N =  5.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO356C10
! formula:  C_{10}H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OKXFSYMNZFSQOL-UHFFFAOYSA-N
Hvpx_OKXFSYMNZFSQOL_UHFFFAOYSA_N =  6.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OKXFSYMNZFSQOL_UHFFFAOYSA_N =  6.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OKXFSYMNZFSQOL_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO36C10
! formula:  C_{10}H_{18}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: WYDYPTCJLWEFAY-UHFFFAOYSA-N
Hvpx_WYDYPTCJLWEFAY_UHFFFAOYSA_N =  4.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WYDYPTCJLWEFAY_UHFFFAOYSA_N =  6.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WYDYPTCJLWEFAY_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DEC3ONE
! formula:  C_{10}H_{20}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: XJLDYKIEURAVBW-UHFFFAOYSA-N
Hvpx_XJLDYKIEURAVBW_UHFFFAOYSA_N =  3.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_XJLDYKIEURAVBW_UHFFFAOYSA_N =  2.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_XJLDYKIEURAVBW_UHFFFAOYSA_N =  5.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PERPINONIC
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VFMYUIAYOIIENK-UHFFFAOYSA-N
Hvpx_VFMYUIAYOIIENK_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VFMYUIAYOIIENK_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VFMYUIAYOIIENK_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1011CO3H
! formula:  C_{11}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MDKPIQZZHUIYJQ-UHFFFAOYSA-N
Hvpx_MDKPIQZZHUIYJQ_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MDKPIQZZHUIYJQ_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MDKPIQZZHUIYJQ_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C111OOH
! formula:  C_{11}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AMIJEMPORNLGBW-UHFFFAOYSA-N
Hvpx_AMIJEMPORNLGBW_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AMIJEMPORNLGBW_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AMIJEMPORNLGBW_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C114OOH
! formula:  C_{11}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YQNGKLISCMALPY-UHFFFAOYSA-N
Hvpx_YQNGKLISCMALPY_UHFFFAOYSA_N =  6.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YQNGKLISCMALPY_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YQNGKLISCMALPY_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C115OOH
! formula:  C_{11}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VPBZYPGTLQIJKG-UHFFFAOYSA-N
Hvpx_VPBZYPGTLQIJKG_UHFFFAOYSA_N =  8.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_VPBZYPGTLQIJKG_UHFFFAOYSA_N =  4.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VPBZYPGTLQIJKG_UHFFFAOYSA_N =  9.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO356C11
! formula:  C_{11}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YADKKYWEPSBFCL-UHFFFAOYSA-N
Hvpx_YADKKYWEPSBFCL_UHFFFAOYSA_N =  7.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YADKKYWEPSBFCL_UHFFFAOYSA_N =  7.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YADKKYWEPSBFCL_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO36C11
! formula:  C_{11}H_{20}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: KWHQQLQVDJMZTG-UHFFFAOYSA-N
Hvpx_KWHQQLQVDJMZTG_UHFFFAOYSA_N =  5.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KWHQQLQVDJMZTG_UHFFFAOYSA_N =  8.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KWHQQLQVDJMZTG_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:UDEC3ONE
! formula:  C_{11}H_{22}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: YNMZZHPSYMOGCI-UHFFFAOYSA-N
Hvpx_YNMZZHPSYMOGCI_UHFFFAOYSA_N =  3.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_YNMZZHPSYMOGCI_UHFFFAOYSA_N =  2.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_YNMZZHPSYMOGCI_UHFFFAOYSA_N =  5.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C121OOH
! formula:  C_{12}H_{24}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NWJGDRGQGOZUDJ-UHFFFAOYSA-N
Hvpx_NWJGDRGQGOZUDJ_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NWJGDRGQGOZUDJ_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NWJGDRGQGOZUDJ_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C124OOH
! formula:  C_{12}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DCPRRPHGFZBUMW-UHFFFAOYSA-N
Hvpx_DCPRRPHGFZBUMW_UHFFFAOYSA_N =  8.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DCPRRPHGFZBUMW_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DCPRRPHGFZBUMW_UHFFFAOYSA_N =  5.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C125OOH
! formula:  C_{12}H_{20}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FTFXETPWXOMYNK-UHFFFAOYSA-N
Hvpx_FTFXETPWXOMYNK_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_FTFXETPWXOMYNK_UHFFFAOYSA_N =  5.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FTFXETPWXOMYNK_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO356C12
! formula:  C_{12}H_{20}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FQYVJQVZHPFSKC-UHFFFAOYSA-N
Hvpx_FQYVJQVZHPFSKC_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FQYVJQVZHPFSKC_UHFFFAOYSA_N =  7.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FQYVJQVZHPFSKC_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO36C12
! formula:  C_{12}H_{22}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RUTQSYKISNASLK-UHFFFAOYSA-N
Hvpx_RUTQSYKISNASLK_UHFFFAOYSA_N =  6.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RUTQSYKISNASLK_UHFFFAOYSA_N =  9.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RUTQSYKISNASLK_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DDEC3ONE
! formula:  C_{12}H_{24}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: PERIHWAPLOBAJM-UHFFFAOYSA-N
Hvpx_PERIHWAPLOBAJM_UHFFFAOYSA_N =  4.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_PERIHWAPLOBAJM_UHFFFAOYSA_N =  3.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_PERIHWAPLOBAJM_UHFFFAOYSA_N =  5.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C131OOH
! formula:  C_{13}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HPZPYFVEAXAGHY-UHFFFAOYSA-N
Hvpx_HPZPYFVEAXAGHY_UHFFFAOYSA_N =  3.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HPZPYFVEAXAGHY_UHFFFAOYSA_N =  2.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HPZPYFVEAXAGHY_UHFFFAOYSA_N =  3.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCKET
! formula:  C_{14}H_{22}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: MBZBBVTYLUNZPJ-UHFFFAOYSA-N
Hvpx_MBZBBVTYLUNZPJ_UHFFFAOYSA_N =  2.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_MBZBBVTYLUNZPJ_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_MBZBBVTYLUNZPJ_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C131CO3H
! formula:  C_{14}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LLSRBTGTUZNRQT-UHFFFAOYSA-N
Hvpx_LLSRBTGTUZNRQT_UHFFFAOYSA_N =  3.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LLSRBTGTUZNRQT_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LLSRBTGTUZNRQT_UHFFFAOYSA_N =  6.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C141OOH
! formula:  C_{14}H_{24}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HKWHMEKBBPOBSQ-UHFFFAOYSA-N
Hvpx_HKWHMEKBBPOBSQ_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HKWHMEKBBPOBSQ_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HKWHMEKBBPOBSQ_UHFFFAOYSA_N =  7.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C141CO3H
! formula:  C_{15}H_{24}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ADRMPTUALHKSOU-UHFFFAOYSA-N
Hvpx_ADRMPTUALHKSOU_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ADRMPTUALHKSOU_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ADRMPTUALHKSOU_UHFFFAOYSA_N =  3.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C619CO
! formula:  C_6H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NGHVTTBOPYXCFB-UHFFFAOYSA-N
Hvpx_NGHVTTBOPYXCFB_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NGHVTTBOPYXCFB_UHFFFAOYSA_N =  4.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NGHVTTBOPYXCFB_UHFFFAOYSA_N =  4.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CY6TRION
! formula:  C_6H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GKSCYYCYSPXQFY-UHFFFAOYSA-N
Hvpx_GKSCYYCYSPXQFY_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GKSCYYCYSPXQFY_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GKSCYYCYSPXQFY_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHCOMEOOH
! formula:  C_8H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BXVCLOREWFXMNM-UHFFFAOYSA-N
Hvpx_BXVCLOREWFXMNM_UHFFFAOYSA_N =  3.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BXVCLOREWFXMNM_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BXVCLOREWFXMNM_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MPHCOMEOOH
! formula:  C_9H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NJDRUBYBGCJLGU-UHFFFAOYSA-N
Hvpx_NJDRUBYBGCJLGU_UHFFFAOYSA_N =  6.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NJDRUBYBGCJLGU_UHFFFAOYSA_N =  3.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NJDRUBYBGCJLGU_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHCOCOCOOH
! formula:  C_9H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XMJMKOZGMVOAIC-UHFFFAOYSA-N
Hvpx_XMJMKOZGMVOAIC_UHFFFAOYSA_N =  6.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XMJMKOZGMVOAIC_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XMJMKOZGMVOAIC_UHFFFAOYSA_N =  9.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHCOCOME
! formula:  C_9H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BVQVLAIMHVDZEL-UHFFFAOYSA-N
Hvpx_BVQVLAIMHVDZEL_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BVQVLAIMHVDZEL_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BVQVLAIMHVDZEL_UHFFFAOYSA_N =  7.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHCOETOOH
! formula:  C_9H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RYQHVKZCKUBIFL-UHFFFAOYSA-N
Hvpx_RYQHVKZCKUBIFL_UHFFFAOYSA_N =  3.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RYQHVKZCKUBIFL_UHFFFAOYSA_N =  9.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RYQHVKZCKUBIFL_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMPHCOME
! formula:  C_{10}H_{12}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: BKIHFZLJJUNKMZ-UHFFFAOYSA-N
Hvpx_BKIHFZLJJUNKMZ_UHFFFAOYSA_N =  7.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BKIHFZLJJUNKMZ_UHFFFAOYSA_N =  3.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BKIHFZLJJUNKMZ_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMPHCOMOOH
! formula:  C_{10}H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SEDWELDPOZYWLL-UHFFFAOYSA-N
Hvpx_SEDWELDPOZYWLL_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SEDWELDPOZYWLL_UHFFFAOYSA_N =  6.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SEDWELDPOZYWLL_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EMPHCOME
! formula:  C_{11}H_{14}O
! trivial:  
! casrn:    UNKNOWN
! inchikey: CZNQKVDFQIGBEW-UHFFFAOYSA-N
Hvpx_CZNQKVDFQIGBEW_UHFFFAOYSA_N =  8.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_CZNQKVDFQIGBEW_UHFFFAOYSA_N =  4.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_CZNQKVDFQIGBEW_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EMPHCOMOOH
! formula:  C_{11}H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OJNDCDHAKIGFTB-UHFFFAOYSA-N
Hvpx_OJNDCDHAKIGFTB_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OJNDCDHAKIGFTB_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OJNDCDHAKIGFTB_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BIACETOH
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NXIVQSJQXMAXJR-UHFFFAOYSA-N
Hvpx_NXIVQSJQXMAXJR_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NXIVQSJQXMAXJR_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NXIVQSJQXMAXJR_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2H3CO3H
! formula:  C_4H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WNDCXKJVOGKFRM-UHFFFAOYSA-N
Hvpx_WNDCXKJVOGKFRM_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WNDCXKJVOGKFRM_UHFFFAOYSA_N =  3.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WNDCXKJVOGKFRM_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H13CO2CO3H
! formula:  C_4H_6O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: RXVYYLAFXUAZCR-UHFFFAOYSA-N
Hvpx_RXVYYLAFXUAZCR_UHFFFAOYSA_N =  4.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RXVYYLAFXUAZCR_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RXVYYLAFXUAZCR_UHFFFAOYSA_N =  3.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H14CO23C4
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GJCZUCLKDGABDS-UHFFFAOYSA-N
Hvpx_GJCZUCLKDGABDS_UHFFFAOYSA_N =  2.6E-07 * EXP( -17000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_GJCZUCLKDGABDS_UHFFFAOYSA_N =  8.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GJCZUCLKDGABDS_UHFFFAOYSA_N =  5.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GJCZUCLKDGABDS_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H1C23C4OOH
! formula:  C_4H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FQXHRCVOGVCTSR-UHFFFAOYSA-N
Hvpx_FQXHRCVOGVCTSR_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_FQXHRCVOGVCTSR_UHFFFAOYSA_N =  9.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_FQXHRCVOGVCTSR_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMVKAOOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XTELZFGIGJBUGR-UHFFFAOYSA-N
Hvpx_XTELZFGIGJBUGR_UHFFFAOYSA_N =  6.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XTELZFGIGJBUGR_UHFFFAOYSA_N =  7.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XTELZFGIGJBUGR_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMVKBOOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NGLQGLCPXKPDMS-UHFFFAOYSA-N
Hvpx_NGLQGLCPXKPDMS_UHFFFAOYSA_N =  3.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NGLQGLCPXKPDMS_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NGLQGLCPXKPDMS_UHFFFAOYSA_N =  4.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO12CO3C4
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SEYLPRWNVFCVRQ-UHFFFAOYSA-N
Hvpx_SEYLPRWNVFCVRQ_UHFFFAOYSA_N =  5.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SEYLPRWNVFCVRQ_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SEYLPRWNVFCVRQ_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO14CO2C4
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XBJODPUPYBBDEM-UHFFFAOYSA-N
Hvpx_XBJODPUPYBBDEM_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XBJODPUPYBBDEM_UHFFFAOYSA_N =  5.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XBJODPUPYBBDEM_UHFFFAOYSA_N =  5.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOCO3C4OOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GQXQZBROPOTXJQ-UHFFFAOYSA-N
Hvpx_GQXQZBROPOTXJQ_UHFFFAOYSA_N =  5.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GQXQZBROPOTXJQ_UHFFFAOYSA_N =  2.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GQXQZBROPOTXJQ_UHFFFAOYSA_N =  5.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MEKAOH
! formula:  C_4H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: LVSQXDHWDCMMRJ-UHFFFAOYSA-N
Hvpx_LVSQXDHWDCMMRJ_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LVSQXDHWDCMMRJ_UHFFFAOYSA_N =  4.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LVSQXDHWDCMMRJ_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MEKCOH
! formula:  C_4H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GFAZHVHNLUBROE-UHFFFAOYSA-N
Hvpx_GFAZHVHNLUBROE_UHFFFAOYSA_N =  7.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GFAZHVHNLUBROE_UHFFFAOYSA_N =  7.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GFAZHVHNLUBROE_UHFFFAOYSA_N =  6.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MVKOHAOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UQPHVQVXLPRNCX-UHFFFAOYSA-N
Hvpx_UQPHVQVXLPRNCX_UHFFFAOYSA_N =  8.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UQPHVQVXLPRNCX_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UQPHVQVXLPRNCX_UHFFFAOYSA_N =  6.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MVKOHAOOH
! formula:  C_4H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MOVXURHCNUWOQO-UHFFFAOYSA-N
Hvpx_MOVXURHCNUWOQO_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MOVXURHCNUWOQO_UHFFFAOYSA_N =  2.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MOVXURHCNUWOQO_UHFFFAOYSA_N =  3.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MVKOHBOOH
! formula:  C_4H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WSMWIMXDHMPHIN-UHFFFAOYSA-N
Hvpx_WSMWIMXDHMPHIN_UHFFFAOYSA_N =  2.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WSMWIMXDHMPHIN_UHFFFAOYSA_N =  2.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WSMWIMXDHMPHIN_UHFFFAOYSA_N =  9.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MVKOH
! formula:  C_4H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: LHBQGXZUVXFJRH-UHFFFAOYSA-N
Hvpx_LHBQGXZUVXFJRH_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LHBQGXZUVXFJRH_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LHBQGXZUVXFJRH_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C517OH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NQMZUMSFJBKHAU-UHFFFAOYSA-N
Hvpx_NQMZUMSFJBKHAU_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NQMZUMSFJBKHAU_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NQMZUMSFJBKHAU_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C517OOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OAFCGFSFCVGKSH-UHFFFAOYSA-N
Hvpx_OAFCGFSFCVGKSH_UHFFFAOYSA_N =  5.0E-07 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_OAFCGFSFCVGKSH_UHFFFAOYSA_N =  5.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OAFCGFSFCVGKSH_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OAFCGFSFCVGKSH_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C519OOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RDSFTYTWLRHJGZ-UHFFFAOYSA-N
Hvpx_RDSFTYTWLRHJGZ_UHFFFAOYSA_N =  3.3E-06 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_RDSFTYTWLRHJGZ_UHFFFAOYSA_N =  5.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RDSFTYTWLRHJGZ_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RDSFTYTWLRHJGZ_UHFFFAOYSA_N =  6.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C51OH2CO
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: WOVLKKLXYZJMSN-UHFFFAOYSA-N
Hvpx_WOVLKKLXYZJMSN_UHFFFAOYSA_N =  9.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WOVLKKLXYZJMSN_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WOVLKKLXYZJMSN_UHFFFAOYSA_N =  5.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C51OH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NJUQBPDKVORANW-UHFFFAOYSA-N
Hvpx_NJUQBPDKVORANW_UHFFFAOYSA_N =  3.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NJUQBPDKVORANW_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NJUQBPDKVORANW_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C51OOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IZBMMNKBXWVQLB-UHFFFAOYSA-N
Hvpx_IZBMMNKBXWVQLB_UHFFFAOYSA_N =  4.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_IZBMMNKBXWVQLB_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IZBMMNKBXWVQLB_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C521OH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UOGQGBWLBZOULD-UHFFFAOYSA-N
Hvpx_UOGQGBWLBZOULD_UHFFFAOYSA_N =  4.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UOGQGBWLBZOULD_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UOGQGBWLBZOULD_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C521OOH
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: INSNYERMNWOCIO-UHFFFAOYSA-N
Hvpx_INSNYERMNWOCIO_UHFFFAOYSA_N =  8.4E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_INSNYERMNWOCIO_UHFFFAOYSA_N =  2.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_INSNYERMNWOCIO_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C524CO
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JVFYSLPFISVGRS-UHFFFAOYSA-N
Hvpx_JVFYSLPFISVGRS_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JVFYSLPFISVGRS_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JVFYSLPFISVGRS_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C525OOH
! formula:  C_5H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KYXSOONCNSTMJK-UHFFFAOYSA-N
Hvpx_KYXSOONCNSTMJK_UHFFFAOYSA_N =  1.4E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_KYXSOONCNSTMJK_UHFFFAOYSA_N =  2.8E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_KYXSOONCNSTMJK_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C53OH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PLVCXNLHUHTLCR-UHFFFAOYSA-N
Hvpx_PLVCXNLHUHTLCR_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PLVCXNLHUHTLCR_UHFFFAOYSA_N =  4.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PLVCXNLHUHTLCR_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C53OOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VCGFNBZCPLQTJR-UHFFFAOYSA-N
Hvpx_VCGFNBZCPLQTJR_UHFFFAOYSA_N =  5.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VCGFNBZCPLQTJR_UHFFFAOYSA_N =  3.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VCGFNBZCPLQTJR_UHFFFAOYSA_N =  8.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C55OOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IEXMEMALQGQSKE-UHFFFAOYSA-N
Hvpx_IEXMEMALQGQSKE_UHFFFAOYSA_N =  1.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IEXMEMALQGQSKE_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IEXMEMALQGQSKE_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C59OOH
! formula:  C_5H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JWNCLQLBUYGJMN-UHFFFAOYSA-N
Hvpx_JWNCLQLBUYGJMN_UHFFFAOYSA_N =  5.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_JWNCLQLBUYGJMN_UHFFFAOYSA_N =  3.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JWNCLQLBUYGJMN_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CO243OH
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SLKPFOVYRYRNBA-UHFFFAOYSA-N
Hvpx_SLKPFOVYRYRNBA_UHFFFAOYSA_N =  5.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SLKPFOVYRYRNBA_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SLKPFOVYRYRNBA_UHFFFAOYSA_N =  5.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5OHCO4OOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DSLVXKSJLFFUGE-UHFFFAOYSA-N
Hvpx_DSLVXKSJLFFUGE_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DSLVXKSJLFFUGE_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DSLVXKSJLFFUGE_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2C5OH
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JSHPTIGHEWEXRW-UHFFFAOYSA-N
Hvpx_JSHPTIGHEWEXRW_UHFFFAOYSA_N =  1.5E-04 * EXP(  -9800.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_JSHPTIGHEWEXRW_UHFFFAOYSA_N =  4.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JSHPTIGHEWEXRW_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JSHPTIGHEWEXRW_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2H3MCO3H
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LZACDMRRAOGIBF-UHFFFAOYSA-N
Hvpx_LZACDMRRAOGIBF_UHFFFAOYSA_N =  5.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LZACDMRRAOGIBF_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LZACDMRRAOGIBF_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3H4CO3H
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LAOPLCWFGWEKGR-UHFFFAOYSA-N
Hvpx_LAOPLCWFGWEKGR_UHFFFAOYSA_N =  3.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LAOPLCWFGWEKGR_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LAOPLCWFGWEKGR_UHFFFAOYSA_N =  3.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DIEKAOH
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: QMXCHEVUAIPIRM-UHFFFAOYSA-N
Hvpx_QMXCHEVUAIPIRM_UHFFFAOYSA_N =  7.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_QMXCHEVUAIPIRM_UHFFFAOYSA_N =  8.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QMXCHEVUAIPIRM_UHFFFAOYSA_N =  7.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3C2C4CO3H
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NYZNEBYYPQANOB-UHFFFAOYSA-N
Hvpx_NYZNEBYYPQANOB_UHFFFAOYSA_N =  7.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NYZNEBYYPQANOB_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NYZNEBYYPQANOB_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HC23C4CO3H
! formula:  C_5H_6O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UQNPRLJBDVQJQC-UHFFFAOYSA-N
Hvpx_UQNPRLJBDVQJQC_UHFFFAOYSA_N =  1.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UQNPRLJBDVQJQC_UHFFFAOYSA_N =  5.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UQNPRLJBDVQJQC_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HCOC5
! formula:  C_5H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: LSMLKPXBSFFBNR-UHFFFAOYSA-N
Hvpx_LSMLKPXBSFFBNR_UHFFFAOYSA_N =  3.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LSMLKPXBSFFBNR_UHFFFAOYSA_N =  3.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LSMLKPXBSFFBNR_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMVKBCO3H
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VFNFGUWSZFHBRW-UHFFFAOYSA-N
Hvpx_VFNFGUWSZFHBRW_UHFFFAOYSA_N =  3.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_VFNFGUWSZFHBRW_UHFFFAOYSA_N =  9.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VFNFGUWSZFHBRW_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO13CO4C5
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CGPIPFJOMJUWGK-UHFFFAOYSA-N
Hvpx_CGPIPFJOMJUWGK_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CGPIPFJOMJUWGK_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CGPIPFJOMJUWGK_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO14CO2C5
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XLDKDOKPMNKVMP-UHFFFAOYSA-N
Hvpx_XLDKDOKPMNKVMP_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XLDKDOKPMNKVMP_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XLDKDOKPMNKVMP_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO14CO3C5
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YMIRTILUDYUWGY-UHFFFAOYSA-N
Hvpx_YMIRTILUDYUWGY_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YMIRTILUDYUWGY_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YMIRTILUDYUWGY_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1CO24C5
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VBUBLWCIADYRMB-UHFFFAOYSA-N
Hvpx_VBUBLWCIADYRMB_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VBUBLWCIADYRMB_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VBUBLWCIADYRMB_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1CO34C5
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LKLKMCUVBQDYFU-UHFFFAOYSA-N
Hvpx_LKLKMCUVBQDYFU_UHFFFAOYSA_N =  7.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LKLKMCUVBQDYFU_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LKLKMCUVBQDYFU_UHFFFAOYSA_N =  5.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1CO3C5
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: TYXULUBCBKMSSK-UHFFFAOYSA-N
Hvpx_TYXULUBCBKMSSK_UHFFFAOYSA_N =  4.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_TYXULUBCBKMSSK_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_TYXULUBCBKMSSK_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2CO4C5
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PCYZZYAEGNVNMH-UHFFFAOYSA-N
Hvpx_PCYZZYAEGNVNMH_UHFFFAOYSA_N =  3.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PCYZZYAEGNVNMH_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PCYZZYAEGNVNMH_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOCO3C5OOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZLPJDXTYGYNOQK-UHFFFAOYSA-N
Hvpx_ZLPJDXTYGYNOQK_UHFFFAOYSA_N =  5.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLPJDXTYGYNOQK_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLPJDXTYGYNOQK_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOCO4C5OOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MYGJVQXASPJPCS-UHFFFAOYSA-N
Hvpx_MYGJVQXASPJPCS_UHFFFAOYSA_N =  5.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MYGJVQXASPJPCS_UHFFFAOYSA_N =  2.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MYGJVQXASPJPCS_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MBOACO
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FEIUXLCYYBVUGD-UHFFFAOYSA-N
Hvpx_FEIUXLCYYBVUGD_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FEIUXLCYYBVUGD_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FEIUXLCYYBVUGD_UHFFFAOYSA_N =  8.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ME3CO2BUOL
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: NBEGXSQMVJTIAR-UHFFFAOYSA-N
Hvpx_NBEGXSQMVJTIAR_UHFFFAOYSA_N =  7.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NBEGXSQMVJTIAR_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NBEGXSQMVJTIAR_UHFFFAOYSA_N =  8.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIPKAOH
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BNDRWEVUODOUDW-UHFFFAOYSA-N
Hvpx_BNDRWEVUODOUDW_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BNDRWEVUODOUDW_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BNDRWEVUODOUDW_UHFFFAOYSA_N =  7.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIPKBOH
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VVSRECWZBBJOTG-UHFFFAOYSA-N
Hvpx_VVSRECWZBBJOTG_UHFFFAOYSA_N =  3.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VVSRECWZBBJOTG_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VVSRECWZBBJOTG_UHFFFAOYSA_N =  8.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MPRKAOH
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HDKKRASBPHFULQ-UHFFFAOYSA-N
Hvpx_HDKKRASBPHFULQ_UHFFFAOYSA_N =  7.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HDKKRASBPHFULQ_UHFFFAOYSA_N =  6.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HDKKRASBPHFULQ_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZOBIPEROH
! formula:  C_6H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OGRXSIBGKCRBOL-UHFFFAOYSA-N
Hvpx_OGRXSIBGKCRBOL_UHFFFAOYSA_N =  8.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OGRXSIBGKCRBOL_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OGRXSIBGKCRBOL_UHFFFAOYSA_N =  3.2E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4COMEOH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FDJJNIXWMAWMBP-UHFFFAOYSA-N
Hvpx_FDJJNIXWMAWMBP_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FDJJNIXWMAWMBP_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FDJJNIXWMAWMBP_UHFFFAOYSA_N =  6.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4COMOH3OH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NCEURKGQTPCVEC-UHFFFAOYSA-N
Hvpx_NCEURKGQTPCVEC_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NCEURKGQTPCVEC_UHFFFAOYSA_N =  7.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NCEURKGQTPCVEC_UHFFFAOYSA_N =  3.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4COMOHOOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JZGTXIGKACACHL-UHFFFAOYSA-N
Hvpx_JZGTXIGKACACHL_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JZGTXIGKACACHL_UHFFFAOYSA_N =  6.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JZGTXIGKACACHL_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4MOHOCO3H
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BJXKNHIKUQDPQL-UHFFFAOYSA-N
Hvpx_BJXKNHIKUQDPQL_UHFFFAOYSA_N =  3.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BJXKNHIKUQDPQL_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BJXKNHIKUQDPQL_UHFFFAOYSA_N =  6.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C517CO3H
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HTNOTPIWPYZOLN-UHFFFAOYSA-N
Hvpx_HTNOTPIWPYZOLN_UHFFFAOYSA_N =  4.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_HTNOTPIWPYZOLN_UHFFFAOYSA_N =  5.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_HTNOTPIWPYZOLN_UHFFFAOYSA_N =  7.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C519CO3H
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OBKQTPZEBCGGJT-UHFFFAOYSA-N
Hvpx_OBKQTPZEBCGGJT_UHFFFAOYSA_N =  4.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_OBKQTPZEBCGGJT_UHFFFAOYSA_N =  3.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OBKQTPZEBCGGJT_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5COHOCO3H
! formula:  C_6H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BPYCYKKOURHNJX-UHFFFAOYSA-N
Hvpx_BPYCYKKOURHNJX_UHFFFAOYSA_N =  9.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_BPYCYKKOURHNJX_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BPYCYKKOURHNJX_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5O5OHCO3H
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GCQMJNYHSPBFDA-UHFFFAOYSA-N
Hvpx_GCQMJNYHSPBFDA_UHFFFAOYSA_N =  4.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GCQMJNYHSPBFDA_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GCQMJNYHSPBFDA_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C610OH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YFEDHAOQJOZUIL-UHFFFAOYSA-N
Hvpx_YFEDHAOQJOZUIL_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YFEDHAOQJOZUIL_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YFEDHAOQJOZUIL_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C610OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VBEFRWQFSDXQDV-UHFFFAOYSA-N
Hvpx_VBEFRWQFSDXQDV_UHFFFAOYSA_N =  4.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VBEFRWQFSDXQDV_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VBEFRWQFSDXQDV_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C611OH
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PYRMISJRKRVNPG-UHFFFAOYSA-N
Hvpx_PYRMISJRKRVNPG_UHFFFAOYSA_N =  9.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PYRMISJRKRVNPG_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PYRMISJRKRVNPG_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C612OH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VCLSUNMNDIKRMY-UHFFFAOYSA-N
Hvpx_VCLSUNMNDIKRMY_UHFFFAOYSA_N =  5.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VCLSUNMNDIKRMY_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VCLSUNMNDIKRMY_UHFFFAOYSA_N =  4.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C612OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OANIXDZJWBEQCD-UHFFFAOYSA-N
Hvpx_OANIXDZJWBEQCD_UHFFFAOYSA_N =  9.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OANIXDZJWBEQCD_UHFFFAOYSA_N =  5.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OANIXDZJWBEQCD_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C613OOH
! formula:  C_6H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MBLADDFAKVGAFO-UHFFFAOYSA-N
Hvpx_MBLADDFAKVGAFO_UHFFFAOYSA_N =  4.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MBLADDFAKVGAFO_UHFFFAOYSA_N =  2.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MBLADDFAKVGAFO_UHFFFAOYSA_N =  4.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C614CO
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DFWHGSVPVJPYJZ-UHFFFAOYSA-N
Hvpx_DFWHGSVPVJPYJZ_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DFWHGSVPVJPYJZ_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DFWHGSVPVJPYJZ_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C614OH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WLPHOQAEOJPJID-UHFFFAOYSA-N
Hvpx_WLPHOQAEOJPJID_UHFFFAOYSA_N =  5.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WLPHOQAEOJPJID_UHFFFAOYSA_N =  6.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WLPHOQAEOJPJID_UHFFFAOYSA_N =  6.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C614OOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AZSLPKKGLPCKMI-UHFFFAOYSA-N
Hvpx_AZSLPKKGLPCKMI_UHFFFAOYSA_N =  7.0E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_AZSLPKKGLPCKMI_UHFFFAOYSA_N =  6.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_AZSLPKKGLPCKMI_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C619OH
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WEYIBABPZCYASX-UHFFFAOYSA-N
Hvpx_WEYIBABPZCYASX_UHFFFAOYSA_N =  4.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WEYIBABPZCYASX_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WEYIBABPZCYASX_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C61CO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MGEAAKFVOQZVFH-UHFFFAOYSA-N
Hvpx_MGEAAKFVOQZVFH_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MGEAAKFVOQZVFH_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MGEAAKFVOQZVFH_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C61OH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JOVKXRBMZIPRBZ-UHFFFAOYSA-N
Hvpx_JOVKXRBMZIPRBZ_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JOVKXRBMZIPRBZ_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JOVKXRBMZIPRBZ_UHFFFAOYSA_N =  4.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C61OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZUQHNOSGBJLTRH-UHFFFAOYSA-N
Hvpx_ZUQHNOSGBJLTRH_UHFFFAOYSA_N =  4.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZUQHNOSGBJLTRH_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZUQHNOSGBJLTRH_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C621OOH
! formula:  C_6H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: OMSKVAAPFLCUBC-UHFFFAOYSA-N
Hvpx_OMSKVAAPFLCUBC_UHFFFAOYSA_N =  5.6E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_OMSKVAAPFLCUBC_UHFFFAOYSA_N =  2.0E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_OMSKVAAPFLCUBC_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C624CO
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SAJQFIMRYKQCMA-UHFFFAOYSA-N
Hvpx_SAJQFIMRYKQCMA_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SAJQFIMRYKQCMA_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SAJQFIMRYKQCMA_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C625OH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UHZLCNNVPSWLBR-UHFFFAOYSA-N
Hvpx_UHZLCNNVPSWLBR_UHFFFAOYSA_N =  4.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UHZLCNNVPSWLBR_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UHZLCNNVPSWLBR_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C625OOH
! formula:  C_6H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RLEQEEKQTRHVBK-UHFFFAOYSA-N
Hvpx_RLEQEEKQTRHVBK_UHFFFAOYSA_N =  2.7E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_RLEQEEKQTRHVBK_UHFFFAOYSA_N =  7.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RLEQEEKQTRHVBK_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C627OH
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YXADPHVQSSNJLB-UHFFFAOYSA-N
Hvpx_YXADPHVQSSNJLB_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YXADPHVQSSNJLB_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YXADPHVQSSNJLB_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C630OH
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LTOZVYXSZHIEKZ-UHFFFAOYSA-N
Hvpx_LTOZVYXSZHIEKZ_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LTOZVYXSZHIEKZ_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LTOZVYXSZHIEKZ_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C630OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FPSNWVZQINIJKM-UHFFFAOYSA-N
Hvpx_FPSNWVZQINIJKM_UHFFFAOYSA_N =  3.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FPSNWVZQINIJKM_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FPSNWVZQINIJKM_UHFFFAOYSA_N =  4.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C63OH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YEHSOHVSOJHCML-UHFFFAOYSA-N
Hvpx_YEHSOHVSOJHCML_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YEHSOHVSOJHCML_UHFFFAOYSA_N =  4.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YEHSOHVSOJHCML_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C63OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RYUSCYCDUHZJRL-UHFFFAOYSA-N
Hvpx_RYUSCYCDUHZJRL_UHFFFAOYSA_N =  5.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RYUSCYCDUHZJRL_UHFFFAOYSA_N =  4.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RYUSCYCDUHZJRL_UHFFFAOYSA_N =  4.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C64OH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DWHFPVYPGLVOER-UHFFFAOYSA-N
Hvpx_DWHFPVYPGLVOER_UHFFFAOYSA_N =  6.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DWHFPVYPGLVOER_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DWHFPVYPGLVOER_UHFFFAOYSA_N =  5.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C64OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WKWKMZOJIHCBFC-UHFFFAOYSA-N
Hvpx_WKWKMZOJIHCBFC_UHFFFAOYSA_N =  7.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WKWKMZOJIHCBFC_UHFFFAOYSA_N =  5.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WKWKMZOJIHCBFC_UHFFFAOYSA_N =  3.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C66CO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PQXOVUFKUOIXAY-UHFFFAOYSA-N
Hvpx_PQXOVUFKUOIXAY_UHFFFAOYSA_N =  7.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PQXOVUFKUOIXAY_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PQXOVUFKUOIXAY_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C66OH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YKCRSYHGTATDJD-UHFFFAOYSA-N
Hvpx_YKCRSYHGTATDJD_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YKCRSYHGTATDJD_UHFFFAOYSA_N =  5.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YKCRSYHGTATDJD_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C66OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZIMKSIUZUDHWGV-UHFFFAOYSA-N
Hvpx_ZIMKSIUZUDHWGV_UHFFFAOYSA_N =  5.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZIMKSIUZUDHWGV_UHFFFAOYSA_N =  7.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZIMKSIUZUDHWGV_UHFFFAOYSA_N =  5.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C67CO3H
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BGZGHPIMJSIBNB-UHFFFAOYSA-N
Hvpx_BGZGHPIMJSIBNB_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BGZGHPIMJSIBNB_UHFFFAOYSA_N =  8.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BGZGHPIMJSIBNB_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C69OH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UAFCVHAXODPLTF-UHFFFAOYSA-N
Hvpx_UAFCVHAXODPLTF_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UAFCVHAXODPLTF_UHFFFAOYSA_N =  6.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UAFCVHAXODPLTF_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C69OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IBTXITPBBCYNLS-UHFFFAOYSA-N
Hvpx_IBTXITPBBCYNLS_UHFFFAOYSA_N =  5.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_IBTXITPBBCYNLS_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IBTXITPBBCYNLS_UHFFFAOYSA_N =  8.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO23HO5
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZFXUWHPHUNDYBV-UHFFFAOYSA-N
Hvpx_ZFXUWHPHUNDYBV_UHFFFAOYSA_N =  7.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFXUWHPHUNDYBV_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFXUWHPHUNDYBV_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO243OH
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YZRCADLLOAXRLD-UHFFFAOYSA-N
Hvpx_YZRCADLLOAXRLD_UHFFFAOYSA_N =  6.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YZRCADLLOAXRLD_UHFFFAOYSA_N =  8.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YZRCADLLOAXRLD_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO34HO1
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LBGWMVXVPMPEID-UHFFFAOYSA-N
Hvpx_LBGWMVXVPMPEID_UHFFFAOYSA_N =  7.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LBGWMVXVPMPEID_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LBGWMVXVPMPEID_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO3HO14
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AEYYIRCLAOJEMX-UHFFFAOYSA-N
Hvpx_AEYYIRCLAOJEMX_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AEYYIRCLAOJEMX_UHFFFAOYSA_N =  6.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AEYYIRCLAOJEMX_UHFFFAOYSA_N =  6.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO3HO25
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AQJAHIKLRWQRAX-UHFFFAOYSA-N
Hvpx_AQJAHIKLRWQRAX_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AQJAHIKLRWQRAX_UHFFFAOYSA_N =  4.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AQJAHIKLRWQRAX_UHFFFAOYSA_N =  3.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO3HO4
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SKCYVGUCBRYGTE-UHFFFAOYSA-N
Hvpx_SKCYVGUCBRYGTE_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SKCYVGUCBRYGTE_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SKCYVGUCBRYGTE_UHFFFAOYSA_N =  8.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO3OHOOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VJHRZIUXRMRGDC-UHFFFAOYSA-N
Hvpx_VJHRZIUXRMRGDC_UHFFFAOYSA_N =  5.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VJHRZIUXRMRGDC_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VJHRZIUXRMRGDC_UHFFFAOYSA_N =  8.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6HOCOOOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DEHZHOWOLMWYLS-UHFFFAOYSA-N
Hvpx_DEHZHOWOLMWYLS_UHFFFAOYSA_N =  6.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DEHZHOWOLMWYLS_UHFFFAOYSA_N =  7.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DEHZHOWOLMWYLS_UHFFFAOYSA_N =  6.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO24M3C5OH
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JUTFYFRULBWUNH-UHFFFAOYSA-N
Hvpx_JUTFYFRULBWUNH_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JUTFYFRULBWUNH_UHFFFAOYSA_N =  5.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JUTFYFRULBWUNH_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO25C6OH
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MXGSILCFPNVDMX-UHFFFAOYSA-N
Hvpx_MXGSILCFPNVDMX_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MXGSILCFPNVDMX_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MXGSILCFPNVDMX_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2HO3C6
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: UHSBCAJZDUQTHH-UHFFFAOYSA-N
Hvpx_UHSBCAJZDUQTHH_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_UHSBCAJZDUQTHH_UHFFFAOYSA_N =  9.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UHSBCAJZDUQTHH_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2HO4C6
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ODWYTDVNWFBCLV-UHFFFAOYSA-N
Hvpx_ODWYTDVNWFBCLV_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ODWYTDVNWFBCLV_UHFFFAOYSA_N =  7.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ODWYTDVNWFBCLV_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2HOC6OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DONIGPAOCGSEHJ-UHFFFAOYSA-N
Hvpx_DONIGPAOCGSEHJ_UHFFFAOYSA_N =  6.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DONIGPAOCGSEHJ_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DONIGPAOCGSEHJ_UHFFFAOYSA_N =  4.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2M3C5OH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: YJCMJVMCCJIPRV-UHFFFAOYSA-N
Hvpx_YJCMJVMCCJIPRV_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YJCMJVMCCJIPRV_UHFFFAOYSA_N =  3.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YJCMJVMCCJIPRV_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2MC5OH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: NZBRXFKHZBOFBW-UHFFFAOYSA-N
Hvpx_NZBRXFKHZBOFBW_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NZBRXFKHZBOFBW_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NZBRXFKHZBOFBW_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CY6DIONOH
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ACRUCDPQQCIOID-UHFFFAOYSA-N
Hvpx_ACRUCDPQQCIOID_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ACRUCDPQQCIOID_UHFFFAOYSA_N =  8.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ACRUCDPQQCIOID_UHFFFAOYSA_N =  1.9E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CYHXOLACO
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ODZTXUXIYGJLMC-UHFFFAOYSA-N
Hvpx_ODZTXUXIYGJLMC_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ODZTXUXIYGJLMC_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ODZTXUXIYGJLMC_UHFFFAOYSA_N =  8.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CYHXONAOH
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: TWEVQGUWCLBRMJ-UHFFFAOYSA-N
Hvpx_TWEVQGUWCLBRMJ_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_TWEVQGUWCLBRMJ_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_TWEVQGUWCLBRMJ_UHFFFAOYSA_N =  6.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMK2OH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RQDWELNLPMBYMA-UHFFFAOYSA-N
Hvpx_RQDWELNLPMBYMA_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RQDWELNLPMBYMA_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RQDWELNLPMBYMA_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMKCOOH
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OKDWWGVTKQPUTM-UHFFFAOYSA-N
Hvpx_OKDWWGVTKQPUTM_UHFFFAOYSA_N =  8.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OKDWWGVTKQPUTM_UHFFFAOYSA_N =  1.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OKDWWGVTKQPUTM_UHFFFAOYSA_N =  5.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMKOHOOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WAHPQVAXIMVNLL-UHFFFAOYSA-N
Hvpx_WAHPQVAXIMVNLL_UHFFFAOYSA_N =  1.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WAHPQVAXIMVNLL_UHFFFAOYSA_N =  7.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WAHPQVAXIMVNLL_UHFFFAOYSA_N =  5.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EIPKAOH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SYAVYWAMVZKGTF-UHFFFAOYSA-N
Hvpx_SYAVYWAMVZKGTF_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_SYAVYWAMVZKGTF_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SYAVYWAMVZKGTF_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EIPKBOH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JYEMLYGXHDIVRA-UHFFFAOYSA-N
Hvpx_JYEMLYGXHDIVRA_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JYEMLYGXHDIVRA_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JYEMLYGXHDIVRA_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H13M3CO4C5
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NBNMOYHUQSLZCQ-UHFFFAOYSA-N
Hvpx_NBNMOYHUQSLZCQ_UHFFFAOYSA_N =  5.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NBNMOYHUQSLZCQ_UHFFFAOYSA_N =  3.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NBNMOYHUQSLZCQ_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3C25C6OH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XLUGOLRJPRATMY-UHFFFAOYSA-N
Hvpx_XLUGOLRJPRATMY_UHFFFAOYSA_N =  9.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XLUGOLRJPRATMY_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XLUGOLRJPRATMY_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3C25C6OOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XIJKANBCMKWKRM-UHFFFAOYSA-N
Hvpx_XIJKANBCMKWKRM_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XIJKANBCMKWKRM_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XIJKANBCMKWKRM_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX3ONAOH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XHYXKWWFNRBCGE-UHFFFAOYSA-N
Hvpx_XHYXKWWFNRBCGE_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_XHYXKWWFNRBCGE_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XHYXKWWFNRBCGE_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX3ONCOH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZWBUSAWJHMPOEJ-UHFFFAOYSA-N
Hvpx_ZWBUSAWJHMPOEJ_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZWBUSAWJHMPOEJ_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZWBUSAWJHMPOEJ_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX3ONDOH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ITHSWIXXHGKFJW-UHFFFAOYSA-N
Hvpx_ITHSWIXXHGKFJW_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ITHSWIXXHGKFJW_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ITHSWIXXHGKFJW_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1CO24C6
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NUDMYLMVZRZHHU-UHFFFAOYSA-N
Hvpx_NUDMYLMVZRZHHU_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NUDMYLMVZRZHHU_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NUDMYLMVZRZHHU_UHFFFAOYSA_N =  3.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1CO4C6
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: APQMHEQLBDXGMP-UHFFFAOYSA-N
Hvpx_APQMHEQLBDXGMP_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_APQMHEQLBDXGMP_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_APQMHEQLBDXGMP_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2CO5C6
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZSDLLTJVENEIDW-UHFFFAOYSA-N
Hvpx_ZSDLLTJVENEIDW_UHFFFAOYSA_N =  2.0E-04 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_ZSDLLTJVENEIDW_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSDLLTJVENEIDW_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSDLLTJVENEIDW_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2BKAOH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZXZUCILLTLHIBZ-UHFFFAOYSA-N
Hvpx_ZXZUCILLTLHIBZ_UHFFFAOYSA_N =  4.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZXZUCILLTLHIBZ_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZXZUCILLTLHIBZ_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2BKBOH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: KHCUSEDRQWYNDS-UHFFFAOYSA-N
Hvpx_KHCUSEDRQWYNDS_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KHCUSEDRQWYNDS_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KHCUSEDRQWYNDS_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MBKCOOHOOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VGLNQNYMXFMHPV-UHFFFAOYSA-N
Hvpx_VGLNQNYMXFMHPV_UHFFFAOYSA_N =  2.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_VGLNQNYMXFMHPV_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VGLNQNYMXFMHPV_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBKAOH3CO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NARMPYMUEZMSEV-UHFFFAOYSA-N
Hvpx_NARMPYMUEZMSEV_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NARMPYMUEZMSEV_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NARMPYMUEZMSEV_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBKBOH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: IGPIDYBTABPKQT-UHFFFAOYSA-N
Hvpx_IGPIDYBTABPKQT_UHFFFAOYSA_N =  8.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IGPIDYBTABPKQT_UHFFFAOYSA_N =  8.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IGPIDYBTABPKQT_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBKHO14
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UZSRJTNVDUYOLE-UHFFFAOYSA-N
Hvpx_UZSRJTNVDUYOLE_UHFFFAOYSA_N =  5.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UZSRJTNVDUYOLE_UHFFFAOYSA_N =  6.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UZSRJTNVDUYOLE_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBKHO4OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FGHCAVJLMYVGOV-UHFFFAOYSA-N
Hvpx_FGHCAVJLMYVGOV_UHFFFAOYSA_N =  9.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FGHCAVJLMYVGOV_UHFFFAOYSA_N =  5.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FGHCAVJLMYVGOV_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBKOH34
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OSPIOFUQWMUWOI-UHFFFAOYSA-N
Hvpx_OSPIOFUQWMUWOI_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OSPIOFUQWMUWOI_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OSPIOFUQWMUWOI_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBKOHAOOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WIXFQYMFSUQGGT-UHFFFAOYSA-N
Hvpx_WIXFQYMFSUQGGT_UHFFFAOYSA_N =  6.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WIXFQYMFSUQGGT_UHFFFAOYSA_N =  3.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WIXFQYMFSUQGGT_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBKOHBOOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NCKNZQNPSVRYAP-UHFFFAOYSA-N
Hvpx_NCKNZQNPSVRYAP_UHFFFAOYSA_N =  7.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NCKNZQNPSVRYAP_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NCKNZQNPSVRYAP_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBKOH
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: DYAWMXSWDGPGOI-UHFFFAOYSA-N
Hvpx_DYAWMXSWDGPGOI_UHFFFAOYSA_N =  7.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DYAWMXSWDGPGOI_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DYAWMXSWDGPGOI_UHFFFAOYSA_N =  1.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZQCO
! formula:  C_6H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LTWQMQDFZHUKCN-UHFFFAOYSA-N
Hvpx_LTWQMQDFZHUKCN_UHFFFAOYSA_N =  6.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LTWQMQDFZHUKCN_UHFFFAOYSA_N =  1.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_LTWQMQDFZHUKCN_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZQOH
! formula:  C_6H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KGAUAKJVBKFEJK-UHFFFAOYSA-N
Hvpx_KGAUAKJVBKFEJK_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KGAUAKJVBKFEJK_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KGAUAKJVBKFEJK_UHFFFAOYSA_N =  3.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZQOOH
! formula:  C_6H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GWWKDNIKIVTFLV-UHFFFAOYSA-N
Hvpx_GWWKDNIKIVTFLV_UHFFFAOYSA_N =  1.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GWWKDNIKIVTFLV_UHFFFAOYSA_N =  2.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GWWKDNIKIVTFLV_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C61CO3H
! formula:  C_7H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LNQZNTUCDYUQNY-UHFFFAOYSA-N
Hvpx_LNQZNTUCDYUQNY_UHFFFAOYSA_N =  7.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_LNQZNTUCDYUQNY_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LNQZNTUCDYUQNY_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C62CO3H
! formula:  C_7H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: OTMFEIRKQNFPTO-UHFFFAOYSA-N
Hvpx_OTMFEIRKQNFPTO_UHFFFAOYSA_N =  6.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_OTMFEIRKQNFPTO_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OTMFEIRKQNFPTO_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C711OOH
! formula:  C_7H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CHMPWQJFRSDBMP-UHFFFAOYSA-N
Hvpx_CHMPWQJFRSDBMP_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CHMPWQJFRSDBMP_UHFFFAOYSA_N =  7.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CHMPWQJFRSDBMP_UHFFFAOYSA_N =  9.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C712OH
! formula:  C_7H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XKQDJNZCXUTPAB-UHFFFAOYSA-N
Hvpx_XKQDJNZCXUTPAB_UHFFFAOYSA_N =  6.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XKQDJNZCXUTPAB_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XKQDJNZCXUTPAB_UHFFFAOYSA_N =  9.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C712OOH
! formula:  C_7H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ISDXEEIPAJYQKS-UHFFFAOYSA-N
Hvpx_ISDXEEIPAJYQKS_UHFFFAOYSA_N =  8.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ISDXEEIPAJYQKS_UHFFFAOYSA_N =  7.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ISDXEEIPAJYQKS_UHFFFAOYSA_N =  6.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C713OH
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KKMPMNHIJNYFMY-UHFFFAOYSA-N
Hvpx_KKMPMNHIJNYFMY_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KKMPMNHIJNYFMY_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KKMPMNHIJNYFMY_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C714OH
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BDJIDAHXOAZMLT-UHFFFAOYSA-N
Hvpx_BDJIDAHXOAZMLT_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BDJIDAHXOAZMLT_UHFFFAOYSA_N =  8.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BDJIDAHXOAZMLT_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C719OH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SNLGDBZBHBGDGF-UHFFFAOYSA-N
Hvpx_SNLGDBZBHBGDGF_UHFFFAOYSA_N =  1.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_SNLGDBZBHBGDGF_UHFFFAOYSA_N =  7.7E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_SNLGDBZBHBGDGF_UHFFFAOYSA_N =  2.3E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C719OOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RIQZESWBZQGTOF-UHFFFAOYSA-N
Hvpx_RIQZESWBZQGTOF_UHFFFAOYSA_N =  7.7E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_RIQZESWBZQGTOF_UHFFFAOYSA_N =  9.5E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_RIQZESWBZQGTOF_UHFFFAOYSA_N =  2.8E-10                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C71OOH
! formula:  C_7H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NBQALOYIKVIATH-UHFFFAOYSA-N
Hvpx_NBQALOYIKVIATH_UHFFFAOYSA_N =  6.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NBQALOYIKVIATH_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NBQALOYIKVIATH_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C726CO3OH
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KXKCGTAVIRFZLI-UHFFFAOYSA-N
Hvpx_KXKCGTAVIRFZLI_UHFFFAOYSA_N =  3.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KXKCGTAVIRFZLI_UHFFFAOYSA_N =  6.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KXKCGTAVIRFZLI_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C72OH
! formula:  C_7H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NSVUCXUEJIZYCX-UHFFFAOYSA-N
Hvpx_NSVUCXUEJIZYCX_UHFFFAOYSA_N =  4.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NSVUCXUEJIZYCX_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NSVUCXUEJIZYCX_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C72OOH
! formula:  C_7H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HOCRXLJRXJDOAI-UHFFFAOYSA-N
Hvpx_HOCRXLJRXJDOAI_UHFFFAOYSA_N =  5.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_HOCRXLJRXJDOAI_UHFFFAOYSA_N =  5.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HOCRXLJRXJDOAI_UHFFFAOYSA_N =  3.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C76OOH
! formula:  C_7H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RNKPJWWQPAQZAU-UHFFFAOYSA-N
Hvpx_RNKPJWWQPAQZAU_UHFFFAOYSA_N =  6.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RNKPJWWQPAQZAU_UHFFFAOYSA_N =  6.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RNKPJWWQPAQZAU_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C77CO
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LRWMVVHMPWURQP-UHFFFAOYSA-N
Hvpx_LRWMVVHMPWURQP_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LRWMVVHMPWURQP_UHFFFAOYSA_N =  6.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LRWMVVHMPWURQP_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C77OH
! formula:  C_7H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BWFQHNYIFKCYIN-UHFFFAOYSA-N
Hvpx_BWFQHNYIFKCYIN_UHFFFAOYSA_N =  6.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BWFQHNYIFKCYIN_UHFFFAOYSA_N =  1.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BWFQHNYIFKCYIN_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C77OOH
! formula:  C_7H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VLZZBCPZVYCEGU-UHFFFAOYSA-N
Hvpx_VLZZBCPZVYCEGU_UHFFFAOYSA_N =  8.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VLZZBCPZVYCEGU_UHFFFAOYSA_N =  8.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VLZZBCPZVYCEGU_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C78CO
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XZDSUXRHWGXGLP-UHFFFAOYSA-N
Hvpx_XZDSUXRHWGXGLP_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XZDSUXRHWGXGLP_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XZDSUXRHWGXGLP_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C78OH
! formula:  C_7H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RHPFPSWJNNLJIH-UHFFFAOYSA-N
Hvpx_RHPFPSWJNNLJIH_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RHPFPSWJNNLJIH_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RHPFPSWJNNLJIH_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C78OOH
! formula:  C_7H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CHSMMMZNDOATLZ-UHFFFAOYSA-N
Hvpx_CHSMMMZNDOATLZ_UHFFFAOYSA_N =  9.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CHSMMMZNDOATLZ_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CHSMMMZNDOATLZ_UHFFFAOYSA_N =  3.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C79OOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PAASZTKJDWJXEO-UHFFFAOYSA-N
Hvpx_PAASZTKJDWJXEO_UHFFFAOYSA_N =  2.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PAASZTKJDWJXEO_UHFFFAOYSA_N =  5.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PAASZTKJDWJXEO_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7BDCOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IQLAANIUQOXZGT-UHFFFAOYSA-N
Hvpx_IQLAANIUQOXZGT_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IQLAANIUQOXZGT_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IQLAANIUQOXZGT_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7BDCOOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YSGKLAZJXASOJQ-UHFFFAOYSA-N
Hvpx_YSGKLAZJXASOJQ_UHFFFAOYSA_N =  2.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_YSGKLAZJXASOJQ_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YSGKLAZJXASOJQ_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7EDCCO
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZZJOBVIMQADRSG-UHFFFAOYSA-N
Hvpx_ZZJOBVIMQADRSG_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZZJOBVIMQADRSG_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZZJOBVIMQADRSG_UHFFFAOYSA_N =  6.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7EDCOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ILHMXLYATWSMQV-UHFFFAOYSA-N
Hvpx_ILHMXLYATWSMQV_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ILHMXLYATWSMQV_UHFFFAOYSA_N =  2.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ILHMXLYATWSMQV_UHFFFAOYSA_N =  3.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7EDCOOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GFYCWCYSZRNKIC-UHFFFAOYSA-N
Hvpx_GFYCWCYSZRNKIC_UHFFFAOYSA_N =  1.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GFYCWCYSZRNKIC_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GFYCWCYSZRNKIC_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO25C73OH
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SUAOXERUOLNODJ-UHFFFAOYSA-N
Hvpx_SUAOXERUOLNODJ_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SUAOXERUOLNODJ_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SUAOXERUOLNODJ_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO25C74OH
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WVDVIEDFZYMNAI-UHFFFAOYSA-N
Hvpx_WVDVIEDFZYMNAI_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WVDVIEDFZYMNAI_UHFFFAOYSA_N =  6.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WVDVIEDFZYMNAI_UHFFFAOYSA_N =  4.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M2CO5C6
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GNNBSAPGFGNCCT-UHFFFAOYSA-N
Hvpx_GNNBSAPGFGNCCT_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GNNBSAPGFGNCCT_UHFFFAOYSA_N =  3.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GNNBSAPGFGNCCT_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M3CO5C6
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JXXNGUYHZPNXHL-UHFFFAOYSA-N
Hvpx_JXXNGUYHZPNXHL_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JXXNGUYHZPNXHL_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JXXNGUYHZPNXHL_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M4CO5C6
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZIVAMUMQDXZFCR-UHFFFAOYSA-N
Hvpx_ZIVAMUMQDXZFCR_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZIVAMUMQDXZFCR_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZIVAMUMQDXZFCR_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3C25CCO3H
! formula:  C_7H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ARDZNQBCJILRHG-UHFFFAOYSA-N
Hvpx_ARDZNQBCJILRHG_UHFFFAOYSA_N =  1.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ARDZNQBCJILRHG_UHFFFAOYSA_N =  5.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ARDZNQBCJILRHG_UHFFFAOYSA_N =  9.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HCC7CO
! formula:  C_7H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: WVMVYBISUAVCBD-UHFFFAOYSA-N
Hvpx_WVMVYBISUAVCBD_UHFFFAOYSA_N =  6.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WVMVYBISUAVCBD_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WVMVYBISUAVCBD_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2CO35C7
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LULWLYVLBHVZLB-UHFFFAOYSA-N
Hvpx_LULWLYVLBHVZLB_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LULWLYVLBHVZLB_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LULWLYVLBHVZLB_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2CO5C7
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: DWMNUVZLRBCGOL-UHFFFAOYSA-N
Hvpx_DWMNUVZLRBCGOL_UHFFFAOYSA_N =  6.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DWMNUVZLRBCGOL_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DWMNUVZLRBCGOL_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3CO6C7
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MQRALIJAASQPNT-UHFFFAOYSA-N
Hvpx_MQRALIJAASQPNT_UHFFFAOYSA_N =  2.6E-04 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_MQRALIJAASQPNT_UHFFFAOYSA_N =  6.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MQRALIJAASQPNT_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MQRALIJAASQPNT_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PTLQCO
! formula:  C_7H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QCLUMLMJJNMFFX-UHFFFAOYSA-N
Hvpx_QCLUMLMJJNMFFX_UHFFFAOYSA_N =  9.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QCLUMLMJJNMFFX_UHFFFAOYSA_N =  8.8E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_QCLUMLMJJNMFFX_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PTLQOH
! formula:  C_7H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FWCZASAULMADEU-UHFFFAOYSA-N
Hvpx_FWCZASAULMADEU_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FWCZASAULMADEU_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_FWCZASAULMADEU_UHFFFAOYSA_N =  4.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PTLQOOH
! formula:  C_7H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ULCYCDVSDDOIBS-UHFFFAOYSA-N
Hvpx_ULCYCDVSDDOIBS_UHFFFAOYSA_N =  1.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ULCYCDVSDDOIBS_UHFFFAOYSA_N =  3.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ULCYCDVSDDOIBS_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLCOBIPEOH
! formula:  C_7H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BTRXIMYXFXXDNL-UHFFFAOYSA-N
Hvpx_BTRXIMYXFXXDNL_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BTRXIMYXFXXDNL_UHFFFAOYSA_N =  7.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BTRXIMYXFXXDNL_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLOBIPEROH
! formula:  C_7H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OGIZZGFCOPEREO-UHFFFAOYSA-N
Hvpx_OGIZZGFCOPEREO_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OGIZZGFCOPEREO_UHFFFAOYSA_N =  4.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OGIZZGFCOPEREO_UHFFFAOYSA_N =  5.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6MOCOCO3H
! formula:  C_8H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UAMJQIWVNIVSAA-UHFFFAOYSA-N
Hvpx_UAMJQIWVNIVSAA_UHFFFAOYSA_N =  2.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UAMJQIWVNIVSAA_UHFFFAOYSA_N =  3.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UAMJQIWVNIVSAA_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7CO2M5OH
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VIGCXZSBZQABDL-UHFFFAOYSA-N
Hvpx_VIGCXZSBZQABDL_UHFFFAOYSA_N =  7.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VIGCXZSBZQABDL_UHFFFAOYSA_N =  2.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VIGCXZSBZQABDL_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7CO2OCO3H
! formula:  C_8H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: PYNUJNZYCLWJPS-UHFFFAOYSA-N
Hvpx_PYNUJNZYCLWJPS_UHFFFAOYSA_N =  2.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PYNUJNZYCLWJPS_UHFFFAOYSA_N =  2.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PYNUJNZYCLWJPS_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7M2CO5OH
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IWFVDGADKJRMAI-UHFFFAOYSA-N
Hvpx_IWFVDGADKJRMAI_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IWFVDGADKJRMAI_UHFFFAOYSA_N =  6.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IWFVDGADKJRMAI_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C817OH
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HXKXVESDDNIBIQ-UHFFFAOYSA-N
Hvpx_HXKXVESDDNIBIQ_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HXKXVESDDNIBIQ_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HXKXVESDDNIBIQ_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C818CO
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CRQAGKNTHDNGEW-UHFFFAOYSA-N
Hvpx_CRQAGKNTHDNGEW_UHFFFAOYSA_N =  8.4E-08 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_CRQAGKNTHDNGEW_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CRQAGKNTHDNGEW_UHFFFAOYSA_N =  3.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CRQAGKNTHDNGEW_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C818OH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GYBDPSWJEGVQPC-UHFFFAOYSA-N
Hvpx_GYBDPSWJEGVQPC_UHFFFAOYSA_N =  6.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GYBDPSWJEGVQPC_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GYBDPSWJEGVQPC_UHFFFAOYSA_N =  7.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C818OOH
! formula:  C_8H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DLMBPALZQHFDOH-UHFFFAOYSA-N
Hvpx_DLMBPALZQHFDOH_UHFFFAOYSA_N =  9.5E-10 * EXP( -17000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_DLMBPALZQHFDOH_UHFFFAOYSA_N =  1.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DLMBPALZQHFDOH_UHFFFAOYSA_N =  5.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_DLMBPALZQHFDOH_UHFFFAOYSA_N =  6.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C819OOH
! formula:  C_8H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JRXMSSDNDAZISI-UHFFFAOYSA-N
Hvpx_JRXMSSDNDAZISI_UHFFFAOYSA_N =  2.6E-08 * EXP( -17000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_JRXMSSDNDAZISI_UHFFFAOYSA_N =  1.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_JRXMSSDNDAZISI_UHFFFAOYSA_N =  8.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JRXMSSDNDAZISI_UHFFFAOYSA_N =  8.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C81OOH
! formula:  C_8H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SFFBCYBCCUXGLX-UHFFFAOYSA-N
Hvpx_SFFBCYBCCUXGLX_UHFFFAOYSA_N =  8.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SFFBCYBCCUXGLX_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SFFBCYBCCUXGLX_UHFFFAOYSA_N =  4.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C820OOH
! formula:  C_8H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: MPCACGHSMGOFNV-UHFFFAOYSA-N
Hvpx_MPCACGHSMGOFNV_UHFFFAOYSA_N =  2.4E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_MPCACGHSMGOFNV_UHFFFAOYSA_N =  4.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MPCACGHSMGOFNV_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C826CO3OH
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GGSZUEZFMJTLBX-UHFFFAOYSA-N
Hvpx_GGSZUEZFMJTLBX_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GGSZUEZFMJTLBX_UHFFFAOYSA_N =  9.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GGSZUEZFMJTLBX_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C827OH
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VYHQZXLAUHJBAB-UHFFFAOYSA-N
Hvpx_VYHQZXLAUHJBAB_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VYHQZXLAUHJBAB_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VYHQZXLAUHJBAB_UHFFFAOYSA_N =  3.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C829OH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZFRREEXTYBESJX-UHFFFAOYSA-N
Hvpx_ZFRREEXTYBESJX_UHFFFAOYSA_N =  5.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFRREEXTYBESJX_UHFFFAOYSA_N =  5.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFRREEXTYBESJX_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C829OOH
! formula:  C_8H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PFFZQAOPEABNHW-UHFFFAOYSA-N
Hvpx_PFFZQAOPEABNHW_UHFFFAOYSA_N =  2.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PFFZQAOPEABNHW_UHFFFAOYSA_N =  6.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PFFZQAOPEABNHW_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C82OOH
! formula:  C_8H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AQECYOJQUIJAFS-UHFFFAOYSA-N
Hvpx_AQECYOJQUIJAFS_UHFFFAOYSA_N =  6.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_AQECYOJQUIJAFS_UHFFFAOYSA_N =  8.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AQECYOJQUIJAFS_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C84OH
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HXKSWDLNZPICFQ-UHFFFAOYSA-N
Hvpx_HXKSWDLNZPICFQ_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HXKSWDLNZPICFQ_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HXKSWDLNZPICFQ_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C88OH
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DCTATDQRTQNXHW-UHFFFAOYSA-N
Hvpx_DCTATDQRTQNXHW_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DCTATDQRTQNXHW_UHFFFAOYSA_N =  5.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DCTATDQRTQNXHW_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBZOBPEROH
! formula:  C_8H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YDVGTQTYIBCIQC-UHFFFAOYSA-N
Hvpx_YDVGTQTYIBCIQC_UHFFFAOYSA_N =  2.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YDVGTQTYIBCIQC_UHFFFAOYSA_N =  6.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YDVGTQTYIBCIQC_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO34CO6C8
! formula:  C_8H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GQDVWZAGWHUXKX-UHFFFAOYSA-N
Hvpx_GQDVWZAGWHUXKX_UHFFFAOYSA_N =  5.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GQDVWZAGWHUXKX_UHFFFAOYSA_N =  3.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GQDVWZAGWHUXKX_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3CO46C8
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LLYUJOAMIUBKSA-UHFFFAOYSA-N
Hvpx_LLYUJOAMIUBKSA_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LLYUJOAMIUBKSA_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LLYUJOAMIUBKSA_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3CO6C8
! formula:  C_8H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VJDZJBNTVLGPEM-UHFFFAOYSA-N
Hvpx_VJDZJBNTVLGPEM_UHFFFAOYSA_N =  6.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VJDZJBNTVLGPEM_UHFFFAOYSA_N =  5.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VJDZJBNTVLGPEM_UHFFFAOYSA_N =  6.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYOBPEROH
! formula:  C_8H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BQJOHFWATKFGAQ-UHFFFAOYSA-N
Hvpx_BQJOHFWATKFGAQ_UHFFFAOYSA_N =  2.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BQJOHFWATKFGAQ_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BQJOHFWATKFGAQ_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYQOH
! formula:  C_8H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DNSXSYZLXRHYTM-UHFFFAOYSA-N
Hvpx_DNSXSYZLXRHYTM_UHFFFAOYSA_N =  4.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DNSXSYZLXRHYTM_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_DNSXSYZLXRHYTM_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYQOOH
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UAWVAAITGKOKNW-UHFFFAOYSA-N
Hvpx_UAWVAAITGKOKNW_UHFFFAOYSA_N =  2.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UAWVAAITGKOKNW_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UAWVAAITGKOKNW_UHFFFAOYSA_N =  9.3E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYQCO
! formula:  C_8H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QSCBEAAIZXLBQA-UHFFFAOYSA-N
Hvpx_QSCBEAAIZXLBQA_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QSCBEAAIZXLBQA_UHFFFAOYSA_N =  8.8E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_QSCBEAAIZXLBQA_UHFFFAOYSA_N =  3.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYQOH
! formula:  C_8H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LJMMKZLQFVIDLQ-UHFFFAOYSA-N
Hvpx_LJMMKZLQFVIDLQ_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LJMMKZLQFVIDLQ_UHFFFAOYSA_N =  1.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LJMMKZLQFVIDLQ_UHFFFAOYSA_N =  7.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYQOOH
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NOWQTCYBLCRAEJ-UHFFFAOYSA-N
Hvpx_NOWQTCYBLCRAEJ_UHFFFAOYSA_N =  2.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_NOWQTCYBLCRAEJ_UHFFFAOYSA_N =  4.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_NOWQTCYBLCRAEJ_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYQOH
! formula:  C_8H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RORXCXPFLRGHQV-UHFFFAOYSA-N
Hvpx_RORXCXPFLRGHQV_UHFFFAOYSA_N =  4.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RORXCXPFLRGHQV_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RORXCXPFLRGHQV_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYQOOH
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FYDHRLZPZZTRLJ-UHFFFAOYSA-N
Hvpx_FYDHRLZPZZTRLJ_UHFFFAOYSA_N =  2.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_FYDHRLZPZZTRLJ_UHFFFAOYSA_N =  1.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_FYDHRLZPZZTRLJ_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6EO2HCO3H
! formula:  C_9H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KMUWHHLOUXRZEC-UHFFFAOYSA-N
Hvpx_KMUWHHLOUXRZEC_UHFFFAOYSA_N =  3.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KMUWHHLOUXRZEC_UHFFFAOYSA_N =  3.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KMUWHHLOUXRZEC_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7MJPCO3H
! formula:  C_9H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: HVGFJXMJLWNDQT-UHFFFAOYSA-N
Hvpx_HVGFJXMJLWNDQT_UHFFFAOYSA_N =  3.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HVGFJXMJLWNDQT_UHFFFAOYSA_N =  4.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HVGFJXMJLWNDQT_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7MOCOCO3H
! formula:  C_9H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UXMGGYROBLVMKA-UHFFFAOYSA-N
Hvpx_UXMGGYROBLVMKA_UHFFFAOYSA_N =  3.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UXMGGYROBLVMKA_UHFFFAOYSA_N =  2.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UXMGGYROBLVMKA_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8M2CO6OH
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AUYUFIFJEJTOMG-UHFFFAOYSA-N
Hvpx_AUYUFIFJEJTOMG_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AUYUFIFJEJTOMG_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AUYUFIFJEJTOMG_UHFFFAOYSA_N =  6.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C917OH
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DVAQWOBQFULNSX-UHFFFAOYSA-N
Hvpx_DVAQWOBQFULNSX_UHFFFAOYSA_N =  5.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DVAQWOBQFULNSX_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DVAQWOBQFULNSX_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C920OOH
! formula:  C_9H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CXKZGZZGALDRTB-UHFFFAOYSA-N
Hvpx_CXKZGZZGALDRTB_UHFFFAOYSA_N =  8.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CXKZGZZGALDRTB_UHFFFAOYSA_N =  3.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CXKZGZZGALDRTB_UHFFFAOYSA_N =  7.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C921OOH
! formula:  C_9H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MIFQELLQXZRDIQ-UHFFFAOYSA-N
Hvpx_MIFQELLQXZRDIQ_UHFFFAOYSA_N =  4.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MIFQELLQXZRDIQ_UHFFFAOYSA_N =  1.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MIFQELLQXZRDIQ_UHFFFAOYSA_N =  7.7E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C922OOH
! formula:  C_9H_{16}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: IOTRHTNOHNKLJT-UHFFFAOYSA-N
Hvpx_IOTRHTNOHNKLJT_UHFFFAOYSA_N =  1.5E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_IOTRHTNOHNKLJT_UHFFFAOYSA_N =  7.0E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_IOTRHTNOHNKLJT_UHFFFAOYSA_N =  8.3E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C923OH
! formula:  C_9H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VZYSLJNPEGILSI-UHFFFAOYSA-N
Hvpx_VZYSLJNPEGILSI_UHFFFAOYSA_N =  1.0E-04 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_VZYSLJNPEGILSI_UHFFFAOYSA_N =  3.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VZYSLJNPEGILSI_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VZYSLJNPEGILSI_UHFFFAOYSA_N =  7.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C924CO
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IEIWFPIZSBHOOD-UHFFFAOYSA-N
Hvpx_IEIWFPIZSBHOOD_UHFFFAOYSA_N =  5.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IEIWFPIZSBHOOD_UHFFFAOYSA_N =  9.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IEIWFPIZSBHOOD_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C924OH
! formula:  C_9H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OXSRPARPRXNCEH-UHFFFAOYSA-N
Hvpx_OXSRPARPRXNCEH_UHFFFAOYSA_N =  1.5E-06 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_OXSRPARPRXNCEH_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OXSRPARPRXNCEH_UHFFFAOYSA_N =  3.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OXSRPARPRXNCEH_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C924OOH
! formula:  C_9H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BVODBOGLMHSHGK-UHFFFAOYSA-N
Hvpx_BVODBOGLMHSHGK_UHFFFAOYSA_N =  1.8E-07 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_BVODBOGLMHSHGK_UHFFFAOYSA_N =  4.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BVODBOGLMHSHGK_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BVODBOGLMHSHGK_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C925OOH
! formula:  C_9H_{16}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BGVLBDREANINMN-UHFFFAOYSA-N
Hvpx_BGVLBDREANINMN_UHFFFAOYSA_N =  6.0E-14                                  ! [atm] type: Q, ref: 3409
Hvpx_BGVLBDREANINMN_UHFFFAOYSA_N =  1.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_BGVLBDREANINMN_UHFFFAOYSA_N =  3.4E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C927OH
! formula:  C_9H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JILOVKBSEAXPMT-UHFFFAOYSA-N
Hvpx_JILOVKBSEAXPMT_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JILOVKBSEAXPMT_UHFFFAOYSA_N =  4.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JILOVKBSEAXPMT_UHFFFAOYSA_N =  5.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C927OOH
! formula:  C_9H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UVVCFFCMOUIWEJ-UHFFFAOYSA-N
Hvpx_UVVCFFCMOUIWEJ_UHFFFAOYSA_N =  7.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UVVCFFCMOUIWEJ_UHFFFAOYSA_N =  6.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UVVCFFCMOUIWEJ_UHFFFAOYSA_N =  8.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C928OH
! formula:  C_9H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QGCNXROUFNWXOO-UHFFFAOYSA-N
Hvpx_QGCNXROUFNWXOO_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QGCNXROUFNWXOO_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QGCNXROUFNWXOO_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C929CO
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BWILLNTUIBCKIM-UHFFFAOYSA-N
Hvpx_BWILLNTUIBCKIM_UHFFFAOYSA_N =  2.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BWILLNTUIBCKIM_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BWILLNTUIBCKIM_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C929OH
! formula:  C_9H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PMWQIXWFMSCXRH-UHFFFAOYSA-N
Hvpx_PMWQIXWFMSCXRH_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PMWQIXWFMSCXRH_UHFFFAOYSA_N =  9.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PMWQIXWFMSCXRH_UHFFFAOYSA_N =  7.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C929OOH
! formula:  C_9H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IKUORCWWMOEDGL-UHFFFAOYSA-N
Hvpx_IKUORCWWMOEDGL_UHFFFAOYSA_N =  1.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IKUORCWWMOEDGL_UHFFFAOYSA_N =  1.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_IKUORCWWMOEDGL_UHFFFAOYSA_N =  4.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C92OOH
! formula:  C_9H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MOTPUWPPGZYDTM-UHFFFAOYSA-N
Hvpx_MOTPUWPPGZYDTM_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MOTPUWPPGZYDTM_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MOTPUWPPGZYDTM_UHFFFAOYSA_N =  2.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C93CO
! formula:  C_9H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NCWLHDSPZIENNF-UHFFFAOYSA-N
Hvpx_NCWLHDSPZIENNF_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NCWLHDSPZIENNF_UHFFFAOYSA_N =  8.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NCWLHDSPZIENNF_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C93OH
! formula:  C_9H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XOZZRVPGLURXSY-UHFFFAOYSA-N
Hvpx_XOZZRVPGLURXSY_UHFFFAOYSA_N =  6.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XOZZRVPGLURXSY_UHFFFAOYSA_N =  3.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XOZZRVPGLURXSY_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C93OOH
! formula:  C_9H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DSWUVSMVGXSNEV-UHFFFAOYSA-N
Hvpx_DSWUVSMVGXSNEV_UHFFFAOYSA_N =  8.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DSWUVSMVGXSNEV_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DSWUVSMVGXSNEV_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C94OH
! formula:  C_9H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RCWXDPYULCSTKX-UHFFFAOYSA-N
Hvpx_RCWXDPYULCSTKX_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RCWXDPYULCSTKX_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RCWXDPYULCSTKX_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C96OH
! formula:  C_9H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RRFQMYCDTHUGSU-UHFFFAOYSA-N
Hvpx_RRFQMYCDTHUGSU_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RRFQMYCDTHUGSU_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RRFQMYCDTHUGSU_UHFFFAOYSA_N =  3.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C97OH
! formula:  C_9H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QWYKJUJQBVIHQW-UHFFFAOYSA-N
Hvpx_QWYKJUJQBVIHQW_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QWYKJUJQBVIHQW_UHFFFAOYSA_N =  4.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QWYKJUJQBVIHQW_UHFFFAOYSA_N =  6.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C97OOH
! formula:  C_9H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AXRJNDGSGFVBSX-UHFFFAOYSA-N
Hvpx_AXRJNDGSGFVBSX_UHFFFAOYSA_N =  6.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_AXRJNDGSGFVBSX_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AXRJNDGSGFVBSX_UHFFFAOYSA_N =  2.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C98OH
! formula:  C_9H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BWKWRXKCGJAJAO-UHFFFAOYSA-N
Hvpx_BWKWRXKCGJAJAO_UHFFFAOYSA_N =  5.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_BWKWRXKCGJAJAO_UHFFFAOYSA_N =  5.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_BWKWRXKCGJAJAO_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C98OOH
! formula:  C_9H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MEUGYCLQCHCPCY-UHFFFAOYSA-N
Hvpx_MEUGYCLQCHCPCY_UHFFFAOYSA_N =  1.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MEUGYCLQCHCPCY_UHFFFAOYSA_N =  1.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MEUGYCLQCHCPCY_UHFFFAOYSA_N =  5.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C9DCOH
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DIFRJFLUSYQBJM-UHFFFAOYSA-N
Hvpx_DIFRJFLUSYQBJM_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DIFRJFLUSYQBJM_UHFFFAOYSA_N =  2.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DIFRJFLUSYQBJM_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO4CO7C9
! formula:  C_9H_{18}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BPRAKHMXALGYKO-UHFFFAOYSA-N
Hvpx_BPRAKHMXALGYKO_UHFFFAOYSA_N =  8.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BPRAKHMXALGYKO_UHFFFAOYSA_N =  6.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BPRAKHMXALGYKO_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBZOBPROH
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WRQNGVASMLSOGA-UHFFFAOYSA-N
Hvpx_WRQNGVASMLSOGA_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WRQNGVASMLSOGA_UHFFFAOYSA_N =  7.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WRQNGVASMLSOGA_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRBQCO
! formula:  C_9H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UYSSVGYDANWBFJ-UHFFFAOYSA-N
Hvpx_UYSSVGYDANWBFJ_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UYSSVGYDANWBFJ_UHFFFAOYSA_N =  2.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UYSSVGYDANWBFJ_UHFFFAOYSA_N =  4.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRBQOH
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BQKYQBQGKYWJSQ-UHFFFAOYSA-N
Hvpx_BQKYQBQGKYWJSQ_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BQKYQBQGKYWJSQ_UHFFFAOYSA_N =  3.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_BQKYQBQGKYWJSQ_UHFFFAOYSA_N =  7.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRBQOOH
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CCPBRYDTGCPJNX-UHFFFAOYSA-N
Hvpx_CCPBRYDTGCPJNX_UHFFFAOYSA_N =  1.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_CCPBRYDTGCPJNX_UHFFFAOYSA_N =  7.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_CCPBRYDTGCPJNX_UHFFFAOYSA_N =  4.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LMKAOH
! formula:  C_9H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RDFFVUMNEKCADL-UHFFFAOYSA-N
Hvpx_RDFFVUMNEKCADL_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RDFFVUMNEKCADL_UHFFFAOYSA_N =  8.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RDFFVUMNEKCADL_UHFFFAOYSA_N =  4.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LMKAOOH
! formula:  C_9H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZYSXBTHWQDNLBX-UHFFFAOYSA-N
Hvpx_ZYSXBTHWQDNLBX_UHFFFAOYSA_N =  3.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZYSXBTHWQDNLBX_UHFFFAOYSA_N =  2.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZYSXBTHWQDNLBX_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LMKBCO
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QJYRJOZGIVJKQK-UHFFFAOYSA-N
Hvpx_QJYRJOZGIVJKQK_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QJYRJOZGIVJKQK_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QJYRJOZGIVJKQK_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LMKBOOH
! formula:  C_9H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PMLHMEIQMSUJKR-UHFFFAOYSA-N
Hvpx_PMLHMEIQMSUJKR_UHFFFAOYSA_N =  3.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PMLHMEIQMSUJKR_UHFFFAOYSA_N =  2.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PMLHMEIQMSUJKR_UHFFFAOYSA_N =  6.1E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLOBPROH
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZSTYNOBMCJBFRA-UHFFFAOYSA-N
Hvpx_ZSTYNOBMCJBFRA_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSTYNOBMCJBFRA_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSTYNOBMCJBFRA_UHFFFAOYSA_N =  2.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLQOH
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YIUSRNITCRMQJW-UHFFFAOYSA-N
Hvpx_YIUSRNITCRMQJW_UHFFFAOYSA_N =  5.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YIUSRNITCRMQJW_UHFFFAOYSA_N =  2.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_YIUSRNITCRMQJW_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLQOOH
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JBNOKZJMGKNXDA-UHFFFAOYSA-N
Hvpx_JBNOKZJMGKNXDA_UHFFFAOYSA_N =  3.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_JBNOKZJMGKNXDA_UHFFFAOYSA_N =  4.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JBNOKZJMGKNXDA_UHFFFAOYSA_N =  9.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINAOH
! formula:  C_9H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CVWGOJDPALGYKB-UHFFFAOYSA-N
Hvpx_CVWGOJDPALGYKB_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CVWGOJDPALGYKB_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CVWGOJDPALGYKB_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINBOH
! formula:  C_9H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FPBMXOVOMRHDTB-UHFFFAOYSA-N
Hvpx_FPBMXOVOMRHDTB_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FPBMXOVOMRHDTB_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FPBMXOVOMRHDTB_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINCOH
! formula:  C_9H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OXRZVROAQQDWAA-UHFFFAOYSA-N
Hvpx_OXRZVROAQQDWAA_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OXRZVROAQQDWAA_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OXRZVROAQQDWAA_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINDOH
! formula:  C_9H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MLOBETUCFXAOOL-UHFFFAOYSA-N
Hvpx_MLOBETUCFXAOOL_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MLOBETUCFXAOOL_UHFFFAOYSA_N =  7.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MLOBETUCFXAOOL_UHFFFAOYSA_N =  6.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLQCO
! formula:  C_9H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WOEKXHYIEUECKR-UHFFFAOYSA-N
Hvpx_WOEKXHYIEUECKR_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WOEKXHYIEUECKR_UHFFFAOYSA_N =  1.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WOEKXHYIEUECKR_UHFFFAOYSA_N =  5.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLQOH
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DZHQWTGZQAKVBN-UHFFFAOYSA-N
Hvpx_DZHQWTGZQAKVBN_UHFFFAOYSA_N =  4.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DZHQWTGZQAKVBN_UHFFFAOYSA_N =  2.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_DZHQWTGZQAKVBN_UHFFFAOYSA_N =  9.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLQOOH
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KKWSBZSFLIKUTL-UHFFFAOYSA-N
Hvpx_KKWSBZSFLIKUTL_UHFFFAOYSA_N =  2.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KKWSBZSFLIKUTL_UHFFFAOYSA_N =  6.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KKWSBZSFLIKUTL_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZOBPEROH
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JGNLEXNHGWFGHL-UHFFFAOYSA-N
Hvpx_JGNLEXNHGWFGHL_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JGNLEXNHGWFGHL_UHFFFAOYSA_N =  9.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JGNLEXNHGWFGHL_UHFFFAOYSA_N =  9.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLQOH
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KZOAJFYPECZGSC-UHFFFAOYSA-N
Hvpx_KZOAJFYPECZGSC_UHFFFAOYSA_N =  5.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KZOAJFYPECZGSC_UHFFFAOYSA_N =  2.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KZOAJFYPECZGSC_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLQOOH
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BJRXYYOXPIRVAX-UHFFFAOYSA-N
Hvpx_BJRXYYOXPIRVAX_UHFFFAOYSA_N =  3.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_BJRXYYOXPIRVAX_UHFFFAOYSA_N =  2.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_BJRXYYOXPIRVAX_UHFFFAOYSA_N =  2.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123OBPOH
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WQSRSICCLTUNRX-UHFFFAOYSA-N
Hvpx_WQSRSICCLTUNRX_UHFFFAOYSA_N =  5.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WQSRSICCLTUNRX_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WQSRSICCLTUNRX_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124QOH
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GVKLCWOTVYVOTB-UHFFFAOYSA-N
Hvpx_GVKLCWOTVYVOTB_UHFFFAOYSA_N =  6.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GVKLCWOTVYVOTB_UHFFFAOYSA_N =  3.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GVKLCWOTVYVOTB_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124QOOH
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SLEWHRYFRSXVOQ-UHFFFAOYSA-N
Hvpx_SLEWHRYFRSXVOQ_UHFFFAOYSA_N =  4.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_SLEWHRYFRSXVOQ_UHFFFAOYSA_N =  2.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_SLEWHRYFRSXVOQ_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM135OBPOH
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MWFXWFJYOSXFGA-UHFFFAOYSA-N
Hvpx_MWFXWFJYOSXFGA_UHFFFAOYSA_N =  4.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MWFXWFJYOSXFGA_UHFFFAOYSA_N =  2.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MWFXWFJYOSXFGA_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:APINBCO
! formula:  C_{10}H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VZRRCQOUNSHSGB-UHFFFAOYSA-N
Hvpx_VZRRCQOUNSHSGB_UHFFFAOYSA_N =  3.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VZRRCQOUNSHSGB_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VZRRCQOUNSHSGB_UHFFFAOYSA_N =  4.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1011OH
! formula:  C_{10}H_{18}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FSFKNSSBELMLGT-UHFFFAOYSA-N
Hvpx_FSFKNSSBELMLGT_UHFFFAOYSA_N =  4.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FSFKNSSBELMLGT_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FSFKNSSBELMLGT_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C102OOH
! formula:  C_{10}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QHLMVJFPSLBXKZ-UHFFFAOYSA-N
Hvpx_QHLMVJFPSLBXKZ_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QHLMVJFPSLBXKZ_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QHLMVJFPSLBXKZ_UHFFFAOYSA_N =  5.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C103CO
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QIIAZEBRWZSMOM-UHFFFAOYSA-N
Hvpx_QIIAZEBRWZSMOM_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QIIAZEBRWZSMOM_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QIIAZEBRWZSMOM_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C103OH
! formula:  C_{10}H_{20}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SXEGIXJYQPFAQK-UHFFFAOYSA-N
Hvpx_SXEGIXJYQPFAQK_UHFFFAOYSA_N =  7.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SXEGIXJYQPFAQK_UHFFFAOYSA_N =  4.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SXEGIXJYQPFAQK_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C103OOH
! formula:  C_{10}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DOFXWCNTKGZWNU-UHFFFAOYSA-N
Hvpx_DOFXWCNTKGZWNU_UHFFFAOYSA_N =  9.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DOFXWCNTKGZWNU_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DOFXWCNTKGZWNU_UHFFFAOYSA_N =  4.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C104OH
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FHITZQAABUJLCH-UHFFFAOYSA-N
Hvpx_FHITZQAABUJLCH_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FHITZQAABUJLCH_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FHITZQAABUJLCH_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C920CO3H
! formula:  C_{10}H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OFVMBWQGLFFRLM-UHFFFAOYSA-N
Hvpx_OFVMBWQGLFFRLM_UHFFFAOYSA_N =  8.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OFVMBWQGLFFRLM_UHFFFAOYSA_N =  6.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OFVMBWQGLFFRLM_UHFFFAOYSA_N =  5.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C9M2CO6OH
! formula:  C_{10}H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SLPXKTFAPIGCFF-UHFFFAOYSA-N
Hvpx_SLPXKTFAPIGCFF_UHFFFAOYSA_N =  9.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SLPXKTFAPIGCFF_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SLPXKTFAPIGCFF_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMEOBPROH
! formula:  C_{10}H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZCTKJUASOMJGQC-UHFFFAOYSA-N
Hvpx_ZCTKJUASOMJGQC_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZCTKJUASOMJGQC_UHFFFAOYSA_N =  4.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZCTKJUASOMJGQC_UHFFFAOYSA_N =  5.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO5CO8C10
! formula:  C_{10}H_{20}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GDOWVFFRHQHNBZ-UHFFFAOYSA-N
Hvpx_GDOWVFFRHQHNBZ_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GDOWVFFRHQHNBZ_UHFFFAOYSA_N =  7.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GDOWVFFRHQHNBZ_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMBCO
! formula:  C_{10}H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JEQLRDRDFLXSHY-UHFFFAOYSA-N
Hvpx_JEQLRDRDFLXSHY_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JEQLRDRDFLXSHY_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JEQLRDRDFLXSHY_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C112OOH
! formula:  C_{11}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IFXOTQISYXBGBQ-UHFFFAOYSA-N
Hvpx_IFXOTQISYXBGBQ_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IFXOTQISYXBGBQ_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IFXOTQISYXBGBQ_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C113CO
! formula:  C_{11}H_{20}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VJVDGYIYRBYKOQ-UHFFFAOYSA-N
Hvpx_VJVDGYIYRBYKOQ_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VJVDGYIYRBYKOQ_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VJVDGYIYRBYKOQ_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C113OH
! formula:  C_{11}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IBMABDXBRFZEGO-UHFFFAOYSA-N
Hvpx_IBMABDXBRFZEGO_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IBMABDXBRFZEGO_UHFFFAOYSA_N =  5.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IBMABDXBRFZEGO_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C113OOH
! formula:  C_{11}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PBWNXGFXFCLKSE-UHFFFAOYSA-N
Hvpx_PBWNXGFXFCLKSE_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PBWNXGFXFCLKSE_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PBWNXGFXFCLKSE_UHFFFAOYSA_N =  6.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C114OH
! formula:  C_{11}H_{20}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UGVQLPIEIICAJP-UHFFFAOYSA-N
Hvpx_UGVQLPIEIICAJP_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UGVQLPIEIICAJP_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UGVQLPIEIICAJP_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DETLOBPROH
! formula:  C_{11}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QNKVJNYVFVQVHN-UHFFFAOYSA-N
Hvpx_QNKVJNYVFVQVHN_UHFFFAOYSA_N =  6.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QNKVJNYVFVQVHN_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QNKVJNYVFVQVHN_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO6CO9C11
! formula:  C_{11}H_{22}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HEIFQPPUFKWMSE-UHFFFAOYSA-N
Hvpx_HEIFQPPUFKWMSE_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HEIFQPPUFKWMSE_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HEIFQPPUFKWMSE_UHFFFAOYSA_N =  9.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C122OOH
! formula:  C_{12}H_{24}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PWTYXUGOJRDLPW-UHFFFAOYSA-N
Hvpx_PWTYXUGOJRDLPW_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PWTYXUGOJRDLPW_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PWTYXUGOJRDLPW_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C123CO
! formula:  C_{12}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IVLDSNPYDYHHKW-UHFFFAOYSA-N
Hvpx_IVLDSNPYDYHHKW_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IVLDSNPYDYHHKW_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IVLDSNPYDYHHKW_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C123OH
! formula:  C_{12}H_{24}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FTSJAGYKUWYWCN-UHFFFAOYSA-N
Hvpx_FTSJAGYKUWYWCN_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FTSJAGYKUWYWCN_UHFFFAOYSA_N =  5.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FTSJAGYKUWYWCN_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C123OOH
! formula:  C_{12}H_{24}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YANZHJXFRFYAEY-UHFFFAOYSA-N
Hvpx_YANZHJXFRFYAEY_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YANZHJXFRFYAEY_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YANZHJXFRFYAEY_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C124OH
! formula:  C_{12}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ABVYFIKKAQHKSN-UHFFFAOYSA-N
Hvpx_ABVYFIKKAQHKSN_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ABVYFIKKAQHKSN_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ABVYFIKKAQHKSN_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO7CO10C12
! formula:  C_{12}H_{24}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: AJDNADCNQXGLCC-UHFFFAOYSA-N
Hvpx_AJDNADCNQXGLCC_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AJDNADCNQXGLCC_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AJDNADCNQXGLCC_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C131OH
! formula:  C_{13}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AONUZHGLRYBQFR-UHFFFAOYSA-N
Hvpx_AONUZHGLRYBQFR_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AONUZHGLRYBQFR_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AONUZHGLRYBQFR_UHFFFAOYSA_N =  5.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C132OH
! formula:  C_{13}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FIXMRMMYQTVSPU-UHFFFAOYSA-N
Hvpx_FIXMRMMYQTVSPU_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FIXMRMMYQTVSPU_UHFFFAOYSA_N =  1.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_FIXMRMMYQTVSPU_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C132OOH
! formula:  C_{13}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VUANIPKMYHABIK-UHFFFAOYSA-N
Hvpx_VUANIPKMYHABIK_UHFFFAOYSA_N =  1.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_VUANIPKMYHABIK_UHFFFAOYSA_N =  3.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_VUANIPKMYHABIK_UHFFFAOYSA_N =  5.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C133CO
! formula:  C_{13}H_{20}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NSPNCPQPMIIWRH-UHFFFAOYSA-N
Hvpx_NSPNCPQPMIIWRH_UHFFFAOYSA_N =  7.7E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_NSPNCPQPMIIWRH_UHFFFAOYSA_N =  1.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_NSPNCPQPMIIWRH_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C133OH
! formula:  C_{13}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PJPMMZIOBGUFRQ-UHFFFAOYSA-N
Hvpx_PJPMMZIOBGUFRQ_UHFFFAOYSA_N =  1.7E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_PJPMMZIOBGUFRQ_UHFFFAOYSA_N =  9.1E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_PJPMMZIOBGUFRQ_UHFFFAOYSA_N =  6.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C133OOH
! formula:  C_{13}H_{22}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: TWNMHUJEMNHLMV-UHFFFAOYSA-N
Hvpx_TWNMHUJEMNHLMV_UHFFFAOYSA_N =  6.4E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_TWNMHUJEMNHLMV_UHFFFAOYSA_N =  1.5E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_TWNMHUJEMNHLMV_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C134CO
! formula:  C_{13}H_{18}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: XVPKZNMZKWIEGC-UHFFFAOYSA-N
Hvpx_XVPKZNMZKWIEGC_UHFFFAOYSA_N =  1.2E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_XVPKZNMZKWIEGC_UHFFFAOYSA_N =  2.3E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_XVPKZNMZKWIEGC_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C134OH
! formula:  C_{13}H_{20}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CKMYGJKMMJWXII-UHFFFAOYSA-N
Hvpx_CKMYGJKMMJWXII_UHFFFAOYSA_N =  5.3E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_CKMYGJKMMJWXII_UHFFFAOYSA_N =  4.9E-14                                  ! [atm] type: Q, ref: 3409
Hvpx_CKMYGJKMMJWXII_UHFFFAOYSA_N =  6.3E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C134OOH
! formula:  C_{13}H_{20}O_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: RYVAPXIZXOQMSU-UHFFFAOYSA-N
Hvpx_RYVAPXIZXOQMSU_UHFFFAOYSA_N =  8.1E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_RYVAPXIZXOQMSU_UHFFFAOYSA_N =  3.1E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_RYVAPXIZXOQMSU_UHFFFAOYSA_N =  2.3E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C135OOH
! formula:  C_{13}H_{18}O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: VAECXYXKQRKKGE-UHFFFAOYSA-N
Hvpx_VAECXYXKQRKKGE_UHFFFAOYSA_N =  1.1E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_VAECXYXKQRKKGE_UHFFFAOYSA_N =  8.3E-15                                  ! [atm] type: Q, ref: 3409
Hvpx_VAECXYXKQRKKGE_UHFFFAOYSA_N =  5.7E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCKAOH
! formula:  C_{14}H_{24}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ARSAOHGCYSGONM-UHFFFAOYSA-N
Hvpx_ARSAOHGCYSGONM_UHFFFAOYSA_N =  2.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ARSAOHGCYSGONM_UHFFFAOYSA_N =  6.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ARSAOHGCYSGONM_UHFFFAOYSA_N =  7.2E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCKAOOH
! formula:  C_{14}H_{24}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OXLVMLPVWDEZIL-UHFFFAOYSA-N
Hvpx_OXLVMLPVWDEZIL_UHFFFAOYSA_N =  3.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OXLVMLPVWDEZIL_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OXLVMLPVWDEZIL_UHFFFAOYSA_N =  7.0E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCKBCO
! formula:  C_{14}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IWYBCVOMQFEOMA-UHFFFAOYSA-N
Hvpx_IWYBCVOMQFEOMA_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IWYBCVOMQFEOMA_UHFFFAOYSA_N =  7.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IWYBCVOMQFEOMA_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCKBOOH
! formula:  C_{14}H_{24}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SISQWITWYDFXLW-UHFFFAOYSA-N
Hvpx_SISQWITWYDFXLW_UHFFFAOYSA_N =  3.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SISQWITWYDFXLW_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SISQWITWYDFXLW_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C141OH
! formula:  C_{14}H_{24}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OMNNANPOKVZFEY-UHFFFAOYSA-N
Hvpx_OMNNANPOKVZFEY_UHFFFAOYSA_N =  3.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OMNNANPOKVZFEY_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OMNNANPOKVZFEY_UHFFFAOYSA_N =  7.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C142OH
! formula:  C_{14}H_{24}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: TZIWCZUVZZOIAP-UHFFFAOYSA-N
Hvpx_TZIWCZUVZZOIAP_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_TZIWCZUVZZOIAP_UHFFFAOYSA_N =  6.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_TZIWCZUVZZOIAP_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C142OOH
! formula:  C_{14}H_{24}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OJVOLXXWTGQGEJ-UHFFFAOYSA-N
Hvpx_OJVOLXXWTGQGEJ_UHFFFAOYSA_N =  7.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OJVOLXXWTGQGEJ_UHFFFAOYSA_N =  3.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OJVOLXXWTGQGEJ_UHFFFAOYSA_N =  2.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C143CO
! formula:  C_{14}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IPHIBGAHOYIGTO-UHFFFAOYSA-N
Hvpx_IPHIBGAHOYIGTO_UHFFFAOYSA_N =  2.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_IPHIBGAHOYIGTO_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_IPHIBGAHOYIGTO_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C143OH
! formula:  C_{14}H_{24}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PUMKKTACSBJGTI-UHFFFAOYSA-N
Hvpx_PUMKKTACSBJGTI_UHFFFAOYSA_N =  6.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PUMKKTACSBJGTI_UHFFFAOYSA_N =  1.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PUMKKTACSBJGTI_UHFFFAOYSA_N =  2.4E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C143OOH
! formula:  C_{14}H_{24}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FMXAUTXFPHKMFA-UHFFFAOYSA-N
Hvpx_FMXAUTXFPHKMFA_UHFFFAOYSA_N =  2.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_FMXAUTXFPHKMFA_UHFFFAOYSA_N =  1.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_FMXAUTXFPHKMFA_UHFFFAOYSA_N =  5.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C145OH
! formula:  C_{14}H_{24}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CADDZNHIARUDOF-UHFFFAOYSA-N
Hvpx_CADDZNHIARUDOF_UHFFFAOYSA_N =  5.2E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_CADDZNHIARUDOF_UHFFFAOYSA_N =  1.8E-14                                  ! [atm] type: Q, ref: 3409
Hvpx_CADDZNHIARUDOF_UHFFFAOYSA_N =  3.6E-10                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C145OOH
! formula:  C_{14}H_{24}O_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: CEBXMSFHIDLJKH-UHFFFAOYSA-N
Hvpx_CEBXMSFHIDLJKH_UHFFFAOYSA_N =  3.6E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_CEBXMSFHIDLJKH_UHFFFAOYSA_N =  1.1E-14                                  ! [atm] type: Q, ref: 3409
Hvpx_CEBXMSFHIDLJKH_UHFFFAOYSA_N =  3.0E-11                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCBCO
! formula:  C_{15}H_{24}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VLNGGDKMXDHPMK-UHFFFAOYSA-N
Hvpx_VLNGGDKMXDHPMK_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VLNGGDKMXDHPMK_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VLNGGDKMXDHPMK_UHFFFAOYSA_N =  6.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHCOMEOH
! formula:  C_8H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZWVHTXAYIKBMEE-UHFFFAOYSA-N
Hvpx_ZWVHTXAYIKBMEE_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZWVHTXAYIKBMEE_UHFFFAOYSA_N =  4.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZWVHTXAYIKBMEE_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MPHCOMEOH
! formula:  C_9H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CEJINNSYZFLSCS-UHFFFAOYSA-N
Hvpx_CEJINNSYZFLSCS_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CEJINNSYZFLSCS_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CEJINNSYZFLSCS_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHCOETOH
! formula:  C_9H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: WLVPRARCUSRDNI-UHFFFAOYSA-N
Hvpx_WLVPRARCUSRDNI_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WLVPRARCUSRDNI_UHFFFAOYSA_N =  7.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WLVPRARCUSRDNI_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMPHCOMOH
! formula:  C_{10}H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: DBYMZNOFJHQFFD-UHFFFAOYSA-N
Hvpx_DBYMZNOFJHQFFD_UHFFFAOYSA_N =  5.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DBYMZNOFJHQFFD_UHFFFAOYSA_N =  7.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DBYMZNOFJHQFFD_UHFFFAOYSA_N =  5.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EMPHCOMOH
! formula:  C_{11}H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MHJXTDDYZBYNEF-UHFFFAOYSA-N
Hvpx_MHJXTDDYZBYNEF_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MHJXTDDYZBYNEF_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MHJXTDDYZBYNEF_UHFFFAOYSA_N =  6.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ALCOCH2OOH
! formula:  C_3H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RQBGWFCHIWSUOK-UHFFFAOYSA-N
Hvpx_RQBGWFCHIWSUOK_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RQBGWFCHIWSUOK_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RQBGWFCHIWSUOK_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C33CO
! formula:  C_3H_2O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ICQNCHSXWNQIHC-UHFFFAOYSA-N
Hvpx_ICQNCHSXWNQIHC_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ICQNCHSXWNQIHC_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ICQNCHSXWNQIHC_UHFFFAOYSA_N =  1.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C312COCO3H
! formula:  C_4H_4O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GUGBJTDAGNLAJO-UHFFFAOYSA-N
Hvpx_GUGBJTDAGNLAJO_UHFFFAOYSA_N =  1.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GUGBJTDAGNLAJO_UHFFFAOYSA_N =  1.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GUGBJTDAGNLAJO_UHFFFAOYSA_N =  6.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C413COOOH
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XUKQQLOKOLCMAI-UHFFFAOYSA-N
Hvpx_XUKQQLOKOLCMAI_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XUKQQLOKOLCMAI_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XUKQQLOKOLCMAI_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4CO2OOH
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NOBUEMWCPQFCCN-UHFFFAOYSA-N
Hvpx_NOBUEMWCPQFCCN_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NOBUEMWCPQFCCN_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NOBUEMWCPQFCCN_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4CODIAL
! formula:  C_4H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OWIMZZMOFXSCLT-UHFFFAOYSA-N
Hvpx_OWIMZZMOFXSCLT_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OWIMZZMOFXSCLT_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OWIMZZMOFXSCLT_UHFFFAOYSA_N =  2.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO23C3CHO
! formula:  C_4H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LVZOZHOAAHWEOQ-UHFFFAOYSA-N
Hvpx_LVZOZHOAAHWEOQ_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LVZOZHOAAHWEOQ_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LVZOZHOAAHWEOQ_UHFFFAOYSA_N =  3.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2C3CHO
! formula:  C_4H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PKQIDSVLSKFZQC-UHFFFAOYSA-N
Hvpx_PKQIDSVLSKFZQC_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PKQIDSVLSKFZQC_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PKQIDSVLSKFZQC_UHFFFAOYSA_N =  3.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2C4DIAL
! formula:  C_4H_2O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OURVMEXCDVXLPR-UHFFFAOYSA-N
Hvpx_OURVMEXCDVXLPR_UHFFFAOYSA_N =  1.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OURVMEXCDVXLPR_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OURVMEXCDVXLPR_UHFFFAOYSA_N =  5.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EGLYOX
! formula:  C_4H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RWHQMRRVZJSKGX-UHFFFAOYSA-N
Hvpx_RWHQMRRVZJSKGX_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RWHQMRRVZJSKGX_UHFFFAOYSA_N =  6.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RWHQMRRVZJSKGX_UHFFFAOYSA_N =  2.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:VGLYOX
! formula:  C_4H_4O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SDQVYUNYDAWYIK-UHFFFAOYSA-N
Hvpx_SDQVYUNYDAWYIK_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SDQVYUNYDAWYIK_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SDQVYUNYDAWYIK_UHFFFAOYSA_N =  1.6E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4CO2DCO3H
! formula:  C_5H_4O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AXIVSVGHKYPZBE-UHFFFAOYSA-N
Hvpx_AXIVSVGHKYPZBE_UHFFFAOYSA_N =  3.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_AXIVSVGHKYPZBE_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AXIVSVGHKYPZBE_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4MCO2OOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RKGLOUQDKXPRQL-UHFFFAOYSA-N
Hvpx_RKGLOUQDKXPRQL_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RKGLOUQDKXPRQL_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RKGLOUQDKXPRQL_UHFFFAOYSA_N =  8.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C511OOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NBNOBTZXOPWFTP-UHFFFAOYSA-N
Hvpx_NBNOBTZXOPWFTP_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NBNOBTZXOPWFTP_UHFFFAOYSA_N =  7.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NBNOBTZXOPWFTP_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5124COOOH
! formula:  C_5H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BXDCDQOWFJMSCY-UHFFFAOYSA-N
Hvpx_BXDCDQOWFJMSCY_UHFFFAOYSA_N =  2.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_BXDCDQOWFJMSCY_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BXDCDQOWFJMSCY_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C512OOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UGOJGQBYBBLKDX-UHFFFAOYSA-N
Hvpx_UGOJGQBYBBLKDX_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UGOJGQBYBBLKDX_UHFFFAOYSA_N =  5.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UGOJGQBYBBLKDX_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C515CO
! formula:  C_5H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OONLUXUUWPUJOU-UHFFFAOYSA-N
Hvpx_OONLUXUUWPUJOU_UHFFFAOYSA_N =  2.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OONLUXUUWPUJOU_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OONLUXUUWPUJOU_UHFFFAOYSA_N =  3.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C515OOH
! formula:  C_5H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KCJJHAINVUWKSI-UHFFFAOYSA-N
Hvpx_KCJJHAINVUWKSI_UHFFFAOYSA_N =  2.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KCJJHAINVUWKSI_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KCJJHAINVUWKSI_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C54CO
! formula:  C_5H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KDLDWLXQVYMIBX-UHFFFAOYSA-N
Hvpx_KDLDWLXQVYMIBX_UHFFFAOYSA_N =  2.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KDLDWLXQVYMIBX_UHFFFAOYSA_N =  9.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KDLDWLXQVYMIBX_UHFFFAOYSA_N =  9.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CO23CHO
! formula:  C_5H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IPHREVVCPNNUEQ-UHFFFAOYSA-N
Hvpx_IPHREVVCPNNUEQ_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IPHREVVCPNNUEQ_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IPHREVVCPNNUEQ_UHFFFAOYSA_N =  4.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5COCHOOOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QJMOTDLHJFXUFN-UHFFFAOYSA-N
Hvpx_QJMOTDLHJFXUFN_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QJMOTDLHJFXUFN_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QJMOTDLHJFXUFN_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5DIALCO
! formula:  C_5H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SFSCHQJUYKUKJM-UHFFFAOYSA-N
Hvpx_SFSCHQJUYKUKJM_UHFFFAOYSA_N =  3.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SFSCHQJUYKUKJM_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SFSCHQJUYKUKJM_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5DICARB
! formula:  C_5H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GBLMMVFQENXAFZ-UHFFFAOYSA-N
Hvpx_GBLMMVFQENXAFZ_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GBLMMVFQENXAFZ_UHFFFAOYSA_N =  5.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GBLMMVFQENXAFZ_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOC3COOOH
! formula:  C_5H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KFSMXRNQWYDJRM-UHFFFAOYSA-N
Hvpx_KFSMXRNQWYDJRM_UHFFFAOYSA_N =  1.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KFSMXRNQWYDJRM_UHFFFAOYSA_N =  7.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KFSMXRNQWYDJRM_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO12C4CHO
! formula:  C_5H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VUSMENNBCBGZQI-UHFFFAOYSA-N
Hvpx_VUSMENNBCBGZQI_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VUSMENNBCBGZQI_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VUSMENNBCBGZQI_UHFFFAOYSA_N =  3.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO13C4CHO
! formula:  C_5H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SSMCSEDSANTCBB-UHFFFAOYSA-N
Hvpx_SSMCSEDSANTCBB_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SSMCSEDSANTCBB_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SSMCSEDSANTCBB_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO23C4CHO
! formula:  C_5H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QGGCMCHYJIPQCE-UHFFFAOYSA-N
Hvpx_QGGCMCHYJIPQCE_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QGGCMCHYJIPQCE_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QGGCMCHYJIPQCE_UHFFFAOYSA_N =  7.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO24C4CHO
! formula:  C_5H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XHTYNUBGBUBFOA-UHFFFAOYSA-N
Hvpx_XHTYNUBGBUBFOA_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XHTYNUBGBUBFOA_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XHTYNUBGBUBFOA_UHFFFAOYSA_N =  5.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2C43CHO
! formula:  C_5H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: KNTLTMLEQPLVDA-UHFFFAOYSA-N
Hvpx_KNTLTMLEQPLVDA_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KNTLTMLEQPLVDA_UHFFFAOYSA_N =  3.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KNTLTMLEQPLVDA_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2C4CHO
! formula:  C_5H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: KEHNRUNQZGRQHU-UHFFFAOYSA-N
Hvpx_KEHNRUNQZGRQHU_UHFFFAOYSA_N =  9.9E-04 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_KEHNRUNQZGRQHU_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KEHNRUNQZGRQHU_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KEHNRUNQZGRQHU_UHFFFAOYSA_N =  7.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3C4CHO
! formula:  C_5H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZNNXJRURXWWGLN-UHFFFAOYSA-N
Hvpx_ZNNXJRURXWWGLN_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZNNXJRURXWWGLN_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZNNXJRURXWWGLN_UHFFFAOYSA_N =  8.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRGLYOX
! formula:  C_5H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FTDZDHIBENIBKZ-UHFFFAOYSA-N
Hvpx_FTDZDHIBENIBKZ_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FTDZDHIBENIBKZ_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FTDZDHIBENIBKZ_UHFFFAOYSA_N =  2.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PGLYOX
! formula:  C_5H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GDTHVMAIBQVUMV-UHFFFAOYSA-N
Hvpx_GDTHVMAIBQVUMV_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GDTHVMAIBQVUMV_UHFFFAOYSA_N =  9.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GDTHVMAIBQVUMV_UHFFFAOYSA_N =  2.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23C54CHO
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CBIOWOAHGWGTSI-UHFFFAOYSA-N
Hvpx_CBIOWOAHGWGTSI_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CBIOWOAHGWGTSI_UHFFFAOYSA_N =  7.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CBIOWOAHGWGTSI_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3COCCHO
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PVLKSJIUOKAUMV-UHFFFAOYSA-N
Hvpx_PVLKSJIUOKAUMV_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PVLKSJIUOKAUMV_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PVLKSJIUOKAUMV_UHFFFAOYSA_N =  7.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C45IC5CHO
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WETHXHAOPNKQLZ-UHFFFAOYSA-N
Hvpx_WETHXHAOPNKQLZ_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WETHXHAOPNKQLZ_UHFFFAOYSA_N =  6.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WETHXHAOPNKQLZ_UHFFFAOYSA_N =  1.2E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4ECO2OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CMRDMVGIWXQQFX-UHFFFAOYSA-N
Hvpx_CMRDMVGIWXQQFX_UHFFFAOYSA_N =  3.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CMRDMVGIWXQQFX_UHFFFAOYSA_N =  3.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CMRDMVGIWXQQFX_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C511CHO
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SLKPDJWOVVFRFW-UHFFFAOYSA-N
Hvpx_SLKPDJWOVVFRFW_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SLKPDJWOVVFRFW_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SLKPDJWOVVFRFW_UHFFFAOYSA_N =  3.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C511CO3H
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PKVJBWZRBQBAMT-UHFFFAOYSA-N
Hvpx_PKVJBWZRBQBAMT_UHFFFAOYSA_N =  1.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PKVJBWZRBQBAMT_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PKVJBWZRBQBAMT_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C512CO3H
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OPLKNVAQLNTMAR-UHFFFAOYSA-N
Hvpx_OPLKNVAQLNTMAR_UHFFFAOYSA_N =  1.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OPLKNVAQLNTMAR_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OPLKNVAQLNTMAR_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C515CHO
! formula:  C_6H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JHVNJBQABGTRPH-UHFFFAOYSA-N
Hvpx_JHVNJBQABGTRPH_UHFFFAOYSA_N =  2.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JHVNJBQABGTRPH_UHFFFAOYSA_N =  6.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JHVNJBQABGTRPH_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C515CO3H
! formula:  C_6H_6O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: XPLLKUAMAYNXAT-UHFFFAOYSA-N
Hvpx_XPLLKUAMAYNXAT_UHFFFAOYSA_N =  2.4E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_XPLLKUAMAYNXAT_UHFFFAOYSA_N =  5.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XPLLKUAMAYNXAT_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CO2DCO3H
! formula:  C_6H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DHHXAZIZMIZDQV-UHFFFAOYSA-N
Hvpx_DHHXAZIZMIZDQV_UHFFFAOYSA_N =  4.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_DHHXAZIZMIZDQV_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DHHXAZIZMIZDQV_UHFFFAOYSA_N =  1.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5DCO2CO3H
! formula:  C_6H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GJOWGOOSLUXRQO-UHFFFAOYSA-N
Hvpx_GJOWGOOSLUXRQO_UHFFFAOYSA_N =  4.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GJOWGOOSLUXRQO_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GJOWGOOSLUXRQO_UHFFFAOYSA_N =  8.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5MDICARB
! formula:  C_6H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PFLPZDBOPDYOJU-UHFFFAOYSA-N
Hvpx_PFLPZDBOPDYOJU_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PFLPZDBOPDYOJU_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PFLPZDBOPDYOJU_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5TRONCO3H
! formula:  C_6H_6O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: GGHLQXKHXYQGCE-UHFFFAOYSA-N
Hvpx_GGHLQXKHXYQGCE_UHFFFAOYSA_N =  2.4E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_GGHLQXKHXYQGCE_UHFFFAOYSA_N =  1.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GGHLQXKHXYQGCE_UHFFFAOYSA_N =  2.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6125CO
! formula:  C_6H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RFTMILUWMDIPHH-UHFFFAOYSA-N
Hvpx_RFTMILUWMDIPHH_UHFFFAOYSA_N =  5.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RFTMILUWMDIPHH_UHFFFAOYSA_N =  8.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RFTMILUWMDIPHH_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6135COOOH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HGYTXVUJMUREIP-UHFFFAOYSA-N
Hvpx_HGYTXVUJMUREIP_UHFFFAOYSA_N =  3.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HGYTXVUJMUREIP_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HGYTXVUJMUREIP_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6145COOOH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DSJLQKNTJKMXRQ-UHFFFAOYSA-N
Hvpx_DSJLQKNTJKMXRQ_UHFFFAOYSA_N =  3.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DSJLQKNTJKMXRQ_UHFFFAOYSA_N =  7.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DSJLQKNTJKMXRQ_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C615CO2OOH
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MOFLPBJDWVVKPL-UHFFFAOYSA-N
Hvpx_MOFLPBJDWVVKPL_UHFFFAOYSA_N =  5.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MOFLPBJDWVVKPL_UHFFFAOYSA_N =  4.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MOFLPBJDWVVKPL_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C615CO
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BRRWJVYIMRBLKB-UHFFFAOYSA-N
Hvpx_BRRWJVYIMRBLKB_UHFFFAOYSA_N =  2.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BRRWJVYIMRBLKB_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BRRWJVYIMRBLKB_UHFFFAOYSA_N =  4.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C616OOH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RZNSBZRPHHAABM-UHFFFAOYSA-N
Hvpx_RZNSBZRPHHAABM_UHFFFAOYSA_N =  2.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RZNSBZRPHHAABM_UHFFFAOYSA_N =  3.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RZNSBZRPHHAABM_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C617OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VPKXUGZDYIOAPR-UHFFFAOYSA-N
Hvpx_VPKXUGZDYIOAPR_UHFFFAOYSA_N =  3.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VPKXUGZDYIOAPR_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VPKXUGZDYIOAPR_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C618OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AMQFKFSLRYYJMS-UHFFFAOYSA-N
Hvpx_AMQFKFSLRYYJMS_UHFFFAOYSA_N =  3.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AMQFKFSLRYYJMS_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AMQFKFSLRYYJMS_UHFFFAOYSA_N =  3.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C620OOH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UWWRYJPKFSIPFS-UHFFFAOYSA-N
Hvpx_UWWRYJPKFSIPFS_UHFFFAOYSA_N =  2.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UWWRYJPKFSIPFS_UHFFFAOYSA_N =  5.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UWWRYJPKFSIPFS_UHFFFAOYSA_N =  3.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C626OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DHTMLHKAZOWLFT-UHFFFAOYSA-N
Hvpx_DHTMLHKAZOWLFT_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DHTMLHKAZOWLFT_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DHTMLHKAZOWLFT_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C65OOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LHKMAYQHAYSMQO-UHFFFAOYSA-N
Hvpx_LHKMAYQHAYSMQO_UHFFFAOYSA_N =  3.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LHKMAYQHAYSMQO_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LHKMAYQHAYSMQO_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO134
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VIOZHXSHLWOADQ-UHFFFAOYSA-N
Hvpx_VIOZHXSHLWOADQ_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VIOZHXSHLWOADQ_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VIOZHXSHLWOADQ_UHFFFAOYSA_N =  8.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO4DB
! formula:  C_6H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OGFBTMOHTIWBJU-UHFFFAOYSA-N
Hvpx_OGFBTMOHTIWBJU_UHFFFAOYSA_N =  6.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_OGFBTMOHTIWBJU_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OGFBTMOHTIWBJU_UHFFFAOYSA_N =  3.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6COALCO3H
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WRLXIVUJPLXKIG-UHFFFAOYSA-N
Hvpx_WRLXIVUJPLXKIG_UHFFFAOYSA_N =  1.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WRLXIVUJPLXKIG_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WRLXIVUJPLXKIG_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6COCHOOOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DQAWORJSQGOPLV-UHFFFAOYSA-N
Hvpx_DQAWORJSQGOPLV_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DQAWORJSQGOPLV_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DQAWORJSQGOPLV_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CODIAL
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PAXFMQWEAJBIJB-UHFFFAOYSA-N
Hvpx_PAXFMQWEAJBIJB_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PAXFMQWEAJBIJB_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PAXFMQWEAJBIJB_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6DICARB
! formula:  C_6H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GVKYFODEMNCLGS-UHFFFAOYSA-N
Hvpx_GVKYFODEMNCLGS_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GVKYFODEMNCLGS_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GVKYFODEMNCLGS_UHFFFAOYSA_N =  9.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO123C5CHO
! formula:  C_6H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GLSSGXNNMIEKBR-UHFFFAOYSA-N
Hvpx_GLSSGXNNMIEKBR_UHFFFAOYSA_N =  2.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GLSSGXNNMIEKBR_UHFFFAOYSA_N =  3.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GLSSGXNNMIEKBR_UHFFFAOYSA_N =  3.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO235C5CHO
! formula:  C_6H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GPIFCHFPYCMSRY-UHFFFAOYSA-N
Hvpx_GPIFCHFPYCMSRY_UHFFFAOYSA_N =  3.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GPIFCHFPYCMSRY_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GPIFCHFPYCMSRY_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO24M3CHO
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OQYGUGGUHGKPLC-UHFFFAOYSA-N
Hvpx_OQYGUGGUHGKPLC_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OQYGUGGUHGKPLC_UHFFFAOYSA_N =  6.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OQYGUGGUHGKPLC_UHFFFAOYSA_N =  2.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2C4GLYOX
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YEJDUVJLIVLCFZ-UHFFFAOYSA-N
Hvpx_YEJDUVJLIVLCFZ_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YEJDUVJLIVLCFZ_UHFFFAOYSA_N =  7.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YEJDUVJLIVLCFZ_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2C54CHO
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: IDAHIBMEKOEBRG-UHFFFAOYSA-N
Hvpx_IDAHIBMEKOEBRG_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IDAHIBMEKOEBRG_UHFFFAOYSA_N =  3.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IDAHIBMEKOEBRG_UHFFFAOYSA_N =  9.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2M33CHO
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HOOWKSPRVCRTJK-UHFFFAOYSA-N
Hvpx_HOOWKSPRVCRTJK_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HOOWKSPRVCRTJK_UHFFFAOYSA_N =  5.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HOOWKSPRVCRTJK_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2M3C4CHO
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GQHWESFTVGVFIA-UHFFFAOYSA-N
Hvpx_GQHWESFTVGVFIA_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GQHWESFTVGVFIA_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GQHWESFTVGVFIA_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO35C5CHO
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KXLMWINKDVAJKB-UHFFFAOYSA-N
Hvpx_KXLMWINKDVAJKB_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KXLMWINKDVAJKB_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KXLMWINKDVAJKB_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3C54CHO
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HFHZCESKBNQESK-UHFFFAOYSA-N
Hvpx_HFHZCESKBNQESK_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HFHZCESKBNQESK_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HFHZCESKBNQESK_UHFFFAOYSA_N =  3.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3C5CHO
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: KKOFYQBBUSZDKJ-UHFFFAOYSA-N
Hvpx_KKOFYQBBUSZDKJ_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KKOFYQBBUSZDKJ_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KKOFYQBBUSZDKJ_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO45C5CHO
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WXTRRXXKCNKUIA-UHFFFAOYSA-N
Hvpx_WXTRRXXKCNKUIA_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WXTRRXXKCNKUIA_UHFFFAOYSA_N =  6.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WXTRRXXKCNKUIA_UHFFFAOYSA_N =  6.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ECO4
! formula:  C_6H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RGMUISDTMIPFQK-UHFFFAOYSA-N
Hvpx_RGMUISDTMIPFQK_UHFFFAOYSA_N =  3.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RGMUISDTMIPFQK_UHFFFAOYSA_N =  2.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RGMUISDTMIPFQK_UHFFFAOYSA_N =  1.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC5DICARB
! formula:  C_6H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PEBMIJGMJUFNQE-UHFFFAOYSA-N
Hvpx_PEBMIJGMJUFNQE_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PEBMIJGMJUFNQE_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PEBMIJGMJUFNQE_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4DBM2CO3H
! formula:  C_7H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OAFSDIWBIPMWQP-UHFFFAOYSA-N
Hvpx_OAFSDIWBIPMWQP_UHFFFAOYSA_N =  7.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_OAFSDIWBIPMWQP_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OAFSDIWBIPMWQP_UHFFFAOYSA_N =  6.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C617CHO
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NFXFJRVNKKYMOX-UHFFFAOYSA-N
Hvpx_NFXFJRVNKKYMOX_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NFXFJRVNKKYMOX_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NFXFJRVNKKYMOX_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C617CO3H
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GEJLCFNTSCJUHB-UHFFFAOYSA-N
Hvpx_GEJLCFNTSCJUHB_UHFFFAOYSA_N =  2.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GEJLCFNTSCJUHB_UHFFFAOYSA_N =  4.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GEJLCFNTSCJUHB_UHFFFAOYSA_N =  9.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C618CO3H
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BCVYZYXNMFZMHQ-UHFFFAOYSA-N
Hvpx_BCVYZYXNMFZMHQ_UHFFFAOYSA_N =  2.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BCVYZYXNMFZMHQ_UHFFFAOYSA_N =  5.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BCVYZYXNMFZMHQ_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C626CHO
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HBIBDTOPQGUCOQ-UHFFFAOYSA-N
Hvpx_HBIBDTOPQGUCOQ_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HBIBDTOPQGUCOQ_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HBIBDTOPQGUCOQ_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C626CO3H
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XXGYBOYKTQFTKB-UHFFFAOYSA-N
Hvpx_XXGYBOYKTQFTKB_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XXGYBOYKTQFTKB_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XXGYBOYKTQFTKB_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6M5CO2OOH
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BPEPZMFTCHTDHQ-UHFFFAOYSA-N
Hvpx_BPEPZMFTCHTDHQ_UHFFFAOYSA_N =  9.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BPEPZMFTCHTDHQ_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BPEPZMFTCHTDHQ_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C715CO2OOH
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MXRQCKDWMJYUGS-UHFFFAOYSA-N
Hvpx_MXRQCKDWMJYUGS_UHFFFAOYSA_N =  5.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MXRQCKDWMJYUGS_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MXRQCKDWMJYUGS_UHFFFAOYSA_N =  5.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C716OOH
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PDOSKCUHLZEIAA-UHFFFAOYSA-N
Hvpx_PDOSKCUHLZEIAA_UHFFFAOYSA_N =  3.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PDOSKCUHLZEIAA_UHFFFAOYSA_N =  6.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PDOSKCUHLZEIAA_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C717OOH
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PIJZITIWWOWVNF-UHFFFAOYSA-N
Hvpx_PIJZITIWWOWVNF_UHFFFAOYSA_N =  3.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PIJZITIWWOWVNF_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PIJZITIWWOWVNF_UHFFFAOYSA_N =  8.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C718OOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IUOFUPZPJIEECL-UHFFFAOYSA-N
Hvpx_IUOFUPZPJIEECL_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IUOFUPZPJIEECL_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IUOFUPZPJIEECL_UHFFFAOYSA_N =  4.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C731OOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GGMJSZWHPXYNJN-UHFFFAOYSA-N
Hvpx_GGMJSZWHPXYNJN_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GGMJSZWHPXYNJN_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GGMJSZWHPXYNJN_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C735OOH
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FKXMDVIITUJJPH-UHFFFAOYSA-N
Hvpx_FKXMDVIITUJJPH_UHFFFAOYSA_N =  4.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_FKXMDVIITUJJPH_UHFFFAOYSA_N =  6.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FKXMDVIITUJJPH_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C736CO
! formula:  C_7H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XIQVOMVDKSOEBZ-UHFFFAOYSA-N
Hvpx_XIQVOMVDKSOEBZ_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XIQVOMVDKSOEBZ_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XIQVOMVDKSOEBZ_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C736OOH
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FLZNSMFAMOSJOT-UHFFFAOYSA-N
Hvpx_FLZNSMFAMOSJOT_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FLZNSMFAMOSJOT_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FLZNSMFAMOSJOT_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7ADICARB
! formula:  C_7H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JOIPXRIQHWMPFU-UHFFFAOYSA-N
Hvpx_JOIPXRIQHWMPFU_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JOIPXRIQHWMPFU_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JOIPXRIQHWMPFU_UHFFFAOYSA_N =  6.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7CO2DBAL
! formula:  C_7H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YGMUVGSOGISXBZ-UHFFFAOYSA-N
Hvpx_YGMUVGSOGISXBZ_UHFFFAOYSA_N =  7.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YGMUVGSOGISXBZ_UHFFFAOYSA_N =  9.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YGMUVGSOGISXBZ_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7CO2DCO3H
! formula:  C_7H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GSEZJGCNNFTSDI-UHFFFAOYSA-N
Hvpx_GSEZJGCNNFTSDI_UHFFFAOYSA_N =  5.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GSEZJGCNNFTSDI_UHFFFAOYSA_N =  3.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GSEZJGCNNFTSDI_UHFFFAOYSA_N =  2.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7CO4DB
! formula:  C_7H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RYPSCZRULGRFHH-UHFFFAOYSA-N
Hvpx_RYPSCZRULGRFHH_UHFFFAOYSA_N =  9.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RYPSCZRULGRFHH_UHFFFAOYSA_N =  3.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RYPSCZRULGRFHH_UHFFFAOYSA_N =  1.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7DDICARB
! formula:  C_7H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SRVPSCZJUZZLCY-UHFFFAOYSA-N
Hvpx_SRVPSCZJUZZLCY_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SRVPSCZJUZZLCY_UHFFFAOYSA_N =  8.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SRVPSCZJUZZLCY_UHFFFAOYSA_N =  4.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7DICARB
! formula:  C_7H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GLRVVKVYRCSDLF-UHFFFAOYSA-N
Hvpx_GLRVVKVYRCSDLF_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GLRVVKVYRCSDLF_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GLRVVKVYRCSDLF_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO235C6CHO
! formula:  C_7H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DKBJFPXQZAZJBK-UHFFFAOYSA-N
Hvpx_DKBJFPXQZAZJBK_UHFFFAOYSA_N =  4.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DKBJFPXQZAZJBK_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DKBJFPXQZAZJBK_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO25C6CHO
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZTMYUKBUAYLBJN-UHFFFAOYSA-N
Hvpx_ZTMYUKBUAYLBJN_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZTMYUKBUAYLBJN_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZTMYUKBUAYLBJN_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IC7DICARB
! formula:  C_7H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XQQMMKHYZYQABV-UHFFFAOYSA-N
Hvpx_XQQMMKHYZYQABV_UHFFFAOYSA_N =  4.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_XQQMMKHYZYQABV_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_XQQMMKHYZYQABV_UHFFFAOYSA_N =  4.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC6CO2OOH
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HBFXSTFRJMUUSF-UHFFFAOYSA-N
Hvpx_HBFXSTFRJMUUSF_UHFFFAOYSA_N =  9.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_HBFXSTFRJMUUSF_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HBFXSTFRJMUUSF_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4DBMECO3H
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MRKOFGXLZVJMLJ-UHFFFAOYSA-N
Hvpx_MRKOFGXLZVJMLJ_UHFFFAOYSA_N =  9.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MRKOFGXLZVJMLJ_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MRKOFGXLZVJMLJ_UHFFFAOYSA_N =  8.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO4M2DB
! formula:  C_8H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XSTUBABFSAZOJC-UHFFFAOYSA-N
Hvpx_XSTUBABFSAZOJC_UHFFFAOYSA_N =  1.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XSTUBABFSAZOJC_UHFFFAOYSA_N =  3.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XSTUBABFSAZOJC_UHFFFAOYSA_N =  3.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6ETCO4DB
! formula:  C_8H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OAQBTICOMUFUNE-UHFFFAOYSA-N
Hvpx_OAQBTICOMUFUNE_UHFFFAOYSA_N =  1.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OAQBTICOMUFUNE_UHFFFAOYSA_N =  6.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OAQBTICOMUFUNE_UHFFFAOYSA_N =  2.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C718CO3H
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: TVOCFMMHLDKVAZ-UHFFFAOYSA-N
Hvpx_TVOCFMMHLDKVAZ_UHFFFAOYSA_N =  3.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_TVOCFMMHLDKVAZ_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_TVOCFMMHLDKVAZ_UHFFFAOYSA_N =  6.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C731CO3H
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NTZMYPVPFVPPPF-UHFFFAOYSA-N
Hvpx_NTZMYPVPFVPPPF_UHFFFAOYSA_N =  2.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NTZMYPVPFVPPPF_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NTZMYPVPFVPPPF_UHFFFAOYSA_N =  6.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7M6CO2OOH
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SYXNCLOQMRSNCQ-UHFFFAOYSA-N
Hvpx_SYXNCLOQMRSNCQ_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SYXNCLOQMRSNCQ_UHFFFAOYSA_N =  8.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SYXNCLOQMRSNCQ_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7MCO2DBAL
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PDQBXAJOXSGWHJ-UHFFFAOYSA-N
Hvpx_PDQBXAJOXSGWHJ_UHFFFAOYSA_N =  7.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PDQBXAJOXSGWHJ_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PDQBXAJOXSGWHJ_UHFFFAOYSA_N =  3.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7MCO2OOH
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IVJZKSXAPVTQOQ-UHFFFAOYSA-N
Hvpx_IVJZKSXAPVTQOQ_UHFFFAOYSA_N =  6.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_IVJZKSXAPVTQOQ_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IVJZKSXAPVTQOQ_UHFFFAOYSA_N =  7.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C815CO2OOH
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BDUHFTDKOJODDX-UHFFFAOYSA-N
Hvpx_BDUHFTDKOJODDX_UHFFFAOYSA_N =  7.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BDUHFTDKOJODDX_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BDUHFTDKOJODDX_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C817CO
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WSCYQCAMZDXSLH-UHFFFAOYSA-N
Hvpx_WSCYQCAMZDXSLH_UHFFFAOYSA_N =  1.8E-06 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_WSCYQCAMZDXSLH_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WSCYQCAMZDXSLH_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WSCYQCAMZDXSLH_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C830CO
! formula:  C_8H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MHDCXCKIQVLVLU-UHFFFAOYSA-N
Hvpx_MHDCXCKIQVLVLU_UHFFFAOYSA_N =  9.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MHDCXCKIQVLVLU_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MHDCXCKIQVLVLU_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C831CO
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZUSGUVUFJOBUST-UHFFFAOYSA-N
Hvpx_ZUSGUVUFJOBUST_UHFFFAOYSA_N =  3.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZUSGUVUFJOBUST_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZUSGUVUFJOBUST_UHFFFAOYSA_N =  4.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C86OOH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DHFNMJQLYJIWHS-UHFFFAOYSA-N
Hvpx_DHFNMJQLYJIWHS_UHFFFAOYSA_N =  3.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DHFNMJQLYJIWHS_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DHFNMJQLYJIWHS_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C87CO
! formula:  C_8H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZGSYEZWRFTZRGE-UHFFFAOYSA-N
Hvpx_ZGSYEZWRFTZRGE_UHFFFAOYSA_N =  3.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZGSYEZWRFTZRGE_UHFFFAOYSA_N =  7.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZGSYEZWRFTZRGE_UHFFFAOYSA_N =  2.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C87OOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZOZQVMIZJFBYCH-UHFFFAOYSA-N
Hvpx_ZOZQVMIZJFBYCH_UHFFFAOYSA_N =  4.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ZOZQVMIZJFBYCH_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZOZQVMIZJFBYCH_UHFFFAOYSA_N =  5.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8CO2DBAL
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WFUAEUZWLUGFPU-UHFFFAOYSA-N
Hvpx_WFUAEUZWLUGFPU_UHFFFAOYSA_N =  8.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WFUAEUZWLUGFPU_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WFUAEUZWLUGFPU_UHFFFAOYSA_N =  2.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8CO2DCO3H
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AFZRTBPBEHNFPV-UHFFFAOYSA-N
Hvpx_AFZRTBPBEHNFPV_UHFFFAOYSA_N =  7.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_AFZRTBPBEHNFPV_UHFFFAOYSA_N =  5.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AFZRTBPBEHNFPV_UHFFFAOYSA_N =  3.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8CO4DB
! formula:  C_8H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XMBXSFIUGNBAMW-UHFFFAOYSA-N
Hvpx_XMBXSFIUGNBAMW_UHFFFAOYSA_N =  1.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XMBXSFIUGNBAMW_UHFFFAOYSA_N =  4.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XMBXSFIUGNBAMW_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8DCO2CO3H
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LSJULIYFTAQYGE-UHFFFAOYSA-N
Hvpx_LSJULIYFTAQYGE_UHFFFAOYSA_N =  6.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LSJULIYFTAQYGE_UHFFFAOYSA_N =  4.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LSJULIYFTAQYGE_UHFFFAOYSA_N =  2.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO4DBC8
! formula:  C_8H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UUVQUVHMBIAKFN-UHFFFAOYSA-N
Hvpx_UUVQUVHMBIAKFN_UHFFFAOYSA_N =  1.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UUVQUVHMBIAKFN_UHFFFAOYSA_N =  4.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UUVQUVHMBIAKFN_UHFFFAOYSA_N =  5.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC7CO2OOH
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XEFYLFAPQOHXQI-UHFFFAOYSA-N
Hvpx_XEFYLFAPQOHXQI_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XEFYLFAPQOHXQI_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XEFYLFAPQOHXQI_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO4MEDB
! formula:  C_9H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KWNUZJFJQSMOTR-UHFFFAOYSA-N
Hvpx_KWNUZJFJQSMOTR_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KWNUZJFJQSMOTR_UHFFFAOYSA_N =  4.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KWNUZJFJQSMOTR_UHFFFAOYSA_N =  7.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6IPRCO4DB
! formula:  C_9H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PHOIWTKCTUWXFI-UHFFFAOYSA-N
Hvpx_PHOIWTKCTUWXFI_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PHOIWTKCTUWXFI_UHFFFAOYSA_N =  6.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PHOIWTKCTUWXFI_UHFFFAOYSA_N =  2.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PRCO4DB
! formula:  C_9H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZAOQHXFQWRKJIE-UHFFFAOYSA-N
Hvpx_ZAOQHXFQWRKJIE_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZAOQHXFQWRKJIE_UHFFFAOYSA_N =  5.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZAOQHXFQWRKJIE_UHFFFAOYSA_N =  2.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7CO4EDB
! formula:  C_9H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZLFZFHOVUMHREF-UHFFFAOYSA-N
Hvpx_ZLFZFHOVUMHREF_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLFZFHOVUMHREF_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLFZFHOVUMHREF_UHFFFAOYSA_N =  5.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7ECO4DB
! formula:  C_9H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AWHQTSPUFRSDOO-UHFFFAOYSA-N
Hvpx_AWHQTSPUFRSDOO_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_AWHQTSPUFRSDOO_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AWHQTSPUFRSDOO_UHFFFAOYSA_N =  7.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C827CHO
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WRGXNTJIWBXAOX-UHFFFAOYSA-N
Hvpx_WRGXNTJIWBXAOX_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WRGXNTJIWBXAOX_UHFFFAOYSA_N =  6.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WRGXNTJIWBXAOX_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C828CHO
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YZUHPZZEPOWVFM-UHFFFAOYSA-N
Hvpx_YZUHPZZEPOWVFM_UHFFFAOYSA_N =  7.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YZUHPZZEPOWVFM_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YZUHPZZEPOWVFM_UHFFFAOYSA_N =  4.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C87CO3H
! formula:  C_9H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: AJHPLULEOIFIGV-UHFFFAOYSA-N
Hvpx_AJHPLULEOIFIGV_UHFFFAOYSA_N =  3.7E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_AJHPLULEOIFIGV_UHFFFAOYSA_N =  1.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_AJHPLULEOIFIGV_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C88CHO
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NXCXUGLKKPDWEC-UHFFFAOYSA-N
Hvpx_NXCXUGLKKPDWEC_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NXCXUGLKKPDWEC_UHFFFAOYSA_N =  6.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NXCXUGLKKPDWEC_UHFFFAOYSA_N =  6.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C914CO
! formula:  C_9H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RDBINALOBQAVHT-UHFFFAOYSA-N
Hvpx_RDBINALOBQAVHT_UHFFFAOYSA_N =  2.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RDBINALOBQAVHT_UHFFFAOYSA_N =  3.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RDBINALOBQAVHT_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C914OOH
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZERYOMDBUHTQAV-UHFFFAOYSA-N
Hvpx_ZERYOMDBUHTQAV_UHFFFAOYSA_N =  2.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ZERYOMDBUHTQAV_UHFFFAOYSA_N =  3.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZERYOMDBUHTQAV_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C915OOH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IHUGTHJLMVJZBZ-UHFFFAOYSA-N
Hvpx_IHUGTHJLMVJZBZ_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IHUGTHJLMVJZBZ_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IHUGTHJLMVJZBZ_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C916OOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FURCCROLNKVFJP-UHFFFAOYSA-N
Hvpx_FURCCROLNKVFJP_UHFFFAOYSA_N =  5.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_FURCCROLNKVFJP_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FURCCROLNKVFJP_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C918OOH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RVRGXPTVZZTPQO-UHFFFAOYSA-N
Hvpx_RVRGXPTVZZTPQO_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RVRGXPTVZZTPQO_UHFFFAOYSA_N =  7.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RVRGXPTVZZTPQO_UHFFFAOYSA_N =  4.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C919OOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HGDKSMVLGYFVMB-UHFFFAOYSA-N
Hvpx_HGDKSMVLGYFVMB_UHFFFAOYSA_N =  5.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HGDKSMVLGYFVMB_UHFFFAOYSA_N =  1.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_HGDKSMVLGYFVMB_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C926OOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YGLJXDYJGXWZRQ-UHFFFAOYSA-N
Hvpx_YGLJXDYJGXWZRQ_UHFFFAOYSA_N =  7.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_YGLJXDYJGXWZRQ_UHFFFAOYSA_N =  9.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YGLJXDYJGXWZRQ_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C930OOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UQPOFUKCKANZIY-UHFFFAOYSA-N
Hvpx_UQPOFUKCKANZIY_UHFFFAOYSA_N =  7.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UQPOFUKCKANZIY_UHFFFAOYSA_N =  2.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UQPOFUKCKANZIY_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO4DBC9
! formula:  C_9H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KCIAXTRCVKQJBW-UHFFFAOYSA-N
Hvpx_KCIAXTRCVKQJBW_UHFFFAOYSA_N =  2.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KCIAXTRCVKQJBW_UHFFFAOYSA_N =  4.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KCIAXTRCVKQJBW_UHFFFAOYSA_N =  7.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LMLKACO
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JZUAMOXWRDMCCH-UHFFFAOYSA-N
Hvpx_JZUAMOXWRDMCCH_UHFFFAOYSA_N =  5.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JZUAMOXWRDMCCH_UHFFFAOYSA_N =  6.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JZUAMOXWRDMCCH_UHFFFAOYSA_N =  6.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LMLKAOOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VTXNRXDJNZTEJV-UHFFFAOYSA-N
Hvpx_VTXNRXDJNZTEJV_UHFFFAOYSA_N =  4.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_VTXNRXDJNZTEJV_UHFFFAOYSA_N =  3.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VTXNRXDJNZTEJV_UHFFFAOYSA_N =  6.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LMLKBCO
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UMGHNOQMPCKCSD-UHFFFAOYSA-N
Hvpx_UMGHNOQMPCKCSD_UHFFFAOYSA_N =  4.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UMGHNOQMPCKCSD_UHFFFAOYSA_N =  9.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UMGHNOQMPCKCSD_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LMLKBOOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YVDVZIZUYUAKKJ-UHFFFAOYSA-N
Hvpx_YVDVZIZUYUAKKJ_UHFFFAOYSA_N =  5.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_YVDVZIZUYUAKKJ_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YVDVZIZUYUAKKJ_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LMLKET
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CWEQHJLFCKMWEE-UHFFFAOYSA-N
Hvpx_CWEQHJLFCKMWEE_UHFFFAOYSA_N =  5.0E-07 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_CWEQHJLFCKMWEE_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CWEQHJLFCKMWEE_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CWEQHJLFCKMWEE_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NORLIMAL
! formula:  C_9H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: WPNOYHDEEVPEJH-UHFFFAOYSA-N
Hvpx_WPNOYHDEEVPEJH_UHFFFAOYSA_N =  8.9E-04 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_WPNOYHDEEVPEJH_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WPNOYHDEEVPEJH_UHFFFAOYSA_N =  5.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WPNOYHDEEVPEJH_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NORPINAL
! formula:  C_9H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CRBGTXDFEDFKSU-UHFFFAOYSA-N
Hvpx_CRBGTXDFEDFKSU_UHFFFAOYSA_N =  1.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CRBGTXDFEDFKSU_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CRBGTXDFEDFKSU_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1010OOH
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PQCOZMUQYGSZBV-UHFFFAOYSA-N
Hvpx_PQCOZMUQYGSZBV_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PQCOZMUQYGSZBV_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PQCOZMUQYGSZBV_UHFFFAOYSA_N =  4.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1012CO
! formula:  C_{10}H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZTXNVHZVZBDWRG-UHFFFAOYSA-N
Hvpx_ZTXNVHZVZBDWRG_UHFFFAOYSA_N =  7.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZTXNVHZVZBDWRG_UHFFFAOYSA_N =  8.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZTXNVHZVZBDWRG_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1012OOH
! formula:  C_{10}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NQAGNHJKHGEOIP-UHFFFAOYSA-N
Hvpx_NQAGNHJKHGEOIP_UHFFFAOYSA_N =  5.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NQAGNHJKHGEOIP_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NQAGNHJKHGEOIP_UHFFFAOYSA_N =  4.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C106OOH
! formula:  C_{10}H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QENSMPURVPBEBQ-UHFFFAOYSA-N
Hvpx_QENSMPURVPBEBQ_UHFFFAOYSA_N =  8.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_QENSMPURVPBEBQ_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QENSMPURVPBEBQ_UHFFFAOYSA_N =  3.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C107OOH
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JYIMELQJWXRSLA-UHFFFAOYSA-N
Hvpx_JYIMELQJWXRSLA_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JYIMELQJWXRSLA_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JYIMELQJWXRSLA_UHFFFAOYSA_N =  1.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C108OOH
! formula:  C_{10}H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AIXQDYAMZUITKH-UHFFFAOYSA-N
Hvpx_AIXQDYAMZUITKH_UHFFFAOYSA_N =  8.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_AIXQDYAMZUITKH_UHFFFAOYSA_N =  3.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_AIXQDYAMZUITKH_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C109CO
! formula:  C_{10}H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GPWOGFGLGKGEOT-UHFFFAOYSA-N
Hvpx_GPWOGFGLGKGEOT_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GPWOGFGLGKGEOT_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GPWOGFGLGKGEOT_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C109OOH
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ODTCGEGBAGAWAJ-UHFFFAOYSA-N
Hvpx_ODTCGEGBAGAWAJ_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ODTCGEGBAGAWAJ_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ODTCGEGBAGAWAJ_UHFFFAOYSA_N =  9.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMALACO
! formula:  C_{10}H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OXUPJDFJWCMZMO-UHFFFAOYSA-N
Hvpx_OXUPJDFJWCMZMO_UHFFFAOYSA_N =  1.3E-05 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_OXUPJDFJWCMZMO_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OXUPJDFJWCMZMO_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OXUPJDFJWCMZMO_UHFFFAOYSA_N =  1.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMALAOOH
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DVORBFWFCUOYLW-UHFFFAOYSA-N
Hvpx_DVORBFWFCUOYLW_UHFFFAOYSA_N =  2.2E-06 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_DVORBFWFCUOYLW_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DVORBFWFCUOYLW_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DVORBFWFCUOYLW_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMALBCO
! formula:  C_{10}H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OFCYPGCYWHDSNB-UHFFFAOYSA-N
Hvpx_OFCYPGCYWHDSNB_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OFCYPGCYWHDSNB_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OFCYPGCYWHDSNB_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMALBOOH
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DCWLKDSHBWMMQU-UHFFFAOYSA-N
Hvpx_DCWLKDSHBWMMQU_UHFFFAOYSA_N =  2.3E-06 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_DCWLKDSHBWMMQU_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DCWLKDSHBWMMQU_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DCWLKDSHBWMMQU_UHFFFAOYSA_N =  3.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMAL
! formula:  C_{10}H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OGCGCISRMFSLTC-UHFFFAOYSA-N
Hvpx_OGCGCISRMFSLTC_UHFFFAOYSA_N =  1.3E-03 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_OGCGCISRMFSLTC_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OGCGCISRMFSLTC_UHFFFAOYSA_N =  7.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OGCGCISRMFSLTC_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PINAL
! formula:  C_{10}H_{16}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GCHDWVBHKDJOKU-UHFFFAOYSA-N
Hvpx_GCHDWVBHKDJOKU_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GCHDWVBHKDJOKU_UHFFFAOYSA_N =  2.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GCHDWVBHKDJOKU_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PINALOOH
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IKYOAMQPSDRUHL-UHFFFAOYSA-N
Hvpx_IKYOAMQPSDRUHL_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IKYOAMQPSDRUHL_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IKYOAMQPSDRUHL_UHFFFAOYSA_N =  9.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C116CO
! formula:  C_{11}H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XGVKCXDPIYHMTH-UHFFFAOYSA-N
Hvpx_XGVKCXDPIYHMTH_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XGVKCXDPIYHMTH_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XGVKCXDPIYHMTH_UHFFFAOYSA_N =  4.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C116OOH
! formula:  C_{11}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GLQKGYMROFUHSE-UHFFFAOYSA-N
Hvpx_GLQKGYMROFUHSE_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GLQKGYMROFUHSE_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GLQKGYMROFUHSE_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C116CHO
! formula:  C_{12}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LCDZSXGLJAAQMI-UHFFFAOYSA-N
Hvpx_LCDZSXGLJAAQMI_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LCDZSXGLJAAQMI_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LCDZSXGLJAAQMI_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C116CO3H
! formula:  C_{12}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DYOBAPPYFCSOAS-UHFFFAOYSA-N
Hvpx_DYOBAPPYFCSOAS_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DYOBAPPYFCSOAS_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DYOBAPPYFCSOAS_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1210OOH
! formula:  C_{12}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KZRFFJDVJJJBDC-UHFFFAOYSA-N
Hvpx_KZRFFJDVJJJBDC_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KZRFFJDVJJJBDC_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KZRFFJDVJJJBDC_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C129CO
! formula:  C_{12}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RGVZWLUABXGGBI-UHFFFAOYSA-N
Hvpx_RGVZWLUABXGGBI_UHFFFAOYSA_N =  2.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RGVZWLUABXGGBI_UHFFFAOYSA_N =  6.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RGVZWLUABXGGBI_UHFFFAOYSA_N =  4.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C129OOH
! formula:  C_{12}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OVAMHHASBHCMIZ-UHFFFAOYSA-N
Hvpx_OVAMHHASBHCMIZ_UHFFFAOYSA_N =  2.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_OVAMHHASBHCMIZ_UHFFFAOYSA_N =  3.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OVAMHHASBHCMIZ_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1210CO3H
! formula:  C_{13}H_{20}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BXGKTBFSJURUHS-UHFFFAOYSA-N
Hvpx_BXGKTBFSJURUHS_UHFFFAOYSA_N =  2.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BXGKTBFSJURUHS_UHFFFAOYSA_N =  2.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BXGKTBFSJURUHS_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C131CO
! formula:  C_{13}H_{20}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FDPPFMUIMWYEIX-UHFFFAOYSA-N
Hvpx_FDPPFMUIMWYEIX_UHFFFAOYSA_N =  3.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FDPPFMUIMWYEIX_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FDPPFMUIMWYEIX_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCLKACO
! formula:  C_{14}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ARRZIWJBJSIOKE-UHFFFAOYSA-N
Hvpx_ARRZIWJBJSIOKE_UHFFFAOYSA_N =  5.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ARRZIWJBJSIOKE_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ARRZIWJBJSIOKE_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCLKAOOH
! formula:  C_{14}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CKBNEDHFWOQWQD-UHFFFAOYSA-N
Hvpx_CKBNEDHFWOQWQD_UHFFFAOYSA_N =  4.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_CKBNEDHFWOQWQD_UHFFFAOYSA_N =  3.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CKBNEDHFWOQWQD_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCLKBCO
! formula:  C_{14}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NZHCLRCYZNBCMK-UHFFFAOYSA-N
Hvpx_NZHCLRCYZNBCMK_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NZHCLRCYZNBCMK_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NZHCLRCYZNBCMK_UHFFFAOYSA_N =  5.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCLKBOOH
! formula:  C_{14}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CNYMBWKCKYTSRZ-UHFFFAOYSA-N
Hvpx_CNYMBWKCKYTSRZ_UHFFFAOYSA_N =  5.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_CNYMBWKCKYTSRZ_UHFFFAOYSA_N =  1.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CNYMBWKCKYTSRZ_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCLKCCO
! formula:  C_{14}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RVZWWCAHYGTHHX-UHFFFAOYSA-N
Hvpx_RVZWWCAHYGTHHX_UHFFFAOYSA_N =  5.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RVZWWCAHYGTHHX_UHFFFAOYSA_N =  4.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RVZWWCAHYGTHHX_UHFFFAOYSA_N =  3.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCLKCOOH
! formula:  C_{14}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OVPKMRRDRUAGIL-UHFFFAOYSA-N
Hvpx_OVPKMRRDRUAGIL_UHFFFAOYSA_N =  4.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_OVPKMRRDRUAGIL_UHFFFAOYSA_N =  3.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OVPKMRRDRUAGIL_UHFFFAOYSA_N =  8.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCLKET
! formula:  C_{14}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UGDRYISIDBCIAI-UHFFFAOYSA-N
Hvpx_UGDRYISIDBCIAI_UHFFFAOYSA_N =  3.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UGDRYISIDBCIAI_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UGDRYISIDBCIAI_UHFFFAOYSA_N =  5.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C141CO
! formula:  C_{14}H_{22}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: LUPUYUXNGLIEMW-UHFFFAOYSA-N
Hvpx_LUPUYUXNGLIEMW_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LUPUYUXNGLIEMW_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LUPUYUXNGLIEMW_UHFFFAOYSA_N =  7.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C146CO
! formula:  C_{14}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ODTZTSYYOIXMEF-UHFFFAOYSA-N
Hvpx_ODTZTSYYOIXMEF_UHFFFAOYSA_N =  5.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ODTZTSYYOIXMEF_UHFFFAOYSA_N =  4.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ODTZTSYYOIXMEF_UHFFFAOYSA_N =  5.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C146OOH
! formula:  C_{14}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SPXXDEIFDYFSMG-UHFFFAOYSA-N
Hvpx_SPXXDEIFDYFSMG_UHFFFAOYSA_N =  4.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_SPXXDEIFDYFSMG_UHFFFAOYSA_N =  4.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SPXXDEIFDYFSMG_UHFFFAOYSA_N =  3.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCALACO
! formula:  C_{15}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ULXUQSOGQJAAAV-UHFFFAOYSA-N
Hvpx_ULXUQSOGQJAAAV_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ULXUQSOGQJAAAV_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ULXUQSOGQJAAAV_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCALAOOH
! formula:  C_{15}H_{24}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CATQWYAHYHBBFL-UHFFFAOYSA-N
Hvpx_CATQWYAHYHBBFL_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CATQWYAHYHBBFL_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CATQWYAHYHBBFL_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCALBCO
! formula:  C_{15}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DVBAGSYXLVWTHM-UHFFFAOYSA-N
Hvpx_DVBAGSYXLVWTHM_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DVBAGSYXLVWTHM_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DVBAGSYXLVWTHM_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCALBOOH
! formula:  C_{15}H_{24}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BXDTVEFUTYSWEH-UHFFFAOYSA-N
Hvpx_BXDTVEFUTYSWEH_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BXDTVEFUTYSWEH_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BXDTVEFUTYSWEH_UHFFFAOYSA_N =  3.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCAL
! formula:  C_{15}H_{24}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PJJCDGMFEIUQRZ-UHFFFAOYSA-N
Hvpx_PJJCDGMFEIUQRZ_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PJJCDGMFEIUQRZ_UHFFFAOYSA_N =  4.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PJJCDGMFEIUQRZ_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCALCCO
! formula:  C_{15}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RMGPJKLPPRXORI-UHFFFAOYSA-N
Hvpx_RMGPJKLPPRXORI_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RMGPJKLPPRXORI_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RMGPJKLPPRXORI_UHFFFAOYSA_N =  2.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCALCOOH
! formula:  C_{15}H_{24}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WQOUANLPJNTVBV-UHFFFAOYSA-N
Hvpx_WQOUANLPJNTVBV_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WQOUANLPJNTVBV_UHFFFAOYSA_N =  3.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WQOUANLPJNTVBV_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHGLYOX
! formula:  C_8H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OJUGVDODNPJEEC-UHFFFAOYSA-N
Hvpx_OJUGVDODNPJEEC_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OJUGVDODNPJEEC_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OJUGVDODNPJEEC_UHFFFAOYSA_N =  6.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MPHGLYOX
! formula:  C_9H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ILRFLXHICGHRIN-UHFFFAOYSA-N
Hvpx_ILRFLXHICGHRIN_UHFFFAOYSA_N =  5.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ILRFLXHICGHRIN_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ILRFLXHICGHRIN_UHFFFAOYSA_N =  5.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMPHGLYOX
! formula:  C_{10}H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: COKLAMNWIKZGIN-UHFFFAOYSA-N
Hvpx_COKLAMNWIKZGIN_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_COKLAMNWIKZGIN_UHFFFAOYSA_N =  8.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_COKLAMNWIKZGIN_UHFFFAOYSA_N =  5.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EMPHGLYOX
! formula:  C_{11}H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: LRURTQBJFCJOFP-UHFFFAOYSA-N
Hvpx_LRURTQBJFCJOFP_UHFFFAOYSA_N =  9.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LRURTQBJFCJOFP_UHFFFAOYSA_N =  1.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LRURTQBJFCJOFP_UHFFFAOYSA_N =  6.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOCH2COCHO
! formula:  C_3H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JLPAWRLRMTZCSF-UHFFFAOYSA-N
Hvpx_JLPAWRLRMTZCSF_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JLPAWRLRMTZCSF_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JLPAWRLRMTZCSF_UHFFFAOYSA_N =  4.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CCOCOCOH
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AWMGPEHDHJUMEN-UHFFFAOYSA-N
Hvpx_AWMGPEHDHJUMEN_UHFFFAOYSA_N =  7.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AWMGPEHDHJUMEN_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AWMGPEHDHJUMEN_UHFFFAOYSA_N =  3.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO13C4OH
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KATSYVMPKZTIRW-UHFFFAOYSA-N
Hvpx_KATSYVMPKZTIRW_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KATSYVMPKZTIRW_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KATSYVMPKZTIRW_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2H3CHO
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GTYVZUSWKGYETP-UHFFFAOYSA-N
Hvpx_GTYVZUSWKGYETP_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GTYVZUSWKGYETP_UHFFFAOYSA_N =  5.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GTYVZUSWKGYETP_UHFFFAOYSA_N =  5.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H13CO2CHO
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RAPYKXPBVBNJGC-UHFFFAOYSA-N
Hvpx_RAPYKXPBVBNJGC_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RAPYKXPBVBNJGC_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RAPYKXPBVBNJGC_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H1CO23CHO
! formula:  C_4H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XSEYITBSKRUSNL-UHFFFAOYSA-N
Hvpx_XSEYITBSKRUSNL_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XSEYITBSKRUSNL_UHFFFAOYSA_N =  4.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XSEYITBSKRUSNL_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1CO3CHO
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CUSSNCHZLYDUPJ-UHFFFAOYSA-N
Hvpx_CUSSNCHZLYDUPJ_UHFFFAOYSA_N =  4.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CUSSNCHZLYDUPJ_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CUSSNCHZLYDUPJ_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOCOC4DIAL
! formula:  C_4H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JWBVDBDNUQOADG-UHFFFAOYSA-N
Hvpx_JWBVDBDNUQOADG_UHFFFAOYSA_N =  3.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JWBVDBDNUQOADG_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JWBVDBDNUQOADG_UHFFFAOYSA_N =  3.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4MCO2OH
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YKNUMNAVGAMCFT-UHFFFAOYSA-N
Hvpx_YKNUMNAVGAMCFT_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YKNUMNAVGAMCFT_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YKNUMNAVGAMCFT_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C512OH
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZSJOVUGBPPFONP-UHFFFAOYSA-N
Hvpx_ZSJOVUGBPPFONP_UHFFFAOYSA_N =  5.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSJOVUGBPPFONP_UHFFFAOYSA_N =  3.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSJOVUGBPPFONP_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5134CO2OH
! formula:  C_5H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UFXCMYYHMGNRSQ-UHFFFAOYSA-N
Hvpx_UFXCMYYHMGNRSQ_UHFFFAOYSA_N =  5.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UFXCMYYHMGNRSQ_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UFXCMYYHMGNRSQ_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C513CO
! formula:  C_5H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GBFAZHBQOBSKET-UHFFFAOYSA-N
Hvpx_GBFAZHBQOBSKET_UHFFFAOYSA_N =  7.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GBFAZHBQOBSKET_UHFFFAOYSA_N =  9.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GBFAZHBQOBSKET_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C513OH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VLANIYKAIBIISW-UHFFFAOYSA-N
Hvpx_VLANIYKAIBIISW_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VLANIYKAIBIISW_UHFFFAOYSA_N =  6.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_VLANIYKAIBIISW_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C513OOH
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FJRVRXOZJCMNIT-UHFFFAOYSA-N
Hvpx_FJRVRXOZJCMNIT_UHFFFAOYSA_N =  6.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_FJRVRXOZJCMNIT_UHFFFAOYSA_N =  2.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_FJRVRXOZJCMNIT_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C514CO23OH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JLVNMCMGUWUGCO-UHFFFAOYSA-N
Hvpx_JLVNMCMGUWUGCO_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JLVNMCMGUWUGCO_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JLVNMCMGUWUGCO_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C520OH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BXHDMMHJHUOSNS-UHFFFAOYSA-N
Hvpx_BXHDMMHJHUOSNS_UHFFFAOYSA_N =  5.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BXHDMMHJHUOSNS_UHFFFAOYSA_N =  4.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BXHDMMHJHUOSNS_UHFFFAOYSA_N =  3.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C520OOH
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BCWSZSNCYSGOQJ-UHFFFAOYSA-N
Hvpx_BCWSZSNCYSGOQJ_UHFFFAOYSA_N =  7.7E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_BCWSZSNCYSGOQJ_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BCWSZSNCYSGOQJ_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CO3OH
! formula:  C_5H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UUUQEQKLOQQXBA-UHFFFAOYSA-N
Hvpx_UUUQEQKLOQQXBA_UHFFFAOYSA_N =  5.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UUUQEQKLOQQXBA_UHFFFAOYSA_N =  8.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UUUQEQKLOQQXBA_UHFFFAOYSA_N =  3.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5DICAROOH
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SXCXUVJXNGWYKY-UHFFFAOYSA-N
Hvpx_SXCXUVJXNGWYKY_UHFFFAOYSA_N =  8.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_SXCXUVJXNGWYKY_UHFFFAOYSA_N =  4.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SXCXUVJXNGWYKY_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3H4CHO
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GHHQRUFNLVFZPQ-UHFFFAOYSA-N
Hvpx_GHHQRUFNLVFZPQ_UHFFFAOYSA_N =  4.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GHHQRUFNLVFZPQ_UHFFFAOYSA_N =  7.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GHHQRUFNLVFZPQ_UHFFFAOYSA_N =  9.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H1C23C4CHO
! formula:  C_5H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VBLXHDGHHJBCMK-UHFFFAOYSA-N
Hvpx_VBLXHDGHHJBCMK_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VBLXHDGHHJBCMK_UHFFFAOYSA_N =  4.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VBLXHDGHHJBCMK_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMVKBCHO
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XYGGNMZYIGPNCC-UHFFFAOYSA-N
Hvpx_XYGGNMZYIGPNCC_UHFFFAOYSA_N =  1.5E-06 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_XYGGNMZYIGPNCC_UHFFFAOYSA_N =  5.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XYGGNMZYIGPNCC_UHFFFAOYSA_N =  4.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XYGGNMZYIGPNCC_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2CO4CHO
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NSUJYXKDWVMPFQ-UHFFFAOYSA-N
Hvpx_NSUJYXKDWVMPFQ_UHFFFAOYSA_N =  5.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NSUJYXKDWVMPFQ_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NSUJYXKDWVMPFQ_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOIPRGLYOX
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ROKGRLJNHSUEOC-UHFFFAOYSA-N
Hvpx_ROKGRLJNHSUEOC_UHFFFAOYSA_N =  5.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ROKGRLJNHSUEOC_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ROKGRLJNHSUEOC_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IEC2OOH
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KGZJHQJCDPZOFG-UHFFFAOYSA-N
Hvpx_KGZJHQJCDPZOFG_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KGZJHQJCDPZOFG_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KGZJHQJCDPZOFG_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MBOCOCO
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OCAJTNNCRSVJNU-UHFFFAOYSA-N
Hvpx_OCAJTNNCRSVJNU_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OCAJTNNCRSVJNU_UHFFFAOYSA_N =  8.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OCAJTNNCRSVJNU_UHFFFAOYSA_N =  6.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C43OHCOCHO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NMZPCKZSNUOBSC-UHFFFAOYSA-N
Hvpx_NMZPCKZSNUOBSC_UHFFFAOYSA_N =  5.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NMZPCKZSNUOBSC_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NMZPCKZSNUOBSC_UHFFFAOYSA_N =  7.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C517CHO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JGHPNZFTVGSLKF-UHFFFAOYSA-N
Hvpx_JGHPNZFTVGSLKF_UHFFFAOYSA_N =  5.8E-04 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_JGHPNZFTVGSLKF_UHFFFAOYSA_N =  5.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JGHPNZFTVGSLKF_UHFFFAOYSA_N =  7.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JGHPNZFTVGSLKF_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C519CHO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PVAHQKAVPKMXGV-UHFFFAOYSA-N
Hvpx_PVAHQKAVPKMXGV_UHFFFAOYSA_N =  2.0E-07 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_PVAHQKAVPKMXGV_UHFFFAOYSA_N =  5.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PVAHQKAVPKMXGV_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PVAHQKAVPKMXGV_UHFFFAOYSA_N =  7.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5COOHCO3H
! formula:  C_6H_6O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DETDOHNNOYOALO-UHFFFAOYSA-N
Hvpx_DETDOHNNOYOALO_UHFFFAOYSA_N =  1.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DETDOHNNOYOALO_UHFFFAOYSA_N =  1.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DETDOHNNOYOALO_UHFFFAOYSA_N =  6.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5MO132OH
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YVTXQDAOLHXGGS-UHFFFAOYSA-N
Hvpx_YVTXQDAOLHXGGS_UHFFFAOYSA_N =  4.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YVTXQDAOLHXGGS_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YVTXQDAOLHXGGS_UHFFFAOYSA_N =  2.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6134CO2OH
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZUSWTYLGBZLTMD-UHFFFAOYSA-N
Hvpx_ZUSWTYLGBZLTMD_UHFFFAOYSA_N =  7.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZUSWTYLGBZLTMD_UHFFFAOYSA_N =  3.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZUSWTYLGBZLTMD_UHFFFAOYSA_N =  4.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C614CO23OH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FTHGMBBEYTXWQT-UHFFFAOYSA-N
Hvpx_FTHGMBBEYTXWQT_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FTHGMBBEYTXWQT_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FTHGMBBEYTXWQT_UHFFFAOYSA_N =  2.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C615CO2OH
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AEWAJJBQFQHEAB-UHFFFAOYSA-N
Hvpx_AEWAJJBQFQHEAB_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AEWAJJBQFQHEAB_UHFFFAOYSA_N =  4.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AEWAJJBQFQHEAB_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C616OH
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VJOSQGBCXQMKDE-UHFFFAOYSA-N
Hvpx_VJOSQGBCXQMKDE_UHFFFAOYSA_N =  5.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VJOSQGBCXQMKDE_UHFFFAOYSA_N =  7.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VJOSQGBCXQMKDE_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C617OH
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GSQCYSIEWGMUPC-UHFFFAOYSA-N
Hvpx_GSQCYSIEWGMUPC_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GSQCYSIEWGMUPC_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GSQCYSIEWGMUPC_UHFFFAOYSA_N =  7.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C620OH
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SMLWDBHBBFROKP-UHFFFAOYSA-N
Hvpx_SMLWDBHBBFROKP_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SMLWDBHBBFROKP_UHFFFAOYSA_N =  5.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SMLWDBHBBFROKP_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C628OH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XRZKKMNIWXFNJQ-UHFFFAOYSA-N
Hvpx_XRZKKMNIWXFNJQ_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XRZKKMNIWXFNJQ_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XRZKKMNIWXFNJQ_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C628OOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BGLCDSUTRBZUMD-UHFFFAOYSA-N
Hvpx_BGLCDSUTRBZUMD_UHFFFAOYSA_N =  8.6E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_BGLCDSUTRBZUMD_UHFFFAOYSA_N =  1.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BGLCDSUTRBZUMD_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C629OH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MIXLBBAGKJLCSO-UHFFFAOYSA-N
Hvpx_MIXLBBAGKJLCSO_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MIXLBBAGKJLCSO_UHFFFAOYSA_N =  5.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MIXLBBAGKJLCSO_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C629OOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PARGUUHBZPMBOS-UHFFFAOYSA-N
Hvpx_PARGUUHBZPMBOS_UHFFFAOYSA_N =  1.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PARGUUHBZPMBOS_UHFFFAOYSA_N =  2.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PARGUUHBZPMBOS_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C630CO
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AUMGTZPDEFNUMP-UHFFFAOYSA-N
Hvpx_AUMGTZPDEFNUMP_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AUMGTZPDEFNUMP_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AUMGTZPDEFNUMP_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C65OH
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZWRMEYSYDMGCIE-UHFFFAOYSA-N
Hvpx_ZWRMEYSYDMGCIE_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZWRMEYSYDMGCIE_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZWRMEYSYDMGCIE_UHFFFAOYSA_N =  3.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C67CHO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BZFZPOBVGBFEBG-UHFFFAOYSA-N
Hvpx_BZFZPOBVGBFEBG_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BZFZPOBVGBFEBG_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BZFZPOBVGBFEBG_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO2M2OH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZFPKEBYORKZJID-UHFFFAOYSA-N
Hvpx_ZFPKEBYORKZJID_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFPKEBYORKZJID_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFPKEBYORKZJID_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO2OHOOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LMEOLDNWXYVMAA-UHFFFAOYSA-N
Hvpx_LMEOLDNWXYVMAA_UHFFFAOYSA_N =  1.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LMEOLDNWXYVMAA_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LMEOLDNWXYVMAA_UHFFFAOYSA_N =  4.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO3MOH
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WBLLHOUAAGAGCV-UHFFFAOYSA-N
Hvpx_WBLLHOUAAGAGCV_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WBLLHOUAAGAGCV_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WBLLHOUAAGAGCV_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6COHOCHO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HJNIDOQIVMJXHS-UHFFFAOYSA-N
Hvpx_HJNIDOQIVMJXHS_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HJNIDOQIVMJXHS_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HJNIDOQIVMJXHS_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6DICAROOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HIILQMKIFXFEHC-UHFFFAOYSA-N
Hvpx_HIILQMKIFXFEHC_UHFFFAOYSA_N =  9.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HIILQMKIFXFEHC_UHFFFAOYSA_N =  5.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_HIILQMKIFXFEHC_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6O132OH
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GIDOBZXUXDNRDY-UHFFFAOYSA-N
Hvpx_GIDOBZXUXDNRDY_UHFFFAOYSA_N =  4.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GIDOBZXUXDNRDY_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GIDOBZXUXDNRDY_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6TONOHOOH
! formula:  C_6H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CIXJOARRJVNUNZ-UHFFFAOYSA-N
Hvpx_CIXJOARRJVNUNZ_UHFFFAOYSA_N =  2.1E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_CIXJOARRJVNUNZ_UHFFFAOYSA_N =  4.9E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_CIXJOARRJVNUNZ_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M3CO4CHO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MIIVJRGFVJVTGE-UHFFFAOYSA-N
Hvpx_MIIVJRGFVJVTGE_UHFFFAOYSA_N =  4.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MIIVJRGFVJVTGE_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MIIVJRGFVJVTGE_UHFFFAOYSA_N =  5.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3C25C5CHO
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CLPDOVMSDUESLY-UHFFFAOYSA-N
Hvpx_CLPDOVMSDUESLY_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CLPDOVMSDUESLY_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CLPDOVMSDUESLY_UHFFFAOYSA_N =  5.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM22COCHO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UTYMQWKKMYQTHJ-UHFFFAOYSA-N
Hvpx_UTYMQWKKMYQTHJ_UHFFFAOYSA_N =  8.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UTYMQWKKMYQTHJ_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UTYMQWKKMYQTHJ_UHFFFAOYSA_N =  9.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC52CO2OH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LGFUKTGFFSPNKZ-UHFFFAOYSA-N
Hvpx_LGFUKTGFFSPNKZ_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LGFUKTGFFSPNKZ_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LGFUKTGFFSPNKZ_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC5COOHOOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XFHCIPDXRRXAPB-UHFFFAOYSA-N
Hvpx_XFHCIPDXRRXAPB_UHFFFAOYSA_N =  1.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XFHCIPDXRRXAPB_UHFFFAOYSA_N =  9.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XFHCIPDXRRXAPB_UHFFFAOYSA_N =  6.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBKHO4CHO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OYDFBAKICJVUQJ-UHFFFAOYSA-N
Hvpx_OYDFBAKICJVUQJ_UHFFFAOYSA_N =  8.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OYDFBAKICJVUQJ_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OYDFBAKICJVUQJ_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C61CHO
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BDFRSVKDVGXKLG-UHFFFAOYSA-N
Hvpx_BDFRSVKDVGXKLG_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BDFRSVKDVGXKLG_UHFFFAOYSA_N =  3.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BDFRSVKDVGXKLG_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C62CHO
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QCTBGQUOJXZEIH-UHFFFAOYSA-N
Hvpx_QCTBGQUOJXZEIH_UHFFFAOYSA_N =  7.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QCTBGQUOJXZEIH_UHFFFAOYSA_N =  4.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QCTBGQUOJXZEIH_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6COOHCO3H
! formula:  C_7H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BNWBZUAKPODUMK-UHFFFAOYSA-N
Hvpx_BNWBZUAKPODUMK_UHFFFAOYSA_N =  1.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_BNWBZUAKPODUMK_UHFFFAOYSA_N =  2.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_BNWBZUAKPODUMK_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6M5CO2OH
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YAAUSHWRBSRFSJ-UHFFFAOYSA-N
Hvpx_YAAUSHWRBSRFSJ_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YAAUSHWRBSRFSJ_UHFFFAOYSA_N =  2.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YAAUSHWRBSRFSJ_UHFFFAOYSA_N =  4.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C715CO2OH
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KBBGTWJMXYAKIO-UHFFFAOYSA-N
Hvpx_KBBGTWJMXYAKIO_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KBBGTWJMXYAKIO_UHFFFAOYSA_N =  7.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KBBGTWJMXYAKIO_UHFFFAOYSA_N =  4.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C716OH
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QFGSQPDLKNLDDS-UHFFFAOYSA-N
Hvpx_QFGSQPDLKNLDDS_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QFGSQPDLKNLDDS_UHFFFAOYSA_N =  8.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QFGSQPDLKNLDDS_UHFFFAOYSA_N =  5.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C717OH
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SEENFYUXRUQNHQ-UHFFFAOYSA-N
Hvpx_SEENFYUXRUQNHQ_UHFFFAOYSA_N =  1.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SEENFYUXRUQNHQ_UHFFFAOYSA_N =  3.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SEENFYUXRUQNHQ_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C718OH
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ALYGFZDZOCWXMF-UHFFFAOYSA-N
Hvpx_ALYGFZDZOCWXMF_UHFFFAOYSA_N =  9.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ALYGFZDZOCWXMF_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ALYGFZDZOCWXMF_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C731OH
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KHEBQEUBDOAJRG-UHFFFAOYSA-N
Hvpx_KHEBQEUBDOAJRG_UHFFFAOYSA_N =  6.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KHEBQEUBDOAJRG_UHFFFAOYSA_N =  3.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KHEBQEUBDOAJRG_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C733CO
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IRSIMXCKMCQRGW-UHFFFAOYSA-N
Hvpx_IRSIMXCKMCQRGW_UHFFFAOYSA_N =  1.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_IRSIMXCKMCQRGW_UHFFFAOYSA_N =  2.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_IRSIMXCKMCQRGW_UHFFFAOYSA_N =  3.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C733OH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WRHSSXYTISGZIA-UHFFFAOYSA-N
Hvpx_WRHSSXYTISGZIA_UHFFFAOYSA_N =  4.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WRHSSXYTISGZIA_UHFFFAOYSA_N =  1.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WRHSSXYTISGZIA_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C733OOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OWEUBRYSVXGVIC-UHFFFAOYSA-N
Hvpx_OWEUBRYSVXGVIC_UHFFFAOYSA_N =  7.4E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_OWEUBRYSVXGVIC_UHFFFAOYSA_N =  7.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_OWEUBRYSVXGVIC_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C735OH
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PHOAHMZZKPNPAM-UHFFFAOYSA-N
Hvpx_PHOAHMZZKPNPAM_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PHOAHMZZKPNPAM_UHFFFAOYSA_N =  3.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PHOAHMZZKPNPAM_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C736OH
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QWXLVLIZAXRZBR-UHFFFAOYSA-N
Hvpx_QWXLVLIZAXRZBR_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QWXLVLIZAXRZBR_UHFFFAOYSA_N =  4.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QWXLVLIZAXRZBR_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7ADCOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SVQINHOHTZDOCH-UHFFFAOYSA-N
Hvpx_SVQINHOHTZDOCH_UHFFFAOYSA_N =  4.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SVQINHOHTZDOCH_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SVQINHOHTZDOCH_UHFFFAOYSA_N =  7.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7ADCOOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: COQUITHNSRNVBJ-UHFFFAOYSA-N
Hvpx_COQUITHNSRNVBJ_UHFFFAOYSA_N =  2.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_COQUITHNSRNVBJ_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_COQUITHNSRNVBJ_UHFFFAOYSA_N =  4.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7CO3OHOOH
! formula:  C_7H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: YAEIVOJGWQGWPS-UHFFFAOYSA-N
Hvpx_YAEIVOJGWQGWPS_UHFFFAOYSA_N =  1.8E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_YAEIVOJGWQGWPS_UHFFFAOYSA_N =  1.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_YAEIVOJGWQGWPS_UHFFFAOYSA_N =  5.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7DCOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VIPBNCDHLKDPDM-UHFFFAOYSA-N
Hvpx_VIPBNCDHLKDPDM_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VIPBNCDHLKDPDM_UHFFFAOYSA_N =  2.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VIPBNCDHLKDPDM_UHFFFAOYSA_N =  4.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7DCOOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AVRZSWZUKXCJRK-UHFFFAOYSA-N
Hvpx_AVRZSWZUKXCJRK_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_AVRZSWZUKXCJRK_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AVRZSWZUKXCJRK_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7DDCOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HYCGRSOMYJQICU-UHFFFAOYSA-N
Hvpx_HYCGRSOMYJQICU_UHFFFAOYSA_N =  3.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HYCGRSOMYJQICU_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HYCGRSOMYJQICU_UHFFFAOYSA_N =  8.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7DDCOOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VSEOFSAKNXJKSZ-UHFFFAOYSA-N
Hvpx_VSEOFSAKNXJKSZ_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_VSEOFSAKNXJKSZ_UHFFFAOYSA_N =  3.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VSEOFSAKNXJKSZ_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IC7DCOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DEDFQTYPJDABTI-UHFFFAOYSA-N
Hvpx_DEDFQTYPJDABTI_UHFFFAOYSA_N =  1.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DEDFQTYPJDABTI_UHFFFAOYSA_N =  3.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DEDFQTYPJDABTI_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IC7DCOOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZVFWDEWSMKAAIM-UHFFFAOYSA-N
Hvpx_ZVFWDEWSMKAAIM_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZVFWDEWSMKAAIM_UHFFFAOYSA_N =  9.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZVFWDEWSMKAAIM_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC6CO2OH
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BNJUZVCUVNAPOM-UHFFFAOYSA-N
Hvpx_BNJUZVCUVNAPOM_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BNJUZVCUVNAPOM_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BNJUZVCUVNAPOM_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5M2OHCO3H
! formula:  C_8H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BRIBGOXGRALVGI-UHFFFAOYSA-N
Hvpx_BRIBGOXGRALVGI_UHFFFAOYSA_N =  2.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_BRIBGOXGRALVGI_UHFFFAOYSA_N =  1.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_BRIBGOXGRALVGI_UHFFFAOYSA_N =  5.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7M15CO2OH
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OEJDBFGEAKTZGI-UHFFFAOYSA-N
Hvpx_OEJDBFGEAKTZGI_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OEJDBFGEAKTZGI_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OEJDBFGEAKTZGI_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7M6CO2OH
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WXVOVBAGQNBDEE-UHFFFAOYSA-N
Hvpx_WXVOVBAGQNBDEE_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WXVOVBAGQNBDEE_UHFFFAOYSA_N =  4.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WXVOVBAGQNBDEE_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7MO3OHOOH
! formula:  C_8H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UOUKTGYLQYQUAO-UHFFFAOYSA-N
Hvpx_UOUKTGYLQYQUAO_UHFFFAOYSA_N =  1.8E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_UOUKTGYLQYQUAO_UHFFFAOYSA_N =  2.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UOUKTGYLQYQUAO_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7OHO2CO3H
! formula:  C_8H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: AOHPTSIBUCEZIY-UHFFFAOYSA-N
Hvpx_AOHPTSIBUCEZIY_UHFFFAOYSA_N =  1.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_AOHPTSIBUCEZIY_UHFFFAOYSA_N =  3.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_AOHPTSIBUCEZIY_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C815CO2OH
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IPCSMQASRIZASM-UHFFFAOYSA-N
Hvpx_IPCSMQASRIZASM_UHFFFAOYSA_N =  3.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IPCSMQASRIZASM_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IPCSMQASRIZASM_UHFFFAOYSA_N =  8.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C824CO
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BQDQKENHFIFOJZ-UHFFFAOYSA-N
Hvpx_BQDQKENHFIFOJZ_UHFFFAOYSA_N =  3.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BQDQKENHFIFOJZ_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BQDQKENHFIFOJZ_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C83COOHOOH
! formula:  C_8H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LBBMWNQOJHPRLQ-UHFFFAOYSA-N
Hvpx_LBBMWNQOJHPRLQ_UHFFFAOYSA_N =  2.0E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_LBBMWNQOJHPRLQ_UHFFFAOYSA_N =  2.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LBBMWNQOJHPRLQ_UHFFFAOYSA_N =  8.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C87OH
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DFOLUFIWIMPWQH-UHFFFAOYSA-N
Hvpx_DFOLUFIWIMPWQH_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DFOLUFIWIMPWQH_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DFOLUFIWIMPWQH_UHFFFAOYSA_N =  5.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC7CO2OH
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BSMWBPAKWVVEKL-UHFFFAOYSA-N
Hvpx_BSMWBPAKWVVEKL_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BSMWBPAKWVVEKL_UHFFFAOYSA_N =  8.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BSMWBPAKWVVEKL_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5MEJCO3H
! formula:  C_9H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: IZKMPGKTEBWFPK-UHFFFAOYSA-N
Hvpx_IZKMPGKTEBWFPK_UHFFFAOYSA_N =  3.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IZKMPGKTEBWFPK_UHFFFAOYSA_N =  2.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IZKMPGKTEBWFPK_UHFFFAOYSA_N =  9.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8O2OHCO3H
! formula:  C_9H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: MBOWYQZNYXRQRC-UHFFFAOYSA-N
Hvpx_MBOWYQZNYXRQRC_UHFFFAOYSA_N =  2.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MBOWYQZNYXRQRC_UHFFFAOYSA_N =  4.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MBOWYQZNYXRQRC_UHFFFAOYSA_N =  5.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8OHO2CO3H
! formula:  C_9H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CJLPRBWVJFSMFP-UHFFFAOYSA-N
Hvpx_CJLPRBWVJFSMFP_UHFFFAOYSA_N =  2.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_CJLPRBWVJFSMFP_UHFFFAOYSA_N =  5.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_CJLPRBWVJFSMFP_UHFFFAOYSA_N =  6.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C914OH
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LFDXAZOJHXEEGS-UHFFFAOYSA-N
Hvpx_LFDXAZOJHXEEGS_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LFDXAZOJHXEEGS_UHFFFAOYSA_N =  6.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LFDXAZOJHXEEGS_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C915OH
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FAAQZCMVHKUUSB-UHFFFAOYSA-N
Hvpx_FAAQZCMVHKUUSB_UHFFFAOYSA_N =  3.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FAAQZCMVHKUUSB_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FAAQZCMVHKUUSB_UHFFFAOYSA_N =  6.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C916OH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MXDMOPCDPNEDIT-UHFFFAOYSA-N
Hvpx_MXDMOPCDPNEDIT_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MXDMOPCDPNEDIT_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MXDMOPCDPNEDIT_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C918OH
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NFJZVEFTUBPOLY-UHFFFAOYSA-N
Hvpx_NFJZVEFTUBPOLY_UHFFFAOYSA_N =  3.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NFJZVEFTUBPOLY_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NFJZVEFTUBPOLY_UHFFFAOYSA_N =  4.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C919OH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ULXJXURNPDAXQL-UHFFFAOYSA-N
Hvpx_ULXJXURNPDAXQL_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ULXJXURNPDAXQL_UHFFFAOYSA_N =  3.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ULXJXURNPDAXQL_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C926OH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DBPGQZSZWKEZHT-UHFFFAOYSA-N
Hvpx_DBPGQZSZWKEZHT_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DBPGQZSZWKEZHT_UHFFFAOYSA_N =  7.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DBPGQZSZWKEZHT_UHFFFAOYSA_N =  4.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C930OH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LNIVXHBNNGOOPM-UHFFFAOYSA-N
Hvpx_LNIVXHBNNGOOPM_UHFFFAOYSA_N =  2.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LNIVXHBNNGOOPM_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LNIVXHBNNGOOPM_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LMLKAOH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XDMVMFNHBSPJDJ-UHFFFAOYSA-N
Hvpx_XDMVMFNHBSPJDJ_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XDMVMFNHBSPJDJ_UHFFFAOYSA_N =  2.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XDMVMFNHBSPJDJ_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LMLKBOH
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JSAHIYWZESQWRA-UHFFFAOYSA-N
Hvpx_JSAHIYWZESQWRA_UHFFFAOYSA_N =  2.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JSAHIYWZESQWRA_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JSAHIYWZESQWRA_UHFFFAOYSA_N =  5.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NORLIMOOH
! formula:  C_9H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CUMGKBRSRBORIJ-UHFFFAOYSA-N
Hvpx_CUMGKBRSRBORIJ_UHFFFAOYSA_N =  1.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_CUMGKBRSRBORIJ_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CUMGKBRSRBORIJ_UHFFFAOYSA_N =  8.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1010OH
! formula:  C_{10}H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NQWGZMQLCPYJCB-UHFFFAOYSA-N
Hvpx_NQWGZMQLCPYJCB_UHFFFAOYSA_N =  8.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NQWGZMQLCPYJCB_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NQWGZMQLCPYJCB_UHFFFAOYSA_N =  6.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1012OH
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZSBQFHQMMVQAKS-UHFFFAOYSA-N
Hvpx_ZSBQFHQMMVQAKS_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSBQFHQMMVQAKS_UHFFFAOYSA_N =  9.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSBQFHQMMVQAKS_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C106OH
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LWIDJJPVYZTGLI-UHFFFAOYSA-N
Hvpx_LWIDJJPVYZTGLI_UHFFFAOYSA_N =  2.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LWIDJJPVYZTGLI_UHFFFAOYSA_N =  6.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LWIDJJPVYZTGLI_UHFFFAOYSA_N =  5.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C107OH
! formula:  C_{10}H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DUMRJPIWTJFZCT-UHFFFAOYSA-N
Hvpx_DUMRJPIWTJFZCT_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DUMRJPIWTJFZCT_UHFFFAOYSA_N =  9.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DUMRJPIWTJFZCT_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C108OH
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZDBVABFEYYIFLR-UHFFFAOYSA-N
Hvpx_ZDBVABFEYYIFLR_UHFFFAOYSA_N =  2.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDBVABFEYYIFLR_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDBVABFEYYIFLR_UHFFFAOYSA_N =  9.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C109OH
! formula:  C_{10}H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PUENXTSKKXKPMK-UHFFFAOYSA-N
Hvpx_PUENXTSKKXKPMK_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PUENXTSKKXKPMK_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PUENXTSKKXKPMK_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMALAOH
! formula:  C_{10}H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VNYSFQVUCPNMDZ-UHFFFAOYSA-N
Hvpx_VNYSFQVUCPNMDZ_UHFFFAOYSA_N =  1.8E-05 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_VNYSFQVUCPNMDZ_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VNYSFQVUCPNMDZ_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VNYSFQVUCPNMDZ_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMALBOH
! formula:  C_{10}H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SMXSHIIAZMJGAE-UHFFFAOYSA-N
Hvpx_SMXSHIIAZMJGAE_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SMXSHIIAZMJGAE_UHFFFAOYSA_N =  3.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SMXSHIIAZMJGAE_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMALOH
! formula:  C_{10}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ISUQULRVPDSRIP-UHFFFAOYSA-N
Hvpx_ISUQULRVPDSRIP_UHFFFAOYSA_N =  2.5E-11 * EXP( -18000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_ISUQULRVPDSRIP_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ISUQULRVPDSRIP_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ISUQULRVPDSRIP_UHFFFAOYSA_N =  5.8E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMALOOH
! formula:  C_{10}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OQLBLHLZVAPRGN-UHFFFAOYSA-N
Hvpx_OQLBLHLZVAPRGN_UHFFFAOYSA_N =  1.3E-11 * EXP( -18000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_OQLBLHLZVAPRGN_UHFFFAOYSA_N =  1.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_OQLBLHLZVAPRGN_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_OQLBLHLZVAPRGN_UHFFFAOYSA_N =  5.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PINALOH
! formula:  C_{10}H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NGFXWFWSYUSJMH-UHFFFAOYSA-N
Hvpx_NGFXWFWSYUSJMH_UHFFFAOYSA_N =  6.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NGFXWFWSYUSJMH_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NGFXWFWSYUSJMH_UHFFFAOYSA_N =  7.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C116OH
! formula:  C_{11}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JMGXHRKVWURTTA-UHFFFAOYSA-N
Hvpx_JMGXHRKVWURTTA_UHFFFAOYSA_N =  5.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JMGXHRKVWURTTA_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JMGXHRKVWURTTA_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C117OH
! formula:  C_{11}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XYBUENVNXDXQKB-UHFFFAOYSA-N
Hvpx_XYBUENVNXDXQKB_UHFFFAOYSA_N =  6.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XYBUENVNXDXQKB_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XYBUENVNXDXQKB_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C117OOH
! formula:  C_{11}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NUIUIELMTMWFAB-UHFFFAOYSA-N
Hvpx_NUIUIELMTMWFAB_UHFFFAOYSA_N =  1.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_NUIUIELMTMWFAB_UHFFFAOYSA_N =  2.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_NUIUIELMTMWFAB_UHFFFAOYSA_N =  9.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C118CO
! formula:  C_{11}H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QFBAMJSHDLKQRE-UHFFFAOYSA-N
Hvpx_QFBAMJSHDLKQRE_UHFFFAOYSA_N =  4.2E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_QFBAMJSHDLKQRE_UHFFFAOYSA_N =  9.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_QFBAMJSHDLKQRE_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C118OH
! formula:  C_{11}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GQNPBTACCNTXDZ-UHFFFAOYSA-N
Hvpx_GQNPBTACCNTXDZ_UHFFFAOYSA_N =  8.8E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_GQNPBTACCNTXDZ_UHFFFAOYSA_N =  1.5E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_GQNPBTACCNTXDZ_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C118OOH
! formula:  C_{11}H_{18}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DZELKNYJHUANPY-UHFFFAOYSA-N
Hvpx_DZELKNYJHUANPY_UHFFFAOYSA_N =  3.4E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_DZELKNYJHUANPY_UHFFFAOYSA_N =  1.8E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_DZELKNYJHUANPY_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1210OH
! formula:  C_{12}H_{20}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RDCPBXUNBHOYIW-UHFFFAOYSA-N
Hvpx_RDCPBXUNBHOYIW_UHFFFAOYSA_N =  7.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RDCPBXUNBHOYIW_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RDCPBXUNBHOYIW_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1214OH
! formula:  C_{12}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LBONAAUBRWCFLP-UHFFFAOYSA-N
Hvpx_LBONAAUBRWCFLP_UHFFFAOYSA_N =  7.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LBONAAUBRWCFLP_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LBONAAUBRWCFLP_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1214OOH
! formula:  C_{12}H_{20}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RDWLNWMMPUJYPV-UHFFFAOYSA-N
Hvpx_RDWLNWMMPUJYPV_UHFFFAOYSA_N =  1.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RDWLNWMMPUJYPV_UHFFFAOYSA_N =  3.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RDWLNWMMPUJYPV_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1215CO
! formula:  C_{12}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MFAMPSJMWGSBSP-UHFFFAOYSA-N
Hvpx_MFAMPSJMWGSBSP_UHFFFAOYSA_N =  5.2E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_MFAMPSJMWGSBSP_UHFFFAOYSA_N =  1.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MFAMPSJMWGSBSP_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1215OH
! formula:  C_{12}H_{20}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ICTVPTJMPURCGE-UHFFFAOYSA-N
Hvpx_ICTVPTJMPURCGE_UHFFFAOYSA_N =  1.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_ICTVPTJMPURCGE_UHFFFAOYSA_N =  5.1E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_ICTVPTJMPURCGE_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1215OOH
! formula:  C_{12}H_{20}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: PWIVJRAMQXZVCR-UHFFFAOYSA-N
Hvpx_PWIVJRAMQXZVCR_UHFFFAOYSA_N =  4.1E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_PWIVJRAMQXZVCR_UHFFFAOYSA_N =  1.2E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_PWIVJRAMQXZVCR_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C128CO
! formula:  C_{12}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UGSIBTFJEGNWKQ-UHFFFAOYSA-N
Hvpx_UGSIBTFJEGNWKQ_UHFFFAOYSA_N =  1.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UGSIBTFJEGNWKQ_UHFFFAOYSA_N =  6.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UGSIBTFJEGNWKQ_UHFFFAOYSA_N =  8.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C128OH
! formula:  C_{12}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CFXREDIWINSYMD-UHFFFAOYSA-N
Hvpx_CFXREDIWINSYMD_UHFFFAOYSA_N =  3.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CFXREDIWINSYMD_UHFFFAOYSA_N =  1.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_CFXREDIWINSYMD_UHFFFAOYSA_N =  4.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C128OOH
! formula:  C_{12}H_{20}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UJLXMZVGYRRHNB-UHFFFAOYSA-N
Hvpx_UJLXMZVGYRRHNB_UHFFFAOYSA_N =  1.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UJLXMZVGYRRHNB_UHFFFAOYSA_N =  2.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UJLXMZVGYRRHNB_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C129OH
! formula:  C_{12}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LZLVFWPHHNPPPO-UHFFFAOYSA-N
Hvpx_LZLVFWPHHNPPPO_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LZLVFWPHHNPPPO_UHFFFAOYSA_N =  1.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LZLVFWPHHNPPPO_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1312CO
! formula:  C_{13}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OXGUTNXNCKSGQJ-UHFFFAOYSA-N
Hvpx_OXGUTNXNCKSGQJ_UHFFFAOYSA_N =  1.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OXGUTNXNCKSGQJ_UHFFFAOYSA_N =  9.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_OXGUTNXNCKSGQJ_UHFFFAOYSA_N =  8.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1312OH
! formula:  C_{13}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IOOAKPNHTHIGJB-UHFFFAOYSA-N
Hvpx_IOOAKPNHTHIGJB_UHFFFAOYSA_N =  4.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_IOOAKPNHTHIGJB_UHFFFAOYSA_N =  3.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IOOAKPNHTHIGJB_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1312OOH
! formula:  C_{13}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IMCVJRKOQRMDFG-UHFFFAOYSA-N
Hvpx_IMCVJRKOQRMDFG_UHFFFAOYSA_N =  1.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IMCVJRKOQRMDFG_UHFFFAOYSA_N =  8.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IMCVJRKOQRMDFG_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCLKAOH
! formula:  C_{14}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OIHLYIMTKSRRQE-UHFFFAOYSA-N
Hvpx_OIHLYIMTKSRRQE_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OIHLYIMTKSRRQE_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OIHLYIMTKSRRQE_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCLKBOH
! formula:  C_{14}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LFMWXXSOGPOZAN-UHFFFAOYSA-N
Hvpx_LFMWXXSOGPOZAN_UHFFFAOYSA_N =  2.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LFMWXXSOGPOZAN_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LFMWXXSOGPOZAN_UHFFFAOYSA_N =  7.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCLKCOH
! formula:  C_{14}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WUCWLUFQNHHRAC-UHFFFAOYSA-N
Hvpx_WUCWLUFQNHHRAC_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WUCWLUFQNHHRAC_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WUCWLUFQNHHRAC_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C144OOH
! formula:  C_{14}H_{24}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GLUIAMUUMIPXJY-UHFFFAOYSA-N
Hvpx_GLUIAMUUMIPXJY_UHFFFAOYSA_N =  1.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GLUIAMUUMIPXJY_UHFFFAOYSA_N =  8.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GLUIAMUUMIPXJY_UHFFFAOYSA_N =  9.5E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C146OH
! formula:  C_{14}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MRXVSIMJFRVVPA-UHFFFAOYSA-N
Hvpx_MRXVSIMJFRVVPA_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MRXVSIMJFRVVPA_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MRXVSIMJFRVVPA_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCALAOH
! formula:  C_{15}H_{24}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SOIICZPFVOBBSJ-UHFFFAOYSA-N
Hvpx_SOIICZPFVOBBSJ_UHFFFAOYSA_N =  8.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SOIICZPFVOBBSJ_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SOIICZPFVOBBSJ_UHFFFAOYSA_N =  8.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCALBOH
! formula:  C_{15}H_{24}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WYNIZHBHTSXQQC-UHFFFAOYSA-N
Hvpx_WYNIZHBHTSXQQC_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WYNIZHBHTSXQQC_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WYNIZHBHTSXQQC_UHFFFAOYSA_N =  9.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCALCOH
! formula:  C_{15}H_{24}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NQPQIVDLCLYNNZ-UHFFFAOYSA-N
Hvpx_NQPQIVDLCLYNNZ_UHFFFAOYSA_N =  8.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NQPQIVDLCLYNNZ_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NQPQIVDLCLYNNZ_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCALOH
! formula:  C_{15}H_{26}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MPEWUZJEETZOEB-UHFFFAOYSA-N
Hvpx_MPEWUZJEETZOEB_UHFFFAOYSA_N =  1.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MPEWUZJEETZOEB_UHFFFAOYSA_N =  1.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MPEWUZJEETZOEB_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCALOOH
! formula:  C_{15}H_{26}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HSCKVTFOUFPNNB-UHFFFAOYSA-N
Hvpx_HSCKVTFOUFPNNB_UHFFFAOYSA_N =  1.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HSCKVTFOUFPNNB_UHFFFAOYSA_N =  6.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HSCKVTFOUFPNNB_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409

! species:  methanoic acid
! formula:  HCOOH
! trivial:  formic acid
! casrn:    64-18-6
! inchikey: BDAGIHXWWSANSR-UHFFFAOYSA-N
Hvpx______64_18_6 =  6.2E-03 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______64_18_6 =  6.2E-03 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______64_18_6 =  6.2E-03 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______64_18_6 =  6.2E-03 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______64_18_6 =  8.2E-03 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______64_18_6 =  6.2E-03 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 511
Hvpx______64_18_6 =  1.0E-02                                  ! [atm] type: M, ref: 493
Hvpx______64_18_6 =  1.0E-02 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2230
Hvpx______64_18_6 =  4.1E-03                                  ! [atm] type: M, ref: 520
Hvpx______64_18_6 =  7.5E-03                                  ! [atm] type: M, ref: 4023
Hvpx______64_18_6 =  3.6E-02                                  ! [atm] type: V, ref: 2439
Hvpx______64_18_6 =  1.5E-02 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: T, ref: 46
Hvpx______64_18_6 =  9.9E-03                                  ! [atm] type: T, ref: 508
Hvpx______64_18_6 =  9.2E-03                                  ! [atm] type: X, ref: gaffney84
Hvpx______64_18_6 =  1.1E-02                                  ! [atm] type: C, ref: 511
Hvpx______64_18_6 =  1.1E-02                                  ! [atm] type: C, ref: 538
Hvpx______64_18_6 =  1.0E-02                                  ! [atm] type: C, ref: 538
Hvpx______64_18_6 =  1.5E-02 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: C, ref: 31
Hvpx______64_18_6 =  1.6E-02 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: C, ref: 34
Hvpx______64_18_6 =  2.6E-03                                  ! [atm] type: Q, ref: 3730
Hvpx______64_18_6 =  1.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______64_18_6 =  2.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______64_18_6 =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______64_18_6 =  5.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______64_18_6 =  2.4E-03                                  ! [atm] type: Q, ref: 2521
Hvpx______64_18_6 =  4.7E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______64_18_6 =  9.4E-03                                  ! [atm] type: Q, ref: 2535
Hvpx______64_18_6 =  6.3E-03                                  ! [atm] type: Q, ref: 3613
Hvpx______64_18_6 =  7.1E-02                                  ! [atm] type: Q, ref: 3764
Hvpx______64_18_6 =  9.2E-03                                  ! [atm] type: ?, ref: 3586
Hvpx______64_18_6 =  4.2E-02                                  ! [atm] type: ?, ref: 2440
Hvpx______64_18_6 =  6.1E-02                                  ! [atm] type: ?, ref: 789

! species:  ethanoic acid
! formula:  CH_3COOH
! trivial:  acetic acid
! casrn:    64-19-7
! inchikey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
Hvpx______64_19_7 =  1.3E-02 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______64_19_7 =  1.3E-02 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______64_19_7 =  1.3E-02 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______64_19_7 =  1.3E-02 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______64_19_7 =  1.2E-02 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______64_19_7 =  3.8E-02                                  ! [atm] type: M, ref: 1721
Hvpx______64_19_7 =  1.3E-02 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 511
Hvpx______64_19_7 =  1.0E-02                                  ! [atm] type: M, ref: 493
Hvpx______64_19_7 =  1.0E-02 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2230
Hvpx______64_19_7 =  6.0E-03                                  ! [atm] type: M, ref: 520
Hvpx______64_19_7 =  6.0E-02                                  ! [atm] type: V, ref: 2439
Hvpx______64_19_7 =  1.1E-02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: T, ref: 3674
Hvpx______64_19_7 =  6.3E-03 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: T, ref: 76
Hvpx______64_19_7 =  6.3E-03                                  ! [atm] type: T, ref: 508
Hvpx______64_19_7 =  5.6E-02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______64_19_7 =  5.5E-03                                  ! [atm] type: X, ref: gaffney84
Hvpx______64_19_7 =  1.1E-02                                  ! [atm] type: C, ref: 511
Hvpx______64_19_7 =  1.1E-02                                  ! [atm] type: C, ref: 538
Hvpx______64_19_7 =  6.4E-03                                  ! [atm] type: C, ref: 538
Hvpx______64_19_7 =  5.3E-03                                  ! [atm] type: Q, ref: 3730
Hvpx______64_19_7 =  1.8E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______64_19_7 =  3.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______64_19_7 =  1.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______64_19_7 =  8.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______64_19_7 =  1.7E-02                                  ! [atm] type: Q, ref: 3689
Hvpx______64_19_7 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______64_19_7 =  4.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______64_19_7 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______64_19_7 =  4.3E-03                                  ! [atm] type: Q, ref: 2521
Hvpx______64_19_7 =  1.7E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______64_19_7 =  5.5E-03                                  ! [atm] type: Q, ref: 2535
Hvpx______64_19_7 =  1.8E-02                                  ! [atm] type: Q, ref: 3613
Hvpx______64_19_7 =  1.7E-02                                  ! [atm] type: Q, ref: 2543
Hvpx______64_19_7 =  5.0E-02                                  ! [atm] type: Q, ref: 3764
Hvpx______64_19_7 =  2.4E-02                                  ! [atm] type: Q, ref: 731
Hvpx______64_19_7 =  1.8E-02                                  ! [atm] type: Q, ref: 1162
Hvpx______64_19_7 =  1.4E-02                                  ! [atm] type: Q, ref: 2482
Hvpx______64_19_7 =  5.5E-03                                  ! [atm] type: ?, ref: 3586
Hvpx______64_19_7 =  5.1E-02                                  ! [atm] type: ?, ref: 3549
Hvpx______64_19_7 =  6.5E-02                                  ! [atm] type: ?, ref: 2440
Hvpx______64_19_7 =  6.6E-02                                  ! [atm] type: ?, ref: 789
Hvpx______64_19_7 =  1.7E-02                                  ! [atm] type: ?, ref: 1500
Hvpx______64_19_7 =  1.7E-02                                  ! [atm] type: ?, ref: 642

! species:  acetic anhydride
! formula:  C_4H_6O_3
! trivial:  
! casrn:    108-24-7
! inchikey: WFDIJRYMOXRFFG-UHFFFAOYSA-N
Hvpx_____108_24_7 =  3.2E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____108_24_7 =  1.5E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_24_7 =  8.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_24_7 =  3.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_24_7 =  1.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_24_7 =  3.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_24_7 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_24_7 =  1.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_24_7 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_24_7 =  1.4E-01                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_24_7 =  7.7E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_24_7 =  2.4E-01                                  ! [atm] type: ?, ref: 2440

! species:  propanoic acid
! formula:  C_2H_5COOH
! trivial:  propionic acid
! casrn:    79-09-4
! inchikey: XBDQKXXYIPTUBI-UHFFFAOYSA-N
Hvpx______79_09_4 =  7.7E-03                                  ! [atm] type: M, ref: 3684
Hvpx______79_09_4 =  3.7E-02                                  ! [atm] type: M, ref: 1721
Hvpx______79_09_4 =  9.7E-03                                  ! [atm] type: M, ref: 493
Hvpx______79_09_4 =  9.8E-03                                  ! [atm] type: M, ref: 2230
Hvpx______79_09_4 =  8.9E-03                                  ! [atm] type: M, ref: 520
Hvpx______79_09_4 =  2.4E-02                                  ! [atm] type: M, ref: 713
Hvpx______79_09_4 =  1.5E-02 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: T, ref: 3674
Hvpx______79_09_4 =  2.1E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______79_09_4 =  1.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______79_09_4 =  4.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_09_4 =  2.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______79_09_4 =  3.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_09_4 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_09_4 =  4.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______79_09_4 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_09_4 =  7.8E-03                                  ! [atm] type: Q, ref: 2521
Hvpx______79_09_4 =  1.9E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______79_09_4 =  2.3E-02                                  ! [atm] type: Q, ref: 2535
Hvpx______79_09_4 =  2.5E-02                                  ! [atm] type: Q, ref: 3613
Hvpx______79_09_4 =  2.4E-02                                  ! [atm] type: Q, ref: 2543
Hvpx______79_09_4 =  2.2E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______79_09_4 =  9.8E-02                                  ! [atm] type: Q, ref: 731
Hvpx______79_09_4 =  2.3E-02                                  ! [atm] type: Q, ref: 1162
Hvpx______79_09_4 =  1.6E-02                                  ! [atm] type: Q, ref: 2482
Hvpx______79_09_4 =  2.5E-02                                  ! [atm] type: ?, ref: 3586
Hvpx______79_09_4 =  5.1E-02                                  ! [atm] type: ?, ref: 2440
Hvpx______79_09_4 =  2.5E-02                                  ! [atm] type: ?, ref: 1500
Hvpx______79_09_4 =  2.5E-02                                  ! [atm] type: ?, ref: 642

! species:  methoxyacetic acid
! formula:  C_3H_6O_3
! trivial:  
! casrn:    625-45-6
! inchikey: RMIODHQZRUFFFF-UHFFFAOYSA-N
Hvpx_____625_45_6 =  3.6E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____625_45_6 =  1.8E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____625_45_6 =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_45_6 =  8.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_45_6 =  5.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  butanoic acid
! formula:  C_3H_7COOH
! trivial:  butyric acid
! casrn:    107-92-6
! inchikey: FERIUCNNQQJTOY-UHFFFAOYSA-N
Hvpx_____107_92_6 =  1.3E-02                                  ! [atm] type: M, ref: 3684
Hvpx_____107_92_6 =  5.6E-02                                  ! [atm] type: M, ref: 1721
Hvpx_____107_92_6 =  1.2E-02                                  ! [atm] type: M, ref: 493
Hvpx_____107_92_6 =  1.2E-02                                  ! [atm] type: M, ref: 2230
Hvpx_____107_92_6 =  3.0E-02                                  ! [atm] type: M, ref: 713
Hvpx_____107_92_6 =  5.8E-02                                  ! [atm] type: V, ref: 2439
Hvpx_____107_92_6 =  2.2E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_92_6 =  1.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_92_6 =  6.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_92_6 =  4.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_92_6 =  4.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_92_6 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_92_6 =  8.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_92_6 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_92_6 =  1.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_92_6 =  2.2E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_92_6 =  3.3E-02                                  ! [atm] type: Q, ref: 3613
Hvpx_____107_92_6 =  3.0E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____107_92_6 =  2.0E-01                                  ! [atm] type: Q, ref: 731
Hvpx_____107_92_6 =  3.0E-02                                  ! [atm] type: Q, ref: 1162
Hvpx_____107_92_6 =  2.0E-02                                  ! [atm] type: Q, ref: 2482
Hvpx_____107_92_6 =  3.0E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____107_92_6 =  3.0E-02                                  ! [atm] type: ?, ref: 1500
Hvpx_____107_92_6 =  3.0E-02                                  ! [atm] type: ?, ref: 642

! species:  2-methylpropanoic acid
! formula:  (CH_3)_2CHCOOH
! trivial:  isobutyric acid
! casrn:    79-31-2
! inchikey: KQNPFQTWMSNSAP-UHFFFAOYSA-N
Hvpx______79_31_2 =  1.2E-02                                  ! [atm] type: M, ref: 3684
Hvpx______79_31_2 =  5.7E-02                                  ! [atm] type: M, ref: 1721
Hvpx______79_31_2 =  4.9E-02                                  ! [atm] type: M, ref: 493
Hvpx______79_31_2 =  4.9E-02                                  ! [atm] type: M, ref: 2230
Hvpx______79_31_2 =  9.7E-03                                  ! [atm] type: M, ref: 520
Hvpx______79_31_2 =  3.9E-01                                  ! [atm] type: V, ref: 2613
Hvpx______79_31_2 =  2.2E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______79_31_2 =  2.8E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______79_31_2 =  5.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_31_2 =  8.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______79_31_2 =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_31_2 =  2.7E-02                                  ! [atm] type: Q, ref: 3406
Hvpx______79_31_2 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_31_2 =  1.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_31_2 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_31_2 =  2.1E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______79_31_2 =  1.2E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______79_31_2 =  4.9E-02                                  ! [atm] type: ?, ref: 3586
Hvpx______79_31_2 =  4.9E-02                                  ! [atm] type: ?, ref: 2440

! species:  pentanoic acid
! formula:  C_4H_9COOH
! trivial:  valeric acid
! casrn:    109-52-4
! inchikey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Hvpx_____109_52_4 =  2.4E-02 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____109_52_4 =  2.3E-02                                  ! [atm] type: M, ref: 3684
Hvpx_____109_52_4 =  4.5E-02                                  ! [atm] type: M, ref: 1721
Hvpx_____109_52_4 =  2.4E-02 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: M, ref: 493
Hvpx_____109_52_4 =  2.6E-02 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2230
Hvpx_____109_52_4 =  4.4E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____109_52_4 =  4.4E-02                                  ! [atm] type: V, ref: 636
Hvpx_____109_52_4 =  3.4E-02                                  ! [atm] type: V, ref: 2231
Hvpx_____109_52_4 =  4.2E-02                                  ! [atm] type: V, ref: 2388
Hvpx_____109_52_4 =  7.1E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_52_4 =  4.4E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_52_4 =  1.0E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_52_4 =  6.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_52_4 =  8.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_52_4 =  3.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_52_4 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_52_4 =  1.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_52_4 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_52_4 =  3.5E-02                                  ! [atm] type: Q, ref: 3579
Hvpx_____109_52_4 =  1.7E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_52_4 =  3.0E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_52_4 =  3.9E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_52_4 =  4.8E-02                                  ! [atm] type: Q, ref: 3613
Hvpx_____109_52_4 =  3.9E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_52_4 =  1.9E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_52_4 =  2.5E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____109_52_4 =  2.6E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____109_52_4 =  7.4E-02                                  ! [atm] type: ?, ref: 2440
Hvpx_____109_52_4 =  4.1E-02                                  ! [atm] type: ?, ref: 1500

! species:  2-methylbutanoic acid
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    116-53-0
! inchikey: WLAMNBDJUVNPJU-UHFFFAOYSA-N
Hvpx_____116_53_0 =  8.1E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____116_53_0 =  1.1E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____116_53_0 =  2.6E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____116_53_0 =  6.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____116_53_0 =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____116_53_0 =  3.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____116_53_0 =  6.6E-02                                  ! [atm] type: Q, ref: 3579
Hvpx_____116_53_0 =  3.3E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____116_53_0 =  1.3E-02                                  ! [atm] type: Q, ref: 2530

! species:  3-methylbutanoic acid
! formula:  (CH_3)_2CHCH_2COOH
! trivial:  isovaleric acid
! casrn:    503-74-2
! inchikey: GWYFCOCPABKNJV-UHFFFAOYSA-N
Hvpx_____503_74_2 =  2.0E-02                                  ! [atm] type: M, ref: 3684
Hvpx_____503_74_2 =  4.9E-02                                  ! [atm] type: M, ref: 1721
Hvpx_____503_74_2 =  4.6E-02                                  ! [atm] type: M, ref: 493
Hvpx_____503_74_2 =  4.6E-02                                  ! [atm] type: M, ref: 2230
Hvpx_____503_74_2 =  4.6E-02                                  ! [atm] type: M, ref: 2388
Hvpx_____503_74_2 =  3.4E-01                                  ! [atm] type: V, ref: 2613
Hvpx_____503_74_2 =  3.4E-01                                  ! [atm] type: V, ref: 636
Hvpx_____503_74_2 =  7.4E-02                                  ! [atm] type: V, ref: 2388
Hvpx_____503_74_2 =  5.2E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____503_74_2 =  4.4E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____503_74_2 =  2.6E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____503_74_2 =  6.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____503_74_2 =  8.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____503_74_2 =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____503_74_2 =  2.5E-02                                  ! [atm] type: Q, ref: 3406
Hvpx_____503_74_2 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____503_74_2 =  1.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____503_74_2 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____503_74_2 =  6.5E-02                                  ! [atm] type: Q, ref: 3579
Hvpx_____503_74_2 =  2.0E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____503_74_2 =  2.8E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____503_74_2 =  1.1E-02                                  ! [atm] type: Q, ref: 3731
Hvpx_____503_74_2 =  3.9E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____503_74_2 =  4.6E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____503_74_2 =  7.8E-02                                  ! [atm] type: ?, ref: 2440
Hvpx_____503_74_2 =  4.6E-02                                  ! [atm] type: ?, ref: 1500

! species:  2,2-dimethylpropanoic acid
! formula:  (CH_3)_3CCOOH
! trivial:  pivalic acid
! casrn:    75-98-9
! inchikey: IUGYQRQAERSCNH-UHFFFAOYSA-N
Hvpx______75_98_9 =  1.6E-01                                  ! [atm] type: M, ref: 493
Hvpx______75_98_9 =  1.5E-01                                  ! [atm] type: M, ref: 2230
Hvpx______75_98_9 =  6.5E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_98_9 =  4.4E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______75_98_9 =  5.8E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______75_98_9 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_98_9 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_98_9 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_98_9 =  7.9E-02                                  ! [atm] type: Q, ref: 3579
Hvpx______75_98_9 =  4.7E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_98_9 =  3.5E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______75_98_9 =  1.5E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______75_98_9 =  6.0E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______75_98_9 =  1.5E-01                                  ! [atm] type: ?, ref: 3586

! species:  hexanoic acid
! formula:  C_5H_{11}COOH
! trivial:  caproic acid
! casrn:    142-62-1
! inchikey: FUZZWVXGSFPDMH-UHFFFAOYSA-N
Hvpx_____142_62_1 =  4.3E-02 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____142_62_1 =  5.5E-02                                  ! [atm] type: M, ref: 3684
Hvpx_____142_62_1 =  7.3E-02                                  ! [atm] type: M, ref: 1721
Hvpx_____142_62_1 =  4.1E-02 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 493
Hvpx_____142_62_1 =  4.2E-02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2230
Hvpx_____142_62_1 =  3.3E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____142_62_1 =  3.3E-01                                  ! [atm] type: V, ref: 636
Hvpx_____142_62_1 =  4.8E-02                                  ! [atm] type: V, ref: 2231
Hvpx_____142_62_1 =  2.7E-02                                  ! [atm] type: V, ref: 2439
Hvpx_____142_62_1 =  2.3E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____142_62_1 =  9.0E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____142_62_1 =  9.3E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____142_62_1 =  3.1E-02                                  ! [atm] type: Q, ref: 3406
Hvpx_____142_62_1 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_62_1 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_62_1 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_62_1 =  4.0E-02                                  ! [atm] type: Q, ref: 3579
Hvpx_____142_62_1 =  2.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____142_62_1 =  3.2E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____142_62_1 =  3.9E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____142_62_1 =  6.6E-02                                  ! [atm] type: Q, ref: 3613
Hvpx_____142_62_1 =  1.4E-02                                  ! [atm] type: Q, ref: 3731
Hvpx_____142_62_1 =  4.9E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____142_62_1 =  6.9E-02                                  ! [atm] type: Q, ref: 3764
Hvpx_____142_62_1 =  3.2E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____142_62_1 =  4.2E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____142_62_1 =  3.8E-02                                  ! [atm] type: ?, ref: 2440
Hvpx_____142_62_1 =  3.7E-02                                  ! [atm] type: ?, ref: 1500

! species:  2-methylpentanoic acid
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    97-61-0
! inchikey: OVBFMEVBMNZIBR-UHFFFAOYSA-N
Hvpx______97_61_0 =  5.0E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______97_61_0 =  1.5E-02                                  ! [atm] type: Q, ref: 2530

! species:  2-ethylbutanoic acid
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    88-09-5
! inchikey: OXQGTIUCKGYOAA-UHFFFAOYSA-N
Hvpx______88_09_5 =  8.9E-02                                  ! [atm] type: V, ref: 3586
Hvpx______88_09_5 =  1.3E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______88_09_5 =  2.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______88_09_5 =  6.2E-02                                  ! [atm] type: Q, ref: 3406
Hvpx______88_09_5 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______88_09_5 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______88_09_5 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______88_09_5 =  7.2E-02                                  ! [atm] type: Q, ref: 3579
Hvpx______88_09_5 =  6.0E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______88_09_5 =  1.7E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______88_09_5 =  8.9E-02                                  ! [atm] type: Q, ref: 2535
Hvpx______88_09_5 =  6.9E-01                                  ! [atm] type: Q, ref: 3764

! species:  heptanoic acid
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    111-14-8
! inchikey: MNWFXJYAOYHMED-UHFFFAOYSA-N
Hvpx_____111_14_8 =  3.7E-02                                  ! [atm] type: M, ref: 3684
Hvpx_____111_14_8 =  3.6E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____111_14_8 =  5.7E-02                                  ! [atm] type: V, ref: 2231
Hvpx_____111_14_8 =  8.9E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_14_8 =  9.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_14_8 =  1.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_14_8 =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_14_8 =  5.3E-02                                  ! [atm] type: Q, ref: 3406
Hvpx_____111_14_8 =  3.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_14_8 =  3.5E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_14_8 =  1.8E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_14_8 =  8.5E-02                                  ! [atm] type: Q, ref: 3613
Hvpx_____111_14_8 =  1.9E-02                                  ! [atm] type: Q, ref: 3731
Hvpx_____111_14_8 =  1.3E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_14_8 =  2.1E-02                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_14_8 =  4.1E-02                                  ! [atm] type: ?, ref: 1500

! species:  4,4-dimethylpentanoic acid
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    95823-36-2
! inchikey: HMMSZUQCCUWXRA-UHFFFAOYSA-N
Hvpx___95823_36_2 =  1.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___95823_36_2 =  4.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___95823_36_2 =  3.4E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___95823_36_2 =  3.3E-01                                  ! [atm] type: Q, ref: 2995

! species:  2-ethyl-2-methylbutanoic acid
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    19889-37-3
! inchikey: LHJPKLWGGMAUAN-UHFFFAOYSA-N
Hvpx___19889_37_3 =  1.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___19889_37_3 =  1.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___19889_37_3 =  2.4E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___19889_37_3 =  3.3E-01                                  ! [atm] type: Q, ref: 2995

! species:  octanoic acid
! formula:  C_8H_{16}O_2
! trivial:  caprylic acid
! casrn:    124-07-2
! inchikey: WWZKQHOCKIZLMA-UHFFFAOYSA-N
Hvpx_____124_07_2 =  4.9E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____124_07_2 =  3.7E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____124_07_2 =  3.7E+00                                  ! [atm] type: V, ref: 636
Hvpx_____124_07_2 =  7.2E-02                                  ! [atm] type: V, ref: 2231
Hvpx_____124_07_2 =  2.9E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____124_07_2 =  8.6E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____124_07_2 =  8.4E-02                                  ! [atm] type: Q, ref: 3406
Hvpx_____124_07_2 =  4.4E-02                                  ! [atm] type: Q, ref: 3579
Hvpx_____124_07_2 =  4.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____124_07_2 =  4.4E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____124_07_2 =  4.6E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____124_07_2 =  9.5E-02                                  ! [atm] type: Q, ref: 3613
Hvpx_____124_07_2 =  2.0E-02                                  ! [atm] type: Q, ref: 3731
Hvpx_____124_07_2 =  9.4E-02                                  ! [atm] type: Q, ref: 3764
Hvpx_____124_07_2 =  5.3E-02                                  ! [atm] type: ?, ref: 2440
Hvpx_____124_07_2 =  4.9E-02                                  ! [atm] type: ?, ref: 1500

! species:  2-ethylhexanoic acid
! formula:  C_8H_{16}O_2
! trivial:  
! casrn:    149-57-5
! inchikey: OBETXYAYXDNJHR-UHFFFAOYSA-N
Hvpx_____149_57_5 =  1.5E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____149_57_5 =  1.6E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____149_57_5 =  2.3E-02                                  ! [atm] type: Q, ref: 2530

! species:  endothal
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    145-73-3
! inchikey: GXEKYRXVRROBEV-UHFFFAOYSA-N
Hvpx_____145_73_3 =  2.1E-11                                  ! [atm] type: V, ref: 3586
Hvpx_____145_73_3 =  3.8E-07                                  ! [atm] type: Q, ref: 3586

! species:  nonanoic acid
! formula:  C_9H_{18}O_2
! trivial:  pelargic acid
! casrn:    112-05-0
! inchikey: FBUKVWPVBMHYJY-UHFFFAOYSA-N
Hvpx_____112_05_0 =  9.0E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____112_05_0 =  1.4E-01                                  ! [atm] type: V, ref: 2231
Hvpx_____112_05_0 =  2.8E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_05_0 =  8.0E-02                                  ! [atm] type: C, ref: 2521
Hvpx_____112_05_0 =  8.4E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____112_05_0 =  1.4E-01                                  ! [atm] type: Q, ref: 3406
Hvpx_____112_05_0 =  4.3E-02                                  ! [atm] type: Q, ref: 3579
Hvpx_____112_05_0 =  5.5E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_05_0 =  4.5E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____112_05_0 =  4.6E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____112_05_0 =  1.3E-01                                  ! [atm] type: Q, ref: 3613
Hvpx_____112_05_0 =  2.4E-02                                  ! [atm] type: Q, ref: 3731
Hvpx_____112_05_0 =  9.8E-02                                  ! [atm] type: Q, ref: 3764
Hvpx_____112_05_0 =  1.8E-01                                  ! [atm] type: ?, ref: 3549
Hvpx_____112_05_0 =  5.2E-02                                  ! [atm] type: ?, ref: 2440

! species:  decanoic acid
! formula:  C_{10}H_{20}O_2
! trivial:  
! casrn:    334-48-5
! inchikey: GHVNFZFCNZKVNT-UHFFFAOYSA-N
Hvpx_____334_48_5 =  7.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____334_48_5 =  8.3E-02                                  ! [atm] type: C, ref: 2521
Hvpx_____334_48_5 =  8.2E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____334_48_5 =  7.1E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____334_48_5 =  5.4E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____334_48_5 =  1.8E-01                                  ! [atm] type: Q, ref: 3613
Hvpx_____334_48_5 =  2.9E-03                                  ! [atm] type: ?, ref: 2440

! species:  3,3,5,5-tetramethylhexanoic acid
! formula:  C_{10}H_{20}O_2
! trivial:  
! casrn:    1135681-77-4
! inchikey: WRPPDRMFGQJMAR-UHFFFAOYSA-N
Hvpx_1135681_77_4 =  2.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_1135681_77_4 =  1.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_1135681_77_4 =  5.3E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_1135681_77_4 =  8.9E-01                                  ! [atm] type: Q, ref: 2995

! species:  pinonic acid
! formula:  C_{10}H_{16}O_3
! trivial:  
! casrn:    473-72-3
! inchikey: SIZDUQQDBXJXLQ-UHFFFAOYSA-N
Hvpx_____473_72_3 =  8.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____473_72_3 =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_____473_72_3 =  8.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_____473_72_3 =  9.2E-06                                  ! [atm] type: Q, ref: 3413

! species:  undecanoic acid
! formula:  C_{11}H_{22}O_2
! trivial:  
! casrn:    112-37-8
! inchikey: ZDPHROOEEOARMN-UHFFFAOYSA-N
Hvpx_____112_37_8 =  7.1E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_37_8 =  3.1E-02                                  ! [atm] type: Q, ref: 3579
Hvpx_____112_37_8 =  9.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_37_8 =  2.5E-01                                  ! [atm] type: Q, ref: 3613

! species:  dodecanoic acid
! formula:  C_{12}H_{24}O_2
! trivial:  
! casrn:    143-07-7
! inchikey: POULHZVOKOAJMA-UHFFFAOYSA-N
Hvpx_____143_07_7 =  1.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____143_07_7 =  3.2E-01                                  ! [atm] type: Q, ref: 3613
Hvpx_____143_07_7 =  3.3E-02                                  ! [atm] type: Q, ref: 3731
Hvpx_____143_07_7 =  6.5E-03                                  ! [atm] type: ?, ref: 2440

! species:  tridecanoic acid
! formula:  C_{13}H_{26}O_2
! trivial:  
! casrn:    638-53-9
! inchikey: SZHOJFHSIKHZHA-UHFFFAOYSA-N
Hvpx_____638_53_9 =  6.8E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____638_53_9 =  1.4E-02                                  ! [atm] type: Q, ref: 3579
Hvpx_____638_53_9 =  4.6E-01                                  ! [atm] type: Q, ref: 3613

! species:  tetradecanoic acid
! formula:  C_{14}H_{28}O_2
! trivial:  
! casrn:    544-63-8
! inchikey: TUNFSRHWOTWDNC-UHFFFAOYSA-N
Hvpx_____544_63_8 =  2.7E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____544_63_8 =  7.7E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____544_63_8 =  5.8E-01                                  ! [atm] type: Q, ref: 3613

! species:  pentadecanoic acid
! formula:  C_{15}H_{30}O_2
! trivial:  
! casrn:    1002-84-2
! inchikey: WQEPLUUGTLDZJY-UHFFFAOYSA-N
Hvpx____1002_84_2 =  7.7E-01                                  ! [atm] type: Q, ref: 3613

! species:  hexadecanoic acid
! formula:  C_{16}H_{32}O_2
! trivial:  palmitic acid
! casrn:    57-10-3
! inchikey: IPCSVZSSVZVIGE-UHFFFAOYSA-N
Hvpx______57_10_3 =  1.1E+00                                  ! [atm] type: V, ref: 3586
Hvpx______57_10_3 =  7.6E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______57_10_3 =  1.8E-01                                  ! [atm] type: Q, ref: 3406
Hvpx______57_10_3 =  1.1E+00                                  ! [atm] type: Q, ref: 3613

! species:  heptadecanoic acid
! formula:  C_{17}H_{34}O_2
! trivial:  margaric acid
! casrn:    506-12-7
! inchikey: KEMQGTRYUADPNZ-UHFFFAOYSA-N
Hvpx_____506_12_7 =  1.4E+00                                  ! [atm] type: Q, ref: 3613

! species:  octadecanoic acid
! formula:  C_{18}H_{36}O_2
! trivial:  stearic acid
! casrn:    57-11-4
! inchikey: QIQXTHQIDYTFRH-UHFFFAOYSA-N
Hvpx______57_11_4 =  2.6E-02                                  ! [atm] type: V, ref: 3586
Hvpx______57_11_4 =  2.2E-06                                  ! [atm] type: V, ref: 636
Hvpx______57_11_4 =  7.5E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______57_11_4 =  6.5E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______57_11_4 =  1.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______57_11_4 =  1.8E+00                                  ! [atm] type: Q, ref: 3613

! species:  nonadecanoic acid
! formula:  C_{19}H_{38}O_2
! trivial:  
! casrn:    646-30-0
! inchikey: ISYWECDDZWTKFF-UHFFFAOYSA-N
Hvpx_____646_30_0 =  2.4E+00                                  ! [atm] type: Q, ref: 3613

! species:  eicosanoic acid
! formula:  C_{20}H_{40}O_2
! trivial:  arachidic acid
! casrn:    506-30-9
! inchikey: VKOBVWXKNCXXDE-UHFFFAOYSA-N
Hvpx_____506_30_9 =  3.2E+00                                  ! [atm] type: Q, ref: 3613

! species:  heneicosanoic acid
! formula:  C_{21}H_{42}O_2
! trivial:  
! casrn:    2363-71-5
! inchikey: CKDDRHZIAZRDBW-UHFFFAOYSA-N
Hvpx____2363_71_5 =  4.3E+00                                  ! [atm] type: Q, ref: 3613

! species:  docosanoic acid
! formula:  C_{22}H_{44}O_2
! trivial:  behenic acid
! casrn:    112-85-6
! inchikey: UKMSUNONTOPOIO-UHFFFAOYSA-N
Hvpx_____112_85_6 =  5.8E+00                                  ! [atm] type: Q, ref: 3613

! species:  tricosanoic acid
! formula:  C_{23}H_{46}O_2
! trivial:  
! casrn:    2433-96-7
! inchikey: XEZVDURJDFGERA-UHFFFAOYSA-N
Hvpx____2433_96_7 =  7.6E+00                                  ! [atm] type: Q, ref: 3613

! species:  tetracosanoic acid
! formula:  C_{24}H_{48}O_2
! trivial:  lignoceric acid
! casrn:    557-59-5
! inchikey: QZZGJDVWLFXDLK-UHFFFAOYSA-N
Hvpx_____557_59_5 =  1.0E+01                                  ! [atm] type: Q, ref: 3613

! species:  propenoic acid
! formula:  C_3H_4O_2
! trivial:  acrylic acid
! casrn:    79-10-7
! inchikey: NIXOWILDQLNWCW-UHFFFAOYSA-N
Hvpx______79_10_7 =  2.0E-02                                  ! [atm] type: V, ref: 3586
Hvpx______79_10_7 =  1.7E-02                                  ! [atm] type: V, ref: 477
Hvpx______79_10_7 =  4.7E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______79_10_7 =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_10_7 =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_10_7 =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_10_7 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_10_7 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_10_7 =  1.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_10_7 =  2.5E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______79_10_7 =  5.8E-04                                  ! [atm] type: Q, ref: 2530
Hvpx______79_10_7 =  2.2E-02                                  ! [atm] type: ?, ref: 2440
Hvpx______79_10_7 =  2.3E-02                                  ! [atm] type: ?, ref: 789

! species:  2-butenoic acid
! formula:  C_4H_6O_2
! trivial:  crotonic acid
! casrn:    3724-65-0
! inchikey: LDHQCZJRKDOVOX-UHFFFAOYSA-N
Hvpx____3724_65_0 =  2.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx____3724_65_0 =  1.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx____3724_65_0 =  1.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____3724_65_0 =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____3724_65_0 =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____3724_65_0 =  2.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx____3724_65_0 =  5.1E-03                                  ! [atm] type: Q, ref: 2530

! species:  ($E$)-2-butenoic acid
! formula:  C_4H_6O_2
! trivial:  {\it trans}-crotonic acid
! casrn:    107-93-7
! inchikey: LDHQCZJRKDOVOX-NSCUHMNNSA-N
Hvpx_____107_93_7 =  1.3E-02                                  ! [atm] type: V, ref: 3088

! species:  ($Z$)-2-butenoic acid
! formula:  C_4H_6O_2
! trivial:  isocrotonic acid
! casrn:    503-64-0
! inchikey: LDHQCZJRKDOVOX-IHWYPQMZSA-N
Hvpx_____503_64_0 =  3.7E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____503_64_0 =  1.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____503_64_0 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____503_64_0 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____503_64_0 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____503_64_0 =  2.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____503_64_0 =  5.1E-03                                  ! [atm] type: Q, ref: 2530

! species:  2-methyl-2-propenoic acid
! formula:  C_4H_6O_2
! trivial:  methacrylic acid
! casrn:    79-41-4
! inchikey: CERQOIWHTDAKMF-UHFFFAOYSA-N
Hvpx______79_41_4 =  2.2E-02                                  ! [atm] type: M, ref: 1063
Hvpx______79_41_4 =  5.3E-01                                  ! [atm] type: V, ref: 2613
Hvpx______79_41_4 =  6.0E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______79_41_4 =  1.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______79_41_4 =  2.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_41_4 =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_41_4 =  6.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_41_4 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_41_4 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_41_4 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_41_4 =  2.9E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______79_41_4 =  3.9E-03                                  ! [atm] type: Q, ref: 2530
Hvpx______79_41_4 =  2.1E-02                                  ! [atm] type: ?, ref: 3586

! species:  methacrylic acid epoxide
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CSEUSVYSDPXJAP-UHFFFAOYSA-N
Hvpx_CSEUSVYSDPXJAP_UHFFFAOYSA_N =  4.6E-04                                  ! [atm] type: Q, ref: 3583

! species:  benzenecarboxylic acid
! formula:  C_6H_5COOH
! trivial:  benzoic acid
! casrn:    65-85-0
! inchikey: WPYMKLBDIGXBTP-UHFFFAOYSA-N
Hvpx______65_85_0 =  1.9E-03                                  ! [atm] type: M, ref: 2566
Hvpx______65_85_0 =  2.1E-03                                  ! [atm] type: V, ref: 3586
Hvpx______65_85_0 =  2.2E-03                                  ! [atm] type: V, ref: 2613
Hvpx______65_85_0 =  3.9E-03                                  ! [atm] type: V, ref: 477
Hvpx______65_85_0 =  2.6E-01                                  ! [atm] type: V, ref: 636
Hvpx______65_85_0 =  3.1E-03                                  ! [atm] type: V, ref: 1145
Hvpx______65_85_0 =  3.9E-03 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______65_85_0 =  3.9E-03                                  ! [atm] type: X, ref: howard89
Hvpx______65_85_0 =  1.8E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______65_85_0 =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______65_85_0 =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______65_85_0 =  1.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______65_85_0 =  4.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______65_85_0 =  3.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______65_85_0 =  5.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______65_85_0 =  2.3E-03                                  ! [atm] type: Q, ref: 2521
Hvpx______65_85_0 =  6.0E-03                                  ! [atm] type: Q, ref: 1145
Hvpx______65_85_0 =  3.7E-04                                  ! [atm] type: ?, ref: 3549
Hvpx______65_85_0 =  2.3E-03                                  ! [atm] type: ?, ref: 789

! species:  sorbic acid
! formula:  C_6H_8O_2
! trivial:  
! casrn:    110-44-1
! inchikey: WSWCOQWTEOXDQX-MQQKCMAXSA-N
Hvpx_____110_44_1 =  1.7E-02                                  ! [atm] type: Q, ref: 3627
Hvpx_____110_44_1 =  2.8E-03                                  ! [atm] type: Q, ref: 3088

! species:  $D$(-)-isoascorbic acid
! formula:  C_6H_8O_6
! trivial:  erythorbic acid
! casrn:    89-65-6
! inchikey: CIWBSHSKHKDKBQ-DUZGATOHSA-N
Hvpx______89_65_6 =  2.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  shikimic acid
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    138-59-0
! inchikey: JXOHGGNKMLTUBP-UHFFFAOYSA-N
Hvpx_____138_59_0 =  1.5E-09                                  ! [atm] type: Q, ref: 3088

! species:  4-hydroxybenzoic acid
! formula:  C_7H_6O_3
! trivial:  
! casrn:    99-96-7
! inchikey: FJKROLUGYXJWQN-UHFFFAOYSA-N
Hvpx______99_96_7 =  3.9E-07                                  ! [atm] type: V, ref: 3586
Hvpx______99_96_7 =  4.0E-07                                  ! [atm] type: V, ref: 3088
Hvpx______99_96_7 =  2.0E-07                                  ! [atm] type: Q, ref: 3586

! species:  3,4,5-trihydroxybenzoic acid
! formula:  C_7H_6O_5
! trivial:  gallic acid
! casrn:    149-91-7
! inchikey: LNTHITQWFMADLM-UHFFFAOYSA-N
Hvpx_____149_91_7 =  4.7E-15                                  ! [atm] type: Q, ref: 3088

! species:  2-methylbenzoic acid
! formula:  C_8H_8O_2
! trivial:  $o$-toluic acid
! casrn:    118-90-1
! inchikey: ZWLPBLYKEWSWPD-UHFFFAOYSA-N
Hvpx_____118_90_1 =  5.6E-02                                  ! [atm] type: Q, ref: 3627
Hvpx_____118_90_1 =  2.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____118_90_1 =  6.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____118_90_1 =  5.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____118_90_1 =  6.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____118_90_1 =  1.7E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____118_90_1 =  5.5E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____118_90_1 =  5.1E-03                                  ! [atm] type: Q, ref: 2995

! species:  3-methylbenzoic acid
! formula:  C_8H_8O_2
! trivial:  $m$-toluic acid
! casrn:    99-04-7
! inchikey: GPSDUZXPYCFOSQ-UHFFFAOYSA-N
Hvpx______99_04_7 =  8.3E-02                                  ! [atm] type: V, ref: 2613
Hvpx______99_04_7 =  3.8E+00                                  ! [atm] type: V, ref: 636
Hvpx______99_04_7 =  1.4E-02                                  ! [atm] type: Q, ref: 3627
Hvpx______99_04_7 =  2.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______99_04_7 =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______99_04_7 =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______99_04_7 =  6.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______99_04_7 =  4.4E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______99_04_7 =  1.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______99_04_7 =  5.1E-03                                  ! [atm] type: Q, ref: 2995

! species:  4-methylbenzoic acid
! formula:  C_8H_8O_2
! trivial:  $p$-toluic acid
! casrn:    99-94-5
! inchikey: LPNBBFKOUUSUDB-UHFFFAOYSA-N
Hvpx______99_94_5 =  2.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______99_94_5 =  1.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______99_94_5 =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______99_94_5 =  6.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______99_94_5 =  4.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______99_94_5 =  6.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______99_94_5 =  5.1E-03                                  ! [atm] type: Q, ref: 2995

! species:  2-hydroxy-benzoic acid
! formula:  C_7H_6O_3
! trivial:  salicylic acid
! casrn:    69-72-7
! inchikey: YGSDEFSMJLZEOE-UHFFFAOYSA-N
Hvpx______69_72_7 =  4.1E-04                                  ! [atm] type: V, ref: 3586
Hvpx______69_72_7 =  6.8E-04                                  ! [atm] type: V, ref: 2613
Hvpx______69_72_7 =  7.9E-04                                  ! [atm] type: V, ref: 636
Hvpx______69_72_7 =  3.0E-01                                  ! [atm] type: V, ref: 636
Hvpx______69_72_7 =  6.1E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______69_72_7 =  3.7E-04                                  ! [atm] type: Q, ref: 3586
Hvpx______69_72_7 =  3.5E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______69_72_7 =  1.1E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______69_72_7 =  8.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______69_72_7 =  6.1E-03                                  ! [atm] type: Q, ref: 3579

! species:  benzeneethanoic acid
! formula:  C_8H_8O_2
! trivial:  phenylacetic acid
! casrn:    103-82-2
! inchikey: WLJVXDMOQOGPHL-UHFFFAOYSA-N
Hvpx_____103_82_2 =  2.3E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____103_82_2 =  3.7E-03                                  ! [atm] type: V, ref: 2613
Hvpx_____103_82_2 =  3.1E-03                                  ! [atm] type: V, ref: 636
Hvpx_____103_82_2 =  3.9E-02                                  ! [atm] type: V, ref: 636
Hvpx_____103_82_2 =  1.6E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____103_82_2 =  1.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____103_82_2 =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____103_82_2 =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____103_82_2 =  4.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____103_82_2 =  4.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____103_82_2 =  2.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____103_82_2 =  5.5E-04                                  ! [atm] type: Q, ref: 2521
Hvpx_____103_82_2 =  1.7E-03                                  ! [atm] type: Q, ref: 2530
Hvpx_____103_82_2 =  2.2E-03                                  ! [atm] type: Q, ref: 2535
Hvpx_____103_82_2 =  1.1E-02                                  ! [atm] type: Q, ref: 3764

! species:  phthalic anhydride
! formula:  C_8H_4O_3
! trivial:  
! casrn:    85-44-9
! inchikey: LGRFSURHDFAFJT-UHFFFAOYSA-N
Hvpx______85_44_9 =  9.0E-04                                  ! [atm] type: V, ref: 3586
Hvpx______85_44_9 =  3.4E-04                                  ! [atm] type: V, ref: 477
Hvpx______85_44_9 =  4.4E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______85_44_9 =  1.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______85_44_9 =  4.6E-02                                  ! [atm] type: Q, ref: 3579

! species:  1,2-benzenedicarboxylic acid
! formula:  C_8H_6O_4
! trivial:  phthalic acid
! casrn:    88-99-3
! inchikey: XNGIFLGASWRNHJ-UHFFFAOYSA-N
Hvpx______88_99_3 =  1.1E-06                                  ! [atm] type: V, ref: 3586
Hvpx______88_99_3 =  1.1E-06                                  ! [atm] type: V, ref: 3088
Hvpx______88_99_3 =  6.7E-08                                  ! [atm] type: Q, ref: 3586

! species:  terephthalic acid
! formula:  C_8H_6O_4
! trivial:  
! casrn:    100-21-0
! inchikey: KKEYFWRCBNTPAC-UHFFFAOYSA-N
Hvpx_____100_21_0 =  2.2E-08                                  ! [atm] type: Q, ref: 3088
Hvpx_____100_21_0 =  1.1E-10                                  ! [atm] type: Q, ref: 3406

! species:  isophthalic acid
! formula:  C_8H_6O_4
! trivial:  
! casrn:    121-91-5
! inchikey: QQVIHTHCMHWDBS-UHFFFAOYSA-N
Hvpx_____121_91_5 =  1.4E-10                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____121_91_5 =  7.4E-06                                  ! [atm] type: Q, ref: 3627
Hvpx_____121_91_5 =  1.2E-07                                  ! [atm] type: Q, ref: 3088
Hvpx_____121_91_5 =  7.7E-10                                  ! [atm] type: Q, ref: 3406
Hvpx_____121_91_5 =  1.5E-10                                  ! [atm] type: Q, ref: 3579

! species:  dehydroacetic acid
! formula:  C_8H_8O_4
! trivial:  
! casrn:    520-45-6
! inchikey: PGRHXDWITVMQBC-UHFFFAOYSA-N
Hvpx_____520_45_6 =  1.9E-02                                  ! [atm] type: V, ref: 3088

! species:  2-methoxybenzoic acid
! formula:  C_8H_8O_3
! trivial:  
! casrn:    579-75-9
! inchikey: ILUJQPXNXACGAN-UHFFFAOYSA-N
Hvpx_____579_75_9 =  2.1E-04                                  ! [atm] type: Q, ref: 3627

! species:  4-methoxybenzoic acid
! formula:  C_8H_8O_3
! trivial:  
! casrn:    100-09-4
! inchikey: ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Hvpx_____100_09_4 =  3.0E-04                                  ! [atm] type: Q, ref: 3627

! species:  caffeic acid
! formula:  C_9H_8O_4
! trivial:  
! casrn:    331-39-5
! inchikey: QAIPRVGONGVQAS-DUXPYHPUSA-N
Hvpx_____331_39_5 =  7.7E-12                                  ! [atm] type: Q, ref: 3088

! species:  4-methylphthalic anhydride
! formula:  C_9H_6O_3
! trivial:  
! casrn:    19438-61-0
! inchikey: ZOXBWJMCXHTKNU-UHFFFAOYSA-N
Hvpx___19438_61_0 =  3.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___19438_61_0 =  8.5E-06                                  ! [atm] type: Q, ref: 2995
Hvpx___19438_61_0 =  1.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___19438_61_0 =  1.5E-02                                  ! [atm] type: Q, ref: 2995

! species:  3-phenyl-2-propenoic acid
! formula:  C_9H_8O_2
! trivial:  cinnamic acid
! casrn:    621-82-9
! inchikey: WBYWAXJHAXSJNI-UHFFFAOYSA-N
Hvpx_____621_82_9 =  9.5E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____621_82_9 =  1.3E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____621_82_9 =  5.5E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____621_82_9 =  3.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____621_82_9 =  7.0E-04                                  ! [atm] type: Q, ref: 2546

! species:  {\it trans}-cinnamic acid
! formula:  C_9H_8O_2
! trivial:  
! casrn:    140-10-3
! inchikey: WBYWAXJHAXSJNI-VOTSOKGWSA-N
Hvpx_____140_10_3 =  2.0E-12                                  ! [atm] type: Q, ref: 3627

! species:  $p$-coumaric acid
! formula:  C_9H_8O_3
! trivial:  
! casrn:    501-98-4
! inchikey: NGSWKAQJJWESNS-ZZXKWVIFSA-N
Hvpx_____501_98_4 =  7.6E-07                                  ! [atm] type: Q, ref: 3627

! species:  3,4-dimethoxybenzoic acid
! formula:  C_9H_{10}O_4
! trivial:  veratric acid
! casrn:    93-07-2
! inchikey: DAUAQNGYDSHRET-UHFFFAOYSA-N
Hvpx______93_07_2 =  5.0E-06                                  ! [atm] type: Q, ref: 3627

! species:  3,4,5-trimethoxybenzoic acid
! formula:  C_{10}H_{12}O_5
! trivial:  eudesmic acid
! casrn:    118-41-2
! inchikey: SJSOFNCYXJUNBT-UHFFFAOYSA-N
Hvpx_____118_41_2 =  7.4E-07                                  ! [atm] type: Q, ref: 3627

! species:  1-naphthaleneacetic acid
! formula:  C_{12}H_{10}O_2
! trivial:  
! casrn:    86-87-3
! inchikey: PRPINYUDVPFIRX-UHFFFAOYSA-N
Hvpx______86_87_3 =  1.7E-03                                  ! [atm] type: ?, ref: 3549
Hvpx______86_87_3 =  6.9E-05                                  ! [atm] type: ?, ref: 3549

! species:  2-naphthoxyacetic acid
! formula:  C_{12}H_{10}O_3
! trivial:  
! casrn:    120-23-0
! inchikey: RZCJYMOBWVJQGV-UHFFFAOYSA-N
Hvpx_____120_23_0 =  1.6E-06                                  ! [atm] type: ?, ref: 3766

! species:  $p$-{\it tert}-butylbenzoic acid
! formula:  C_{11}H_{14}O_2
! trivial:  
! casrn:    98-73-7
! inchikey: KDVYCTOWXSLNNI-UHFFFAOYSA-N
Hvpx______98_73_7 =  1.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_73_7 =  1.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_73_7 =  1.5E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______98_73_7 =  1.3E-02                                  ! [atm] type: Q, ref: 2995

! species:  trinexapac
! formula:  C_{11}H_{12}O_5
! trivial:  
! casrn:    104273-73-6
! inchikey: DFFWZNDCNBOKDI-UHFFFAOYSA-N
Hvpx__104273_73_6 =  1.4E-07                                  ! [atm] type: V, ref: 3586
Hvpx__104273_73_6 =  1.3E-09                                  ! [atm] type: Q, ref: 3586

! species:  benzoic acid, anhydride
! formula:  C_{14}H_{10}O_3
! trivial:  
! casrn:    93-97-0
! inchikey: CHIHQLCVLOXUJW-UHFFFAOYSA-N
Hvpx______93_97_0 =  7.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______93_97_0 =  1.5E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______93_97_0 =  8.3E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______93_97_0 =  8.5E-04                                  ! [atm] type: Q, ref: 2995

! species:  pyromellitic acid
! formula:  C_{10}H_6O_8
! trivial:  
! casrn:    89-05-4
! inchikey: CYIDZMCFTVVTJO-UHFFFAOYSA-N
Hvpx______89_05_4 =  3.5E-14                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______89_05_4 =  1.8E-14                                  ! [atm] type: Q, ref: 3406
Hvpx______89_05_4 =  3.4E-14                                  ! [atm] type: Q, ref: 3579

! species:  pyromellitic dianhydride
! formula:  C_{10}H_2O_6
! trivial:  
! casrn:    89-32-7
! inchikey: ANSXAPJVJOKRDJ-UHFFFAOYSA-N
Hvpx______89_32_7 =  4.2E-04                                  ! [atm] type: Q, ref: 3088
Hvpx______89_32_7 =  4.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______89_32_7 =  3.9E-12                                  ! [atm] type: Q, ref: 2995
Hvpx______89_32_7 =  1.1E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______89_32_7 =  5.6E-07                                  ! [atm] type: Q, ref: 2995

! species:  naproxen
! formula:  C_{14}H_{14}O_3
! trivial:  
! casrn:    22204-53-1
! inchikey: CMWTZPSULFXXJA-VIFPVBQESA-N
Hvpx___22204_53_1 =  2.1E-06                                  ! [atm] type: Q, ref: 3627

! species:  ($Z$,$Z$)-9,12-octadecadienoic acid
! formula:  C_{18}H_{32}O_2
! trivial:  linoleic acid
! casrn:    60-33-3
! inchikey: OYHQOLUKZRVURQ-HZJYTTRNSA-N
Hvpx______60_33_3 =  1.1E-02                                  ! [atm] type: V, ref: 3088

! species:  rosmarinic acid
! formula:  C_{18}H_{16}O_8
! trivial:  
! casrn:    537-15-5
! inchikey: DOUMFZQKYFQNTF-WUTVXBCWSA-N
Hvpx_____537_15_5 =  1.5E-22                                  ! [atm] type: Q, ref: 3088

! species:  abietic acid
! formula:  C_{20}H_{30}O_2
! trivial:  
! casrn:    514-10-3
! inchikey: RSWGJHLUYNHPMX-ONCXSQPRSA-N
Hvpx_____514_10_3 =  3.5E-06                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____514_10_3 =  3.3E-06                                  ! [atm] type: Q, ref: 3579

! species:  ethanedioic acid
! formula:  HOOCCOOH
! trivial:  oxalic acid
! casrn:    144-62-7
! inchikey: MUBZPKHOEPUJKR-UHFFFAOYSA-N
Hvpx_____144_62_7 =  8.9E-08                                  ! [atm] type: L, ref: 3500
Hvpx_____144_62_7 =  8.9E-08                                  ! [atm] type: L, ref: 3245
Hvpx_____144_62_7 =  8.9E-08                                  ! [atm] type: V, ref: 3022
Hvpx_____144_62_7 =  7.7E-08 * EXP(  -9800.*(1./T-1./298.15)) ! [atm] type: V, ref: 1925
Hvpx_____144_62_7 =  1.7E-05 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2231
Hvpx_____144_62_7 =  1.3E-06                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____144_62_7 =  7.9E-06                                  ! [atm] type: X, ref: gaffney84
Hvpx_____144_62_7 =  3.4E-05                                  ! [atm] type: Q, ref: 3730
Hvpx_____144_62_7 =  3.3E-04                                  ! [atm] type: Q, ref: 3586
Hvpx_____144_62_7 =  1.5E-08                                  ! [atm] type: Q, ref: 3406
Hvpx_____144_62_7 =  1.1E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____144_62_7 =  2.8E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____144_62_7 =  1.4E-06                                  ! [atm] type: Q, ref: 2546
Hvpx_____144_62_7 =  1.3E-06                                  ! [atm] type: Q, ref: 3579
Hvpx_____144_62_7 =  2.3E-04                                  ! [atm] type: Q, ref: 2521
Hvpx_____144_62_7 =  2.4E-06                                  ! [atm] type: Q, ref: 2530
Hvpx_____144_62_7 =  1.3E-06                                  ! [atm] type: Q, ref: 1145
Hvpx_____144_62_7 =  1.1E-07                                  ! [atm] type: E, ref: 588
Hvpx_____144_62_7 =  7.9E-06                                  ! [atm] type: ?, ref: 3586

! species:  propanedioic acid
! formula:  HOOCCH_2COOH
! trivial:  malonic acid
! casrn:    141-82-2
! inchikey: OFOBLEOULBTSOW-UHFFFAOYSA-N
Hvpx_____141_82_2 =  2.3E-09                                  ! [atm] type: L, ref: 3500
Hvpx_____141_82_2 =  2.3E-09                                  ! [atm] type: L, ref: 3245
Hvpx_____141_82_2 =  1.5E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____141_82_2 =  1.4E-09 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3022
Hvpx_____141_82_2 =  5.9E-09 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3022
Hvpx_____141_82_2 =  2.6E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____141_82_2 =  2.2E-06                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_82_2 =  8.8E-08                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_82_2 =  2.2E-07                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_82_2 =  4.7E-06                                  ! [atm] type: Q, ref: 2530
Hvpx_____141_82_2 =  1.4E-07                                  ! [atm] type: E, ref: 588

! species:  butanedioic acid
! formula:  HOOC(CH_2)_2COOH
! trivial:  succinic acid
! casrn:    110-15-6
! inchikey: KDYFGRWQOYBRFD-UHFFFAOYSA-N
Hvpx_____110_15_6 =  1.8E-08                                  ! [atm] type: L, ref: 3500
Hvpx_____110_15_6 =  1.8E-08                                  ! [atm] type: L, ref: 3245
Hvpx_____110_15_6 =  2.0E-08                                  ! [atm] type: V, ref: 3586
Hvpx_____110_15_6 =  2.0E-08                                  ! [atm] type: V, ref: 3088
Hvpx_____110_15_6 =  1.3E-08 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3022
Hvpx_____110_15_6 =  2.8E-08 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3022
Hvpx_____110_15_6 =  7.6E-07                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_15_6 =  8.4E-06                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_15_6 =  4.0E-08                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_15_6 =  1.1E-07                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_15_6 =  2.2E-07                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_15_6 =  2.8E-07                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_15_6 =  1.7E-06                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_15_6 =  1.8E-07                                  ! [atm] type: E, ref: 588

! species:  pentanedioic acid
! formula:  HOOC(CH_2)_3COOH
! trivial:  glutaric acid
! casrn:    110-94-1
! inchikey: JFCQEDHGNNZCLN-UHFFFAOYSA-N
Hvpx_____110_94_1 =  1.5E-08                                  ! [atm] type: L, ref: 3500
Hvpx_____110_94_1 =  1.5E-08                                  ! [atm] type: L, ref: 3245
Hvpx_____110_94_1 =  2.9E-08                                  ! [atm] type: M, ref: 1658
Hvpx_____110_94_1 =  1.1E-08 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3022
Hvpx_____110_94_1 =  2.3E-08 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3022
Hvpx_____110_94_1 =  5.5E-06                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_94_1 =  1.1E-07                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_94_1 =  1.1E-07                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_94_1 =  1.4E-08                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_94_1 =  4.4E-07                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_94_1 =  1.5E-06                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_94_1 =  2.5E-08                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_94_1 =  2.3E-06                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_94_1 =  2.8E-07                                  ! [atm] type: E, ref: 588

! species:  3-hydroxy glutaric acid
! formula:  C_5H_8O_5
! trivial:  
! casrn:    638-18-6
! inchikey: ZQHYXNSQOIDNTL-UHFFFAOYSA-N
Hvpx_____638_18_6 =  8.2E-10                                  ! [atm] type: Q, ref: 3413

! species:  hexanedioic acid
! formula:  HOOC(CH_2)_4COOH
! trivial:  adipic acid
! casrn:    124-04-9
! inchikey: WNLRTRBMVRJNCN-UHFFFAOYSA-N
Hvpx_____124_04_9 =  8.3E-09                                  ! [atm] type: L, ref: 3500
Hvpx_____124_04_9 =  8.3E-09                                  ! [atm] type: L, ref: 3245
Hvpx_____124_04_9 =  2.6E-07                                  ! [atm] type: V, ref: 3586
Hvpx_____124_04_9 =  2.6E-07                                  ! [atm] type: V, ref: 3088
Hvpx_____124_04_9 =  8.3E-09 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3022
Hvpx_____124_04_9 =  5.2E-02                                  ! [atm] type: V, ref: 477
Hvpx_____124_04_9 =  3.0E-06 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____124_04_9 =  1.7E-07                                  ! [atm] type: Q, ref: 3586
Hvpx_____124_04_9 =  2.5E-07                                  ! [atm] type: Q, ref: 3406
Hvpx_____124_04_9 =  1.4E-07                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_04_9 =  1.1E-08                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_04_9 =  5.5E-07                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_04_9 =  2.2E-08                                  ! [atm] type: Q, ref: 2521
Hvpx_____124_04_9 =  2.2E-06                                  ! [atm] type: Q, ref: 2530
Hvpx_____124_04_9 =  2.8E-07                                  ! [atm] type: E, ref: 588

! species:  tricarballylic acid
! formula:  C_6H_8O_6
! trivial:  
! casrn:    99-14-9
! inchikey: KQTIIICEAUMSDG-UHFFFAOYSA-N
Hvpx______99_14_9 =  2.9E-10                                  ! [atm] type: Q, ref: 3413

! species:  heptanedioic acid
! formula:  C_7H_{12}O_4
! trivial:  pimelic acid
! casrn:    111-16-0
! inchikey: WLJVNTCWHIRURA-UHFFFAOYSA-N
Hvpx_____111_16_0 =  2.1E-08                                  ! [atm] type: V, ref: 3586
Hvpx_____111_16_0 =  6.7E-09 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3022
Hvpx_____111_16_0 =  1.3E-07                                  ! [atm] type: Q, ref: 3586

! species:  3-acetyl pentanedioic acid
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    149474-71-5
! inchikey: TZPGYCKKEMNHRS-UHFFFAOYSA-N
Hvpx__149474_71_5 =  1.2E-10                                  ! [atm] type: Q, ref: 3413

! species:  octanedioic acid
! formula:  C_8H_{14}O_4
! trivial:  suberic acid
! casrn:    505-48-6
! inchikey: TYFQFVWCELRYAO-UHFFFAOYSA-N
Hvpx_____505_48_6 =  3.1E-07                                  ! [atm] type: V, ref: 3586
Hvpx_____505_48_6 =  7.1E-09 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3022
Hvpx_____505_48_6 =  1.1E-07                                  ! [atm] type: Q, ref: 3586

! species:  3-methyl-1,2,3-butanetricarboxylic acid
! formula:  C_8H_{12}O_6
! trivial:  
! casrn:    77370-41-3
! inchikey: VMWJGTKDJFMTFZ-UHFFFAOYSA-N
Hvpx___77370_41_3 =  2.9E-09                                  ! [atm] type: Q, ref: 3413

! species:  nonanedioic acid
! formula:  C_9H_{16}O_4
! trivial:  azelaic acid
! casrn:    123-99-9
! inchikey: BDJRBEYXGGNYIS-UHFFFAOYSA-N
Hvpx_____123_99_9 =  6.1E-09 * EXP( -17000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3022
Hvpx_____123_99_9 =  1.5E-07                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_99_9 =  2.8E-06                                  ! [atm] type: Q, ref: 3406
Hvpx_____123_99_9 =  5.9E-07                                  ! [atm] type: Q, ref: 3579

! species:  decanedioic acid
! formula:  C_{10}H_{18}O_4
! trivial:  sebacic acid
! casrn:    111-20-6
! inchikey: CXMXRPHRNRROMY-UHFFFAOYSA-N
Hvpx_____111_20_6 =  7.2E-09                                  ! [atm] type: V, ref: 3022
Hvpx_____111_20_6 =  3.2E-07                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_20_6 =  3.5E-06                                  ! [atm] type: Q, ref: 3406
Hvpx_____111_20_6 =  3.8E-07                                  ! [atm] type: Q, ref: 3579

! species:  dodecanedioic acid
! formula:  C_{12}H_{22}O_4
! trivial:  
! casrn:    693-23-2
! inchikey: TVIDDXQYHWJXFK-UHFFFAOYSA-N
Hvpx_____693_23_2 =  5.5E-07                                  ! [atm] type: ?, ref: 3766

! species:  {\it cis}-butenedioic acid
! formula:  HOOC(CH)_2COOH
! trivial:  maleic acid
! casrn:    110-16-7
! inchikey: VZCYOOQTPOCHFL-UPHRSURJSA-N
Hvpx_____110_16_7 =  3.8E-09                                  ! [atm] type: V, ref: 477
Hvpx_____110_16_7 =  4.3E-07                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_16_7 =  8.0E-08                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_16_7 =  4.3E-07                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_16_7 =  5.5E-08                                  ! [atm] type: E, ref: 588

! species:  citraconic acid
! formula:  C_5H_6O_4
! trivial:  
! casrn:    498-23-7
! inchikey: HNEGQIOMVPPMNR-IHWYPQMZSA-N
Hvpx_____498_23_7 =  1.5E-08                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____498_23_7 =  1.3E-07                                  ! [atm] type: Q, ref: 3406
Hvpx_____498_23_7 =  1.5E-08                                  ! [atm] type: Q, ref: 3579

! species:  itaconic acid
! formula:  C_5H_6O_4
! trivial:  
! casrn:    97-65-4
! inchikey: LVHBHZANLOWSRM-UHFFFAOYSA-N
Hvpx______97_65_4 =  4.3E-07                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______97_65_4 =  4.1E-08                                  ! [atm] type: Q, ref: 3406
Hvpx______97_65_4 =  4.2E-07                                  ! [atm] type: Q, ref: 3579

! species:  1,4-cyclohexanedicarboxylic acid
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    619-82-9
! inchikey: PXGZQGDTEZPERC-UHFFFAOYSA-N
Hvpx_____619_82_9 =  5.0E-07                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____619_82_9 =  2.4E-07                                  ! [atm] type: Q, ref: 3406
Hvpx_____619_82_9 =  4.9E-07                                  ! [atm] type: Q, ref: 3579

! species:  pinic acid
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    473-73-4
! inchikey: LEVONNIFUFSRKZ-UHFFFAOYSA-N
Hvpx_____473_73_4 =  4.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_____473_73_4 =  7.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_____473_73_4 =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_____473_73_4 =  5.4E-08                                  ! [atm] type: Q, ref: 3413

! species:  methanoic peroxyacid
! formula:  HCOOOH
! trivial:  peroxyformic acid
! casrn:    107-32-4
! inchikey: SCKXCAADGDQQCS-UHFFFAOYSA-N
Hvpx_____107_32_4 =  1.9E-02                                  ! [atm] type: M, ref: 1200
Hvpx_____107_32_4 =  1.1E-01                                  ! [atm] type: Q, ref: 3088

! species:  ethanoic peroxyacid
! formula:  CH_3COOOH
! trivial:  peroxyacetic acid
! casrn:    79-21-0
! inchikey: KFSLWBXXFJQRDL-UHFFFAOYSA-N
Hvpx______79_21_0 =  6.6E-02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_21_0 =  6.6E-02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______79_21_0 =  6.6E-02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______79_21_0 =  7.4E-02 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______79_21_0 =  2.3E-02                                  ! [atm] type: M, ref: 1200
Hvpx______79_21_0 =  6.6E-02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 516
Hvpx______79_21_0 =  8.4E-02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 311
Hvpx______79_21_0 =  5.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______79_21_0 =  5.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_21_0 =  4.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______79_21_0 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_21_0 =  2.2E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______79_21_0 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_21_0 =  3.1E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______79_21_0 =  5.8E-03                                  ! [atm] type: Q, ref: 2530

! species:  MCM:M2C43CO2H
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: XFOASZQZPWEJAA-UHFFFAOYSA-N
Hvpx_XFOASZQZPWEJAA_UHFFFAOYSA_N =  6.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_XFOASZQZPWEJAA_UHFFFAOYSA_N =  3.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_XFOASZQZPWEJAA_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M33C3CO2H
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VUAXHMVRKOTJKP-UHFFFAOYSA-N
Hvpx_VUAXHMVRKOTJKP_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VUAXHMVRKOTJKP_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VUAXHMVRKOTJKP_UHFFFAOYSA_N =  5.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C721OOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZLURETBBUKLNQX-UHFFFAOYSA-N
Hvpx_ZLURETBBUKLNQX_UHFFFAOYSA_N =  4.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLURETBBUKLNQX_UHFFFAOYSA_N =  2.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLURETBBUKLNQX_UHFFFAOYSA_N =  8.8E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C721CO3H
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HYEGRGIGVZWWFM-UHFFFAOYSA-N
Hvpx_HYEGRGIGVZWWFM_UHFFFAOYSA_N =  3.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_HYEGRGIGVZWWFM_UHFFFAOYSA_N =  9.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_HYEGRGIGVZWWFM_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C811OOH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RYDSGVCXHLRTGT-UHFFFAOYSA-N
Hvpx_RYDSGVCXHLRTGT_UHFFFAOYSA_N =  5.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RYDSGVCXHLRTGT_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RYDSGVCXHLRTGT_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C823OOH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KIIRSRLFRXTUMU-UHFFFAOYSA-N
Hvpx_KIIRSRLFRXTUMU_UHFFFAOYSA_N =  6.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KIIRSRLFRXTUMU_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KIIRSRLFRXTUMU_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NORPINIC
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KLGKVMMWRDYKJM-UHFFFAOYSA-N
Hvpx_KLGKVMMWRDYKJM_UHFFFAOYSA_N =  3.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KLGKVMMWRDYKJM_UHFFFAOYSA_N =  2.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KLGKVMMWRDYKJM_UHFFFAOYSA_N =  8.6E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C811CO3H
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZVOGBTSHONFRIW-UHFFFAOYSA-N
Hvpx_ZVOGBTSHONFRIW_UHFFFAOYSA_N =  4.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZVOGBTSHONFRIW_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZVOGBTSHONFRIW_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C823CO3H
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IESQFENJEQJSTC-UHFFFAOYSA-N
Hvpx_IESQFENJEQJSTC_UHFFFAOYSA_N =  5.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_IESQFENJEQJSTC_UHFFFAOYSA_N =  3.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IESQFENJEQJSTC_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMONIC
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JUCWCJYNDRRZKR-UHFFFAOYSA-N
Hvpx_JUCWCJYNDRRZKR_UHFFFAOYSA_N =  4.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JUCWCJYNDRRZKR_UHFFFAOYSA_N =  8.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JUCWCJYNDRRZKR_UHFFFAOYSA_N =  3.1E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C137OOH
! formula:  C_{13}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RDYPCLKIKFUKHY-UHFFFAOYSA-N
Hvpx_RDYPCLKIKFUKHY_UHFFFAOYSA_N =  6.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RDYPCLKIKFUKHY_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RDYPCLKIKFUKHY_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C137CO2H
! formula:  C_{14}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IYTMEDMFNUDFPT-UHFFFAOYSA-N
Hvpx_IYTMEDMFNUDFPT_UHFFFAOYSA_N =  4.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IYTMEDMFNUDFPT_UHFFFAOYSA_N =  3.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_IYTMEDMFNUDFPT_UHFFFAOYSA_N =  3.3E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C137CO3H
! formula:  C_{14}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WIBVBPZGNYNCKK-UHFFFAOYSA-N
Hvpx_WIBVBPZGNYNCKK_UHFFFAOYSA_N =  5.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WIBVBPZGNYNCKK_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WIBVBPZGNYNCKK_UHFFFAOYSA_N =  3.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123BCO2H
! formula:  C_9H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RIZUCYSQUWMQLX-UHFFFAOYSA-N
Hvpx_RIZUCYSQUWMQLX_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RIZUCYSQUWMQLX_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RIZUCYSQUWMQLX_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124BCO2H
! formula:  C_9H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OPVAJFQBSDUNQA-UHFFFAOYSA-N
Hvpx_OPVAJFQBSDUNQA_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OPVAJFQBSDUNQA_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OPVAJFQBSDUNQA_UHFFFAOYSA_N =  9.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TMBCO2H
! formula:  C_9H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: UMVOQQDNEYOJOK-UHFFFAOYSA-N
Hvpx_UMVOQQDNEYOJOK_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UMVOQQDNEYOJOK_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UMVOQQDNEYOJOK_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C2OHOCO2H
! formula:  C_3H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RBNPOMFGQQGHHO-UHFFFAOYSA-N
Hvpx_RBNPOMFGQQGHHO_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RBNPOMFGQQGHHO_UHFFFAOYSA_N =  2.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RBNPOMFGQQGHHO_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOC2H4CO2H
! formula:  C_3H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ALRHLSYJTWAHJZ-UHFFFAOYSA-N
Hvpx_ALRHLSYJTWAHJZ_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ALRHLSYJTWAHJZ_UHFFFAOYSA_N =  5.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ALRHLSYJTWAHJZ_UHFFFAOYSA_N =  7.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HC3CO2H
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RMQJECWPWQIIPW-UHFFFAOYSA-N
Hvpx_RMQJECWPWQIIPW_UHFFFAOYSA_N =  5.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RMQJECWPWQIIPW_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RMQJECWPWQIIPW_UHFFFAOYSA_N =  3.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMACO2H
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AAMTXHVZOHPPQR-UHFFFAOYSA-N
Hvpx_AAMTXHVZOHPPQR_UHFFFAOYSA_N =  8.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AAMTXHVZOHPPQR_UHFFFAOYSA_N =  6.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AAMTXHVZOHPPQR_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C3CO2H
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WHBMMWSBFZVSSR-UHFFFAOYSA-N
Hvpx_WHBMMWSBFZVSSR_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WHBMMWSBFZVSSR_UHFFFAOYSA_N =  7.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WHBMMWSBFZVSSR_UHFFFAOYSA_N =  8.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOC3H6CO2H
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SJZRECIVHVDYJC-UHFFFAOYSA-N
Hvpx_SJZRECIVHVDYJC_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SJZRECIVHVDYJC_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SJZRECIVHVDYJC_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOIPRCO2H
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DBXBTMSZEOQQDU-UHFFFAOYSA-N
Hvpx_DBXBTMSZEOQQDU_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DBXBTMSZEOQQDU_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DBXBTMSZEOQQDU_UHFFFAOYSA_N =  7.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRHOCO2H
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BWLBGMIXKSTLSX-UHFFFAOYSA-N
Hvpx_BWLBGMIXKSTLSX_UHFFFAOYSA_N =  5.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BWLBGMIXKSTLSX_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BWLBGMIXKSTLSX_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C46CO2H
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NJMYQRVWBCSLEU-UHFFFAOYSA-N
Hvpx_NJMYQRVWBCSLEU_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NJMYQRVWBCSLEU_UHFFFAOYSA_N =  3.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NJMYQRVWBCSLEU_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HC4ACO2H
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BERUOTKXCOOJJM-UHFFFAOYSA-N
Hvpx_BERUOTKXCOOJJM_UHFFFAOYSA_N =  7.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BERUOTKXCOOJJM_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BERUOTKXCOOJJM_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HC4CCO2H
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NCQCQZXQBYAHBZ-UHFFFAOYSA-N
Hvpx_NCQCQZXQBYAHBZ_UHFFFAOYSA_N =  7.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NCQCQZXQBYAHBZ_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NCQCQZXQBYAHBZ_UHFFFAOYSA_N =  8.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM22CO2H
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RDFQSFOGKVZWKF-UHFFFAOYSA-N
Hvpx_RDFQSFOGKVZWKF_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RDFQSFOGKVZWKF_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RDFQSFOGKVZWKF_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C43CO2H
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VEXDRERIMPLZLU-UHFFFAOYSA-N
Hvpx_VEXDRERIMPLZLU_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VEXDRERIMPLZLU_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VEXDRERIMPLZLU_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C4CO2H
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FMHKPLXYWVCLME-UHFFFAOYSA-N
Hvpx_FMHKPLXYWVCLME_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FMHKPLXYWVCLME_UHFFFAOYSA_N =  6.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FMHKPLXYWVCLME_UHFFFAOYSA_N =  6.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOBUT2CO2H
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JYTYEGKJKIXWOJ-UHFFFAOYSA-N
Hvpx_JYTYEGKJKIXWOJ_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JYTYEGKJKIXWOJ_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JYTYEGKJKIXWOJ_UHFFFAOYSA_N =  7.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C518CO2H
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: COPVWTGWHHSRKU-UHFFFAOYSA-N
Hvpx_COPVWTGWHHSRKU_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_COPVWTGWHHSRKU_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_COPVWTGWHHSRKU_UHFFFAOYSA_N =  2.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M2C4CO2H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PQJUMPXLDAZULJ-UHFFFAOYSA-N
Hvpx_PQJUMPXLDAZULJ_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PQJUMPXLDAZULJ_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PQJUMPXLDAZULJ_UHFFFAOYSA_N =  1.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M3C4CO2H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BNTHHYUWQILHSA-UHFFFAOYSA-N
Hvpx_BNTHHYUWQILHSA_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BNTHHYUWQILHSA_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BNTHHYUWQILHSA_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM22C3CO2H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WLKUATLKPJGHKX-UHFFFAOYSA-N
Hvpx_WLKUATLKPJGHKX_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WLKUATLKPJGHKX_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WLKUATLKPJGHKX_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM2C43CO2H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QSMSJHRQUBQMKD-UHFFFAOYSA-N
Hvpx_QSMSJHRQUBQMKD_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QSMSJHRQUBQMKD_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QSMSJHRQUBQMKD_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM33C3CO2H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NGRPJOQCQYDOJX-UHFFFAOYSA-N
Hvpx_NGRPJOQCQYDOJX_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NGRPJOQCQYDOJX_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NGRPJOQCQYDOJX_UHFFFAOYSA_N =  8.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C54CO2H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IOXPMKQXROCYFL-UHFFFAOYSA-N
Hvpx_IOXPMKQXROCYFL_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IOXPMKQXROCYFL_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IOXPMKQXROCYFL_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C5CO2H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ABIKNKURIGPIRJ-UHFFFAOYSA-N
Hvpx_ABIKNKURIGPIRJ_UHFFFAOYSA_N =  2.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ABIKNKURIGPIRJ_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ABIKNKURIGPIRJ_UHFFFAOYSA_N =  8.8E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C622CO2H
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PHVXTLWKDLVJPT-UHFFFAOYSA-N
Hvpx_PHVXTLWKDLVJPT_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PHVXTLWKDLVJPT_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PHVXTLWKDLVJPT_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C624CO2H
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IOGKLHPXZHQWIC-UHFFFAOYSA-N
Hvpx_IOGKLHPXZHQWIC_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IOGKLHPXZHQWIC_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IOGKLHPXZHQWIC_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3M3C5CO2H
! formula:  C_7H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BHWOTLCMMUBASI-UHFFFAOYSA-N
Hvpx_BHWOTLCMMUBASI_UHFFFAOYSA_N =  5.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BHWOTLCMMUBASI_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BHWOTLCMMUBASI_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C811OH
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UVNHICQQCWWSMK-UHFFFAOYSA-N
Hvpx_UVNHICQQCWWSMK_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UVNHICQQCWWSMK_UHFFFAOYSA_N =  3.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UVNHICQQCWWSMK_UHFFFAOYSA_N =  5.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C812OH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VFUDATRQVLCLSF-UHFFFAOYSA-N
Hvpx_VFUDATRQVLCLSF_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VFUDATRQVLCLSF_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_VFUDATRQVLCLSF_UHFFFAOYSA_N =  4.6E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C812OOH
! formula:  C_8H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: TXANCYYWZQZPGK-UHFFFAOYSA-N
Hvpx_TXANCYYWZQZPGK_UHFFFAOYSA_N =  3.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_TXANCYYWZQZPGK_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_TXANCYYWZQZPGK_UHFFFAOYSA_N =  3.7E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C823OH
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HTVBHPNLYICQSI-UHFFFAOYSA-N
Hvpx_HTVBHPNLYICQSI_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HTVBHPNLYICQSI_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HTVBHPNLYICQSI_UHFFFAOYSA_N =  5.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C825OH
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GZVYHBJSBFFFII-UHFFFAOYSA-N
Hvpx_GZVYHBJSBFFFII_UHFFFAOYSA_N =  9.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GZVYHBJSBFFFII_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GZVYHBJSBFFFII_UHFFFAOYSA_N =  9.3E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C825OOH
! formula:  C_8H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XYVJCWMMBMHSFM-UHFFFAOYSA-N
Hvpx_XYVJCWMMBMHSFM_UHFFFAOYSA_N =  2.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_XYVJCWMMBMHSFM_UHFFFAOYSA_N =  7.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_XYVJCWMMBMHSFM_UHFFFAOYSA_N =  3.0E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C137OH
! formula:  C_{13}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GRQGZSRLPJOOBF-UHFFFAOYSA-N
Hvpx_GRQGZSRLPJOOBF_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GRQGZSRLPJOOBF_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GRQGZSRLPJOOBF_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C139OH
! formula:  C_{13}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RQGWJIBQKQBFEC-UHFFFAOYSA-N
Hvpx_RQGWJIBQKQBFEC_UHFFFAOYSA_N =  9.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RQGWJIBQKQBFEC_UHFFFAOYSA_N =  7.2E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_RQGWJIBQKQBFEC_UHFFFAOYSA_N =  4.0E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C139OOH
! formula:  C_{13}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MQHLLQIJDGKDCT-UHFFFAOYSA-N
Hvpx_MQHLLQIJDGKDCT_UHFFFAOYSA_N =  3.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MQHLLQIJDGKDCT_UHFFFAOYSA_N =  3.2E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_MQHLLQIJDGKDCT_UHFFFAOYSA_N =  5.6E-10                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C44OOH
! formula:  C_4H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RIVXGQNQRYOWAN-UHFFFAOYSA-N
Hvpx_RIVXGQNQRYOWAN_UHFFFAOYSA_N =  7.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RIVXGQNQRYOWAN_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RIVXGQNQRYOWAN_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MALDALCO2H
! formula:  C_4H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZOIRMVZWDRLJPI-UHFFFAOYSA-N
Hvpx_ZOIRMVZWDRLJPI_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZOIRMVZWDRLJPI_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZOIRMVZWDRLJPI_UHFFFAOYSA_N =  9.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRPAL2CO2H
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VOKUMXABRRXHAR-UHFFFAOYSA-N
Hvpx_VOKUMXABRRXHAR_UHFFFAOYSA_N =  5.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VOKUMXABRRXHAR_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VOKUMXABRRXHAR_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3MCOCO2H
! formula:  C_5H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VXAWORVMCLXEKH-UHFFFAOYSA-N
Hvpx_VXAWORVMCLXEKH_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VXAWORVMCLXEKH_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VXAWORVMCLXEKH_UHFFFAOYSA_N =  7.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO1M22CO2H
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SUMZWDXUXLTFFX-UHFFFAOYSA-N
Hvpx_SUMZWDXUXLTFFX_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SUMZWDXUXLTFFX_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SUMZWDXUXLTFFX_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC3ODBCO2H
! formula:  C_5H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QPFVAKLVWFPTSX-UHFFFAOYSA-N
Hvpx_QPFVAKLVWFPTSX_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QPFVAKLVWFPTSX_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QPFVAKLVWFPTSX_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3EODBCO2H
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XIZBOUDCWHEQCF-UHFFFAOYSA-N
Hvpx_XIZBOUDCWHEQCF_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XIZBOUDCWHEQCF_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XIZBOUDCWHEQCF_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3M2COCO2H
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HLFIROOBCUFLFC-UHFFFAOYSA-N
Hvpx_HLFIROOBCUFLFC_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HLFIROOBCUFLFC_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HLFIROOBCUFLFC_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C522CO2H
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NSMTVDIDRFOALU-UHFFFAOYSA-N
Hvpx_NSMTVDIDRFOALU_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NSMTVDIDRFOALU_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NSMTVDIDRFOALU_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:RGDCO2H
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HNXWTHGWCGDLKB-UHFFFAOYSA-N
Hvpx_HNXWTHGWCGDLKB_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HNXWTHGWCGDLKB_UHFFFAOYSA_N =  6.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HNXWTHGWCGDLKB_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C615CO2H
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BRDQYLNZHVUNQF-UHFFFAOYSA-N
Hvpx_BRDQYLNZHVUNQF_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BRDQYLNZHVUNQF_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BRDQYLNZHVUNQF_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C722OOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XJSSOLXEKAZFKL-UHFFFAOYSA-N
Hvpx_XJSSOLXEKAZFKL_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XJSSOLXEKAZFKL_UHFFFAOYSA_N =  3.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XJSSOLXEKAZFKL_UHFFFAOYSA_N =  6.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IP3ODBCO2H
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HLXOYOZOZOGAJW-UHFFFAOYSA-N
Hvpx_HLXOYOZOZOGAJW_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HLXOYOZOZOGAJW_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HLXOYOZOZOGAJW_UHFFFAOYSA_N =  4.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PC3ODBCO2H
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SHOOYBDWMZRRKO-UHFFFAOYSA-N
Hvpx_SHOOYBDWMZRRKO_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SHOOYBDWMZRRKO_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SHOOYBDWMZRRKO_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C721CHO
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MQTHUXQLMJSVGN-UHFFFAOYSA-N
Hvpx_MQTHUXQLMJSVGN_UHFFFAOYSA_N =  4.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MQTHUXQLMJSVGN_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MQTHUXQLMJSVGN_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C729CO2H
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NHNJUKWYLMFOQP-UHFFFAOYSA-N
Hvpx_NHNJUKWYLMFOQP_UHFFFAOYSA_N =  5.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NHNJUKWYLMFOQP_UHFFFAOYSA_N =  4.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NHNJUKWYLMFOQP_UHFFFAOYSA_N =  3.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C823CO
! formula:  C_8H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KUOQBJGRIDTXEZ-UHFFFAOYSA-N
Hvpx_KUOQBJGRIDTXEZ_UHFFFAOYSA_N =  5.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KUOQBJGRIDTXEZ_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KUOQBJGRIDTXEZ_UHFFFAOYSA_N =  7.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C822CO2H
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ADULCIYKWVJSFE-UHFFFAOYSA-N
Hvpx_ADULCIYKWVJSFE_UHFFFAOYSA_N =  1.2E-05 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_ADULCIYKWVJSFE_UHFFFAOYSA_N =  6.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ADULCIYKWVJSFE_UHFFFAOYSA_N =  5.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ADULCIYKWVJSFE_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C830CO2H
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NWNQYPOMHUZLML-UHFFFAOYSA-N
Hvpx_NWNQYPOMHUZLML_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NWNQYPOMHUZLML_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NWNQYPOMHUZLML_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C89CO2H
! formula:  C_9H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RFGXRYLTPBBFIG-UHFFFAOYSA-N
Hvpx_RFGXRYLTPBBFIG_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RFGXRYLTPBBFIG_UHFFFAOYSA_N =  2.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RFGXRYLTPBBFIG_UHFFFAOYSA_N =  7.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C126CO2H
! formula:  C_{13}H_{20}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FRZAETYQWIEERW-UHFFFAOYSA-N
Hvpx_FRZAETYQWIEERW_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FRZAETYQWIEERW_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FRZAETYQWIEERW_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C137CO
! formula:  C_{13}H_{20}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FQUQDHNCRLRZNB-UHFFFAOYSA-N
Hvpx_FQUQDHNCRLRZNB_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FQUQDHNCRLRZNB_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FQUQDHNCRLRZNB_UHFFFAOYSA_N =  7.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C136CO2H
! formula:  C_{14}H_{22}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MUFZWTUKICSBHZ-UHFFFAOYSA-N
Hvpx_MUFZWTUKICSBHZ_UHFFFAOYSA_N =  6.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MUFZWTUKICSBHZ_UHFFFAOYSA_N =  3.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MUFZWTUKICSBHZ_UHFFFAOYSA_N =  7.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COHM2CO2H
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DDNPKLYNPFAIEE-UHFFFAOYSA-N
Hvpx_DDNPKLYNPFAIEE_UHFFFAOYSA_N =  2.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DDNPKLYNPFAIEE_UHFFFAOYSA_N =  7.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DDNPKLYNPFAIEE_UHFFFAOYSA_N =  2.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1H4C5CO2H
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NIVGPRREFKECGM-UHFFFAOYSA-N
Hvpx_NIVGPRREFKECGM_UHFFFAOYSA_N =  3.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NIVGPRREFKECGM_UHFFFAOYSA_N =  1.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NIVGPRREFKECGM_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ECOCO2H
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: TYEYBOSBBBHJIV-UHFFFAOYSA-N
Hvpx_TYEYBOSBBBHJIV_UHFFFAOYSA_N =  7.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_TYEYBOSBBBHJIV_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_TYEYBOSBBBHJIV_UHFFFAOYSA_N =  9.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C41CO2H
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GCXJINGJZAOJHR-UHFFFAOYSA-N
Hvpx_GCXJINGJZAOJHR_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GCXJINGJZAOJHR_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GCXJINGJZAOJHR_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CO14OH
! formula:  C_5H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XGTKSWVCNVUVHG-UHFFFAOYSA-N
Hvpx_XGTKSWVCNVUVHG_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XGTKSWVCNVUVHG_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XGTKSWVCNVUVHG_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2C4CO2H
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JOOXCMJARBKPKM-UHFFFAOYSA-N
Hvpx_JOOXCMJARBKPKM_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JOOXCMJARBKPKM_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JOOXCMJARBKPKM_UHFFFAOYSA_N =  7.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3C4CO2H
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FHSUFDYFOHSYHI-UHFFFAOYSA-N
Hvpx_FHSUFDYFOHSYHI_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FHSUFDYFOHSYHI_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FHSUFDYFOHSYHI_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPGLYOXOH
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QHKABHOOEWYVLI-UHFFFAOYSA-N
Hvpx_QHKABHOOEWYVLI_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QHKABHOOEWYVLI_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_QHKABHOOEWYVLI_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PGLYOXOH
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KDVFRMMRZOCFLS-UHFFFAOYSA-N
Hvpx_KDVFRMMRZOCFLS_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KDVFRMMRZOCFLS_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KDVFRMMRZOCFLS_UHFFFAOYSA_N =  9.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C51CO2H
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NFIWUVRBASXMGK-UHFFFAOYSA-N
Hvpx_NFIWUVRBASXMGK_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NFIWUVRBASXMGK_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NFIWUVRBASXMGK_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CODBCO2H
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YUICRCSHEOZHST-UHFFFAOYSA-N
Hvpx_YUICRCSHEOZHST_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YUICRCSHEOZHST_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YUICRCSHEOZHST_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5DBCOCO2H
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LRRPKULXSOVRRZ-UHFFFAOYSA-N
Hvpx_LRRPKULXSOVRRZ_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LRRPKULXSOVRRZ_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LRRPKULXSOVRRZ_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6DCRBBOH
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VUZJJUOKMOGBDH-UHFFFAOYSA-N
Hvpx_VUZJJUOKMOGBDH_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VUZJJUOKMOGBDH_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VUZJJUOKMOGBDH_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2C54CO2H
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UZTJTTKEYGHTNM-UHFFFAOYSA-N
Hvpx_UZTJTTKEYGHTNM_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UZTJTTKEYGHTNM_UHFFFAOYSA_N =  6.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UZTJTTKEYGHTNM_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2M33CO2H
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CBZZWRQRPKSEQI-UHFFFAOYSA-N
Hvpx_CBZZWRQRPKSEQI_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CBZZWRQRPKSEQI_UHFFFAOYSA_N =  6.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CBZZWRQRPKSEQI_UHFFFAOYSA_N =  4.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3C5CO2H
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CLJBDOUIEHLLEN-UHFFFAOYSA-N
Hvpx_CLJBDOUIEHLLEN_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CLJBDOUIEHLLEN_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CLJBDOUIEHLLEN_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C732OOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ASSSOSHEUJWVOL-UHFFFAOYSA-N
Hvpx_ASSSOSHEUJWVOL_UHFFFAOYSA_N =  1.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ASSSOSHEUJWVOL_UHFFFAOYSA_N =  3.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ASSSOSHEUJWVOL_UHFFFAOYSA_N =  2.8E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7ADCCO2H
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GJIWJSZYGQVZNC-UHFFFAOYSA-N
Hvpx_GJIWJSZYGQVZNC_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GJIWJSZYGQVZNC_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GJIWJSZYGQVZNC_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7CDCCO2H
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OAGXHOMWGVMDLP-UHFFFAOYSA-N
Hvpx_OAGXHOMWGVMDLP_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OAGXHOMWGVMDLP_UHFFFAOYSA_N =  7.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OAGXHOMWGVMDLP_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7DCCO2H
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LUXOYEZTEWTGMD-UHFFFAOYSA-N
Hvpx_LUXOYEZTEWTGMD_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LUXOYEZTEWTGMD_UHFFFAOYSA_N =  6.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LUXOYEZTEWTGMD_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7DDCCO2H
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MDDQAVHYGMRQBB-UHFFFAOYSA-N
Hvpx_MDDQAVHYGMRQBB_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MDDQAVHYGMRQBB_UHFFFAOYSA_N =  6.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MDDQAVHYGMRQBB_UHFFFAOYSA_N =  3.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO25C6CO2H
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WUQQVFQGWWMQLD-UHFFFAOYSA-N
Hvpx_WUQQVFQGWWMQLD_UHFFFAOYSA_N =  2.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WUQQVFQGWWMQLD_UHFFFAOYSA_N =  2.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WUQQVFQGWWMQLD_UHFFFAOYSA_N =  3.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IC7DCCO2H
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: TZKNMZPMBZQSMV-UHFFFAOYSA-N
Hvpx_TZKNMZPMBZQSMV_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_TZKNMZPMBZQSMV_UHFFFAOYSA_N =  7.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_TZKNMZPMBZQSMV_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C732CO3H
! formula:  C_8H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: IARLEAITRRLVEZ-UHFFFAOYSA-N
Hvpx_IARLEAITRRLVEZ_UHFFFAOYSA_N =  1.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IARLEAITRRLVEZ_UHFFFAOYSA_N =  2.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IARLEAITRRLVEZ_UHFFFAOYSA_N =  2.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:KLIMONIC
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: POLIOAJLCGOOTJ-UHFFFAOYSA-N
Hvpx_POLIOAJLCGOOTJ_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_POLIOAJLCGOOTJ_UHFFFAOYSA_N =  1.6E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_POLIOAJLCGOOTJ_UHFFFAOYSA_N =  4.8E-10                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C827CO2H
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UOMMGFNPUVSKTE-UHFFFAOYSA-N
Hvpx_UOMMGFNPUVSKTE_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UOMMGFNPUVSKTE_UHFFFAOYSA_N =  4.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UOMMGFNPUVSKTE_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C88CO2H
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LOFCXTWTTIFNLN-UHFFFAOYSA-N
Hvpx_LOFCXTWTTIFNLN_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LOFCXTWTTIFNLN_UHFFFAOYSA_N =  8.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LOFCXTWTTIFNLN_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:KLIMONONIC
! formula:  C_9H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RRLLKTDJWPIWHS-UHFFFAOYSA-N
Hvpx_RRLLKTDJWPIWHS_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RRLLKTDJWPIWHS_UHFFFAOYSA_N =  1.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RRLLKTDJWPIWHS_UHFFFAOYSA_N =  6.4E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C928CO2H
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SANKOOWGNYBKOU-UHFFFAOYSA-N
Hvpx_SANKOOWGNYBKOU_UHFFFAOYSA_N =  4.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SANKOOWGNYBKOU_UHFFFAOYSA_N =  9.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_SANKOOWGNYBKOU_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMONONIC
! formula:  C_{10}H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NJOIWWRMLFSDTM-UHFFFAOYSA-N
Hvpx_NJOIWWRMLFSDTM_UHFFFAOYSA_N =  9.5E-06 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_NJOIWWRMLFSDTM_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NJOIWWRMLFSDTM_UHFFFAOYSA_N =  9.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NJOIWWRMLFSDTM_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1011CO2H
! formula:  C_{11}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IUOPXZCJHJMHNP-UHFFFAOYSA-N
Hvpx_IUOPXZCJHJMHNP_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IUOPXZCJHJMHNP_UHFFFAOYSA_N =  3.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IUOPXZCJHJMHNP_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1211OOH
! formula:  C_{12}H_{20}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PTZJPBFCCQIPAZ-UHFFFAOYSA-N
Hvpx_PTZJPBFCCQIPAZ_UHFFFAOYSA_N =  1.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PTZJPBFCCQIPAZ_UHFFFAOYSA_N =  3.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PTZJPBFCCQIPAZ_UHFFFAOYSA_N =  6.7E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1211CO2H
! formula:  C_{13}H_{20}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QUEDJGCZCJPFDA-UHFFFAOYSA-N
Hvpx_QUEDJGCZCJPFDA_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_QUEDJGCZCJPFDA_UHFFFAOYSA_N =  5.8E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_QUEDJGCZCJPFDA_UHFFFAOYSA_N =  2.0E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1211CO3H
! formula:  C_{13}H_{20}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DVDQWECWXWLOQZ-UHFFFAOYSA-N
Hvpx_DVDQWECWXWLOQZ_UHFFFAOYSA_N =  1.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DVDQWECWXWLOQZ_UHFFFAOYSA_N =  1.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DVDQWECWXWLOQZ_UHFFFAOYSA_N =  6.7E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C131CO2H
! formula:  C_{14}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QDUXHZZYSCMHPK-UHFFFAOYSA-N
Hvpx_QDUXHZZYSCMHPK_UHFFFAOYSA_N =  2.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QDUXHZZYSCMHPK_UHFFFAOYSA_N =  4.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_QDUXHZZYSCMHPK_UHFFFAOYSA_N =  9.3E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C147CO
! formula:  C_{14}H_{20}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MMRJODLWTRWNRH-UHFFFAOYSA-N
Hvpx_MMRJODLWTRWNRH_UHFFFAOYSA_N =  3.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MMRJODLWTRWNRH_UHFFFAOYSA_N =  1.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MMRJODLWTRWNRH_UHFFFAOYSA_N =  2.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C147OOH
! formula:  C_{14}H_{22}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: MOUQEZQXHGSYER-UHFFFAOYSA-N
Hvpx_MOUQEZQXHGSYER_UHFFFAOYSA_N =  3.2E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_MOUQEZQXHGSYER_UHFFFAOYSA_N =  5.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MOUQEZQXHGSYER_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C141CO2H
! formula:  C_{15}H_{24}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VGNFSHPHIKPNED-UHFFFAOYSA-N
Hvpx_VGNFSHPHIKPNED_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VGNFSHPHIKPNED_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VGNFSHPHIKPNED_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOCH2COCO2H
! formula:  C_3H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HHDDCCUIIUWNGJ-UHFFFAOYSA-N
Hvpx_HHDDCCUIIUWNGJ_UHFFFAOYSA_N =  5.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HHDDCCUIIUWNGJ_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HHDDCCUIIUWNGJ_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3C2C4CO2H
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IQZHXDCQZNRIRW-UHFFFAOYSA-N
Hvpx_IQZHXDCQZNRIRW_UHFFFAOYSA_N =  6.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IQZHXDCQZNRIRW_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IQZHXDCQZNRIRW_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMVKBCO2H
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ISMQTZHDOHOVBT-UHFFFAOYSA-N
Hvpx_ISMQTZHDOHOVBT_UHFFFAOYSA_N =  3.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ISMQTZHDOHOVBT_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ISMQTZHDOHOVBT_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C517CO2H
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: APPVMSIJNZFGHP-UHFFFAOYSA-N
Hvpx_APPVMSIJNZFGHP_UHFFFAOYSA_N =  3.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_APPVMSIJNZFGHP_UHFFFAOYSA_N =  4.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_APPVMSIJNZFGHP_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C519CO2H
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ULHNCRHSCMPZGW-UHFFFAOYSA-N
Hvpx_ULHNCRHSCMPZGW_UHFFFAOYSA_N =  3.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ULHNCRHSCMPZGW_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ULHNCRHSCMPZGW_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C732OH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PKQMWBHBXJKPID-UHFFFAOYSA-N
Hvpx_PKQMWBHBXJKPID_UHFFFAOYSA_N =  4.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PKQMWBHBXJKPID_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PKQMWBHBXJKPID_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C734CO
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CPJVKYXUMUTCGW-UHFFFAOYSA-N
Hvpx_CPJVKYXUMUTCGW_UHFFFAOYSA_N =  6.9E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_CPJVKYXUMUTCGW_UHFFFAOYSA_N =  8.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CPJVKYXUMUTCGW_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C734OH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RDRUHSRUZHRAFB-UHFFFAOYSA-N
Hvpx_RDRUHSRUZHRAFB_UHFFFAOYSA_N =  2.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RDRUHSRUZHRAFB_UHFFFAOYSA_N =  6.3E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_RDRUHSRUZHRAFB_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C734OOH
! formula:  C_7H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ABEMFUWOTMEDPB-UHFFFAOYSA-N
Hvpx_ABEMFUWOTMEDPB_UHFFFAOYSA_N =  4.9E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_ABEMFUWOTMEDPB_UHFFFAOYSA_N =  2.7E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_ABEMFUWOTMEDPB_UHFFFAOYSA_N =  4.1E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3C25CCO2H
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FMZPEVNVWACALO-UHFFFAOYSA-N
Hvpx_FMZPEVNVWACALO_UHFFFAOYSA_N =  1.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_FMZPEVNVWACALO_UHFFFAOYSA_N =  1.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_FMZPEVNVWACALO_UHFFFAOYSA_N =  2.0E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C813OH
! formula:  C_8H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UHMOZKUUXAVADP-UHFFFAOYSA-N
Hvpx_UHMOZKUUXAVADP_UHFFFAOYSA_N =  2.6E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_UHMOZKUUXAVADP_UHFFFAOYSA_N =  8.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UHMOZKUUXAVADP_UHFFFAOYSA_N =  2.8E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C813OOH
! formula:  C_8H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: FNGYAHKKJFMZCA-UHFFFAOYSA-N
Hvpx_FNGYAHKKJFMZCA_UHFFFAOYSA_N =  8.8E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_FNGYAHKKJFMZCA_UHFFFAOYSA_N =  3.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_FNGYAHKKJFMZCA_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C825CO
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PGSQVIJDIYGHPF-UHFFFAOYSA-N
Hvpx_PGSQVIJDIYGHPF_UHFFFAOYSA_N =  2.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PGSQVIJDIYGHPF_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PGSQVIJDIYGHPF_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOPINONIC
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MZHKOIVHCBFXJV-UHFFFAOYSA-N
Hvpx_MZHKOIVHCBFXJV_UHFFFAOYSA_N =  6.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MZHKOIVHCBFXJV_UHFFFAOYSA_N =  9.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MZHKOIVHCBFXJV_UHFFFAOYSA_N =  5.3E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1211OH
! formula:  C_{12}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JNTJQAWMLAKHDW-UHFFFAOYSA-N
Hvpx_JNTJQAWMLAKHDW_UHFFFAOYSA_N =  4.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JNTJQAWMLAKHDW_UHFFFAOYSA_N =  2.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JNTJQAWMLAKHDW_UHFFFAOYSA_N =  1.9E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1212OH
! formula:  C_{12}H_{20}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OINCQTVJDDDYTJ-UHFFFAOYSA-N
Hvpx_OINCQTVJDDDYTJ_UHFFFAOYSA_N =  4.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_OINCQTVJDDDYTJ_UHFFFAOYSA_N =  1.2E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_OINCQTVJDDDYTJ_UHFFFAOYSA_N =  6.1E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1212OOH
! formula:  C_{12}H_{20}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KZNQDAPBLSOIIR-UHFFFAOYSA-N
Hvpx_KZNQDAPBLSOIIR_UHFFFAOYSA_N =  8.4E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_KZNQDAPBLSOIIR_UHFFFAOYSA_N =  3.0E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_KZNQDAPBLSOIIR_UHFFFAOYSA_N =  3.0E-11                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1213CO
! formula:  C_{12}H_{18}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: IKFUCIVDZJUENZ-UHFFFAOYSA-N
Hvpx_IKFUCIVDZJUENZ_UHFFFAOYSA_N =  3.6E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_IKFUCIVDZJUENZ_UHFFFAOYSA_N =  1.6E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_IKFUCIVDZJUENZ_UHFFFAOYSA_N =  2.6E-10                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1213OH
! formula:  C_{12}H_{20}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DPGLQQDGNMDAAZ-UHFFFAOYSA-N
Hvpx_DPGLQQDGNMDAAZ_UHFFFAOYSA_N =  7.7E-14                                  ! [atm] type: Q, ref: 3409
Hvpx_DPGLQQDGNMDAAZ_UHFFFAOYSA_N =  5.6E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_DPGLQQDGNMDAAZ_UHFFFAOYSA_N =  4.3E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1213OOH
! formula:  C_{12}H_{20}O_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZUGVXCQEOPRNFT-UHFFFAOYSA-N
Hvpx_ZUGVXCQEOPRNFT_UHFFFAOYSA_N =  2.9E-15                                  ! [atm] type: Q, ref: 3409
Hvpx_ZUGVXCQEOPRNFT_UHFFFAOYSA_N =  4.3E-14                                  ! [atm] type: Q, ref: 3409
Hvpx_ZUGVXCQEOPRNFT_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1310CO
! formula:  C_{13}H_{20}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NHYXXXJOGAKHPV-UHFFFAOYSA-N
Hvpx_NHYXXXJOGAKHPV_UHFFFAOYSA_N =  1.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_NHYXXXJOGAKHPV_UHFFFAOYSA_N =  1.4E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_NHYXXXJOGAKHPV_UHFFFAOYSA_N =  2.1E-10                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1310OH
! formula:  C_{13}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PXEJSKZGVMTSCR-UHFFFAOYSA-N
Hvpx_PXEJSKZGVMTSCR_UHFFFAOYSA_N =  2.7E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_PXEJSKZGVMTSCR_UHFFFAOYSA_N =  5.3E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_PXEJSKZGVMTSCR_UHFFFAOYSA_N =  3.2E-10                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1310OOH
! formula:  C_{13}H_{22}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: HXUMLFGRLLCICH-UHFFFAOYSA-N
Hvpx_HXUMLFGRLLCICH_UHFFFAOYSA_N =  1.0E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_HXUMLFGRLLCICH_UHFFFAOYSA_N =  4.9E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_HXUMLFGRLLCICH_UHFFFAOYSA_N =  9.3E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C147OH
! formula:  C_{14}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IPYASLZXSQHCRG-UHFFFAOYSA-N
Hvpx_IPYASLZXSQHCRG_UHFFFAOYSA_N =  1.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_IPYASLZXSQHCRG_UHFFFAOYSA_N =  9.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IPYASLZXSQHCRG_UHFFFAOYSA_N =  7.0E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C151OH
! formula:  C_{15}H_{26}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RRTATIWWWPYIIC-UHFFFAOYSA-N
Hvpx_RRTATIWWWPYIIC_UHFFFAOYSA_N =  8.6E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_RRTATIWWWPYIIC_UHFFFAOYSA_N =  2.3E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_RRTATIWWWPYIIC_UHFFFAOYSA_N =  1.5E-10                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C151OOH
! formula:  C_{15}H_{26}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: FDHNLWUJMDRLQD-UHFFFAOYSA-N
Hvpx_FDHNLWUJMDRLQD_UHFFFAOYSA_N =  1.2E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_FDHNLWUJMDRLQD_UHFFFAOYSA_N =  2.9E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_FDHNLWUJMDRLQD_UHFFFAOYSA_N =  2.0E-11                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO13C3CO2H
! formula:  C_4H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YEZSWHPLZBZVLH-UHFFFAOYSA-N
Hvpx_YEZSWHPLZBZVLH_UHFFFAOYSA_N =  8.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YEZSWHPLZBZVLH_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YEZSWHPLZBZVLH_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C512CO2H
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CGRSCFNOTZUXCX-UHFFFAOYSA-N
Hvpx_CGRSCFNOTZUXCX_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CGRSCFNOTZUXCX_UHFFFAOYSA_N =  8.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CGRSCFNOTZUXCX_UHFFFAOYSA_N =  3.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6COALCO2H
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: TWNJAPRLIZAXHA-UHFFFAOYSA-N
Hvpx_TWNJAPRLIZAXHA_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_TWNJAPRLIZAXHA_UHFFFAOYSA_N =  2.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_TWNJAPRLIZAXHA_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C617CO2H
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZXMACHDUAJJJBQ-UHFFFAOYSA-N
Hvpx_ZXMACHDUAJJJBQ_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZXMACHDUAJJJBQ_UHFFFAOYSA_N =  5.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZXMACHDUAJJJBQ_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C618CO2H
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MXMJWVQRGMMLRI-UHFFFAOYSA-N
Hvpx_MXMJWVQRGMMLRI_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MXMJWVQRGMMLRI_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MXMJWVQRGMMLRI_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C626CO2H
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JCTYMUINHXVDEP-UHFFFAOYSA-N
Hvpx_JCTYMUINHXVDEP_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JCTYMUINHXVDEP_UHFFFAOYSA_N =  6.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JCTYMUINHXVDEP_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C732CO
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ATXVRLJHWCSFDB-UHFFFAOYSA-N
Hvpx_ATXVRLJHWCSFDB_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ATXVRLJHWCSFDB_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ATXVRLJHWCSFDB_UHFFFAOYSA_N =  2.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C718CO2H
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OBYKYHDGLQUNDK-UHFFFAOYSA-N
Hvpx_OBYKYHDGLQUNDK_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OBYKYHDGLQUNDK_UHFFFAOYSA_N =  3.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OBYKYHDGLQUNDK_UHFFFAOYSA_N =  5.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C731CO2H
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: URWVDUFOGQNELZ-UHFFFAOYSA-N
Hvpx_URWVDUFOGQNELZ_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_URWVDUFOGQNELZ_UHFFFAOYSA_N =  2.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_URWVDUFOGQNELZ_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C87CO2H
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GZPOIVSRXTZTQZ-UHFFFAOYSA-N
Hvpx_GZPOIVSRXTZTQZ_UHFFFAOYSA_N =  3.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GZPOIVSRXTZTQZ_UHFFFAOYSA_N =  1.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GZPOIVSRXTZTQZ_UHFFFAOYSA_N =  3.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C116CO2H
! formula:  C_{12}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HWWVGCXKFWUOCT-UHFFFAOYSA-N
Hvpx_HWWVGCXKFWUOCT_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HWWVGCXKFWUOCT_UHFFFAOYSA_N =  3.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_HWWVGCXKFWUOCT_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1211CO
! formula:  C_{12}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VVPUYBXPESADLR-UHFFFAOYSA-N
Hvpx_VVPUYBXPESADLR_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VVPUYBXPESADLR_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VVPUYBXPESADLR_UHFFFAOYSA_N =  6.3E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1210CO2H
! formula:  C_{13}H_{20}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MERIWEKKXYNSHZ-UHFFFAOYSA-N
Hvpx_MERIWEKKXYNSHZ_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MERIWEKKXYNSHZ_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MERIWEKKXYNSHZ_UHFFFAOYSA_N =  6.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  1,3-dioxolan-2-one
! formula:  C_3H_4O_3
! trivial:  ethylene carbonate
! casrn:    96-49-1
! inchikey: KMTRUDSVKNLOMY-UHFFFAOYSA-N
Hvpx______96_49_1 =  1.5E+01                                  ! [atm] type: Q, ref: 3088

! species:  carbonic acid, dimethyl ester
! formula:  C_3H_6O_3
! trivial:  dimethyl carbonate
! casrn:    616-38-6
! inchikey: IEJIGPNLZYLLBP-UHFFFAOYSA-N
Hvpx_____616_38_6 =  3.4E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____616_38_6 =  3.4E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____616_38_6 =  3.6E+00 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____616_38_6 =  3.5E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3302
Hvpx_____616_38_6 =  3.4E+00 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3523
Hvpx_____616_38_6 =  2.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____616_38_6 =  2.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____616_38_6 =  2.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____616_38_6 =  3.4E+01                                  ! [atm] type: Q, ref: 3088

! species:  dimethyl dicarbonate
! formula:  C_4H_6O_5
! trivial:  
! casrn:    4525-33-1
! inchikey: GZDFHIJNHHMENY-UHFFFAOYSA-N
Hvpx____4525_33_1 =  2.5E+01                                  ! [atm] type: Q, ref: 3088

! species:  carbonic acid, diethyl ester
! formula:  C_5H_{10}O_3
! trivial:  diethyl carbonate
! casrn:    105-58-8
! inchikey: OIFBSDVPJOWBCH-UHFFFAOYSA-N
Hvpx_____105_58_8 =  5.4E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____105_58_8 =  5.4E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____105_58_8 =  5.4E+00 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____105_58_8 =  5.2E+00 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3302
Hvpx_____105_58_8 =  4.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____105_58_8 =  4.9E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____105_58_8 =  5.5E+00 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: V, ref: 3523
Hvpx_____105_58_8 =  3.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____105_58_8 =  3.4E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____105_58_8 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_58_8 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_58_8 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_58_8 =  8.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____105_58_8 =  2.0E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____105_58_8 =  4.9E+00                                  ! [atm] type: ?, ref: 2440

! species:  methyl methanoate
! formula:  HCOOCH_3
! trivial:  methyl formate
! casrn:    107-31-3
! inchikey: TZIHFWKZFHZASV-UHFFFAOYSA-N
Hvpx_____107_31_3 =  1.3E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____107_31_3 =  1.3E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____107_31_3 =  1.3E+01 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____107_31_3 =  1.3E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____107_31_3 =  1.3E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____107_31_3 =  1.3E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2802
Hvpx_____107_31_3 =  1.2E+01                                  ! [atm] type: M, ref: 3636
Hvpx_____107_31_3 =  1.3E+01                                  ! [atm] type: M, ref: 637
Hvpx_____107_31_3 =  1.4E+01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 640
Hvpx_____107_31_3 =  1.1E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____107_31_3 =  1.1E+01                                  ! [atm] type: V, ref: 636
Hvpx_____107_31_3 =  4.6E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_31_3 =  1.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_31_3 =  1.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_31_3 =  5.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_31_3 =  6.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_31_3 =  1.2E+01                                  ! [atm] type: Q, ref: 3689
Hvpx_____107_31_3 =  1.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____107_31_3 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_31_3 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_31_3 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_31_3 =  9.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_31_3 =  9.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_31_3 =  1.2E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____107_31_3 =  1.6E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____107_31_3 =  1.9E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____107_31_3 =  6.8E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____107_31_3 =  8.5E+00                                  ! [atm] type: Q, ref: 2482
Hvpx_____107_31_3 =  1.2E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____107_31_3 =  1.1E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____107_31_3 =  1.2E+01                                  ! [atm] type: ?, ref: 510
Hvpx_____107_31_3 =  1.2E+01                                  ! [atm] type: ?, ref: 1500
Hvpx_____107_31_3 =  1.2E+01                                  ! [atm] type: ?, ref: 642

! species:  ethyl methanoate
! formula:  HCOOC_2H_5
! trivial:  ethyl formate
! casrn:    109-94-4
! inchikey: WBJINCZRORDGAQ-UHFFFAOYSA-N
Hvpx_____109_94_4 =  1.6E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____109_94_4 =  1.6E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____109_94_4 =  1.7E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____109_94_4 =  1.6E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____109_94_4 =  1.6E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____109_94_4 =  1.6E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2802
Hvpx_____109_94_4 =  1.4E+01                                  ! [atm] type: M, ref: 3636
Hvpx_____109_94_4 =  2.3E+01                                  ! [atm] type: M, ref: 3635
Hvpx_____109_94_4 =  2.8E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 640
Hvpx_____109_94_4 =  1.1E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____109_94_4 =  1.1E+01                                  ! [atm] type: V, ref: 636
Hvpx_____109_94_4 =  1.8E+01                                  ! [atm] type: V, ref: 1497
Hvpx_____109_94_4 =  1.6E+01                                  ! [atm] type: V, ref: 642
Hvpx_____109_94_4 =  3.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_94_4 =  3.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_94_4 =  1.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_94_4 =  1.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_94_4 =  1.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_94_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____109_94_4 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_94_4 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_94_4 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_94_4 =  1.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_94_4 =  1.0E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_94_4 =  2.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_94_4 =  2.1E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_94_4 =  1.6E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_94_4 =  8.7E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____109_94_4 =  9.6E+00                                  ! [atm] type: Q, ref: 2482
Hvpx_____109_94_4 =  2.1E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____109_94_4 =  1.2E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____109_94_4 =  3.2E+01                                  ! [atm] type: ?, ref: 3614
Hvpx_____109_94_4 =  3.8E+02                                  ! [atm] type: ?, ref: 637
Hvpx_____109_94_4 =  1.8E+01                                  ! [atm] type: ?, ref: 1500

! species:  propyl methanoate
! formula:  HCOOC_3H_7
! trivial:  propyl formate
! casrn:    110-74-7
! inchikey: KFNNIILCVOLYIR-UHFFFAOYSA-N
Hvpx_____110_74_7 =  2.1E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____110_74_7 =  2.1E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____110_74_7 =  1.8E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____110_74_7 =  2.1E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____110_74_7 =  1.9E+01 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____110_74_7 =  2.1E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2802
Hvpx_____110_74_7 =  2.4E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____110_74_7 =  2.6E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____110_74_7 =  2.0E+01                                  ! [atm] type: V, ref: 642
Hvpx_____110_74_7 =  2.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_74_7 =  2.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_74_7 =  2.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_74_7 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_74_7 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_74_7 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_74_7 =  1.9E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_74_7 =  2.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_74_7 =  1.2E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_74_7 =  4.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_74_7 =  2.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_74_7 =  1.6E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_74_7 =  1.2E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____110_74_7 =  1.2E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____110_74_7 =  2.4E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____110_74_7 =  2.0E+01                                  ! [atm] type: ?, ref: 1500

! species:  isopropyl methanoate
! formula:  HCOOC_3H_7
! trivial:  isopropyl formate
! casrn:    625-55-8
! inchikey: RMOUBSOVHSONPZ-UHFFFAOYSA-N
Hvpx_____625_55_8 =  2.9E+01                                  ! [atm] type: L, ref: 3616
Hvpx_____625_55_8 =  4.3E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____625_55_8 =  4.5E+01                                  ! [atm] type: V, ref: 642
Hvpx_____625_55_8 =  6.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____625_55_8 =  1.2E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_55_8 =  1.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_55_8 =  7.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_55_8 =  1.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____625_55_8 =  2.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____625_55_8 =  4.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____625_55_8 =  2.7E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____625_55_8 =  1.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____625_55_8 =  1.3E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____625_55_8 =  1.4E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____625_55_8 =  4.5E+01                                  ! [atm] type: ?, ref: 1500

! species:  butyl methanoate
! formula:  HCOOC_4H_9
! trivial:  butyl formate
! casrn:    592-84-7
! inchikey: NMJJFJNHVMGPGM-UHFFFAOYSA-N
Hvpx_____592_84_7 =  2.1E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____592_84_7 =  2.8E+01                                  ! [atm] type: L, ref: 3616
Hvpx_____592_84_7 =  2.8E+01                                  ! [atm] type: M, ref: 3636
Hvpx_____592_84_7 =  2.8E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____592_84_7 =  3.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____592_84_7 =  2.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____592_84_7 =  1.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____592_84_7 =  2.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____592_84_7 =  1.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____592_84_7 =  3.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____592_84_7 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____592_84_7 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____592_84_7 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____592_84_7 =  2.8E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____592_84_7 =  1.3E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____592_84_7 =  2.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____592_84_7 =  1.6E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____592_84_7 =  2.8E+01                                  ! [atm] type: ?, ref: 2440

! species:  (1-methylpropyl)-methanoate
! formula:  C_5H_{10}O_2
! trivial:  {\it sec}-butyl formate
! casrn:    589-40-2
! inchikey: OAEQYDZVVPONKW-UHFFFAOYSA-N
Hvpx_____589_40_2 =  2.8E+01                                  ! [atm] type: Q, ref: 3406

! species:  (2-methylpropyl)-methanoate
! formula:  HCOOC_4H_9
! trivial:  isobutyl formate
! casrn:    542-55-2
! inchikey: AVMSWPWPYJVYKY-UHFFFAOYSA-N
Hvpx_____542_55_2 =  3.3E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____542_55_2 =  3.5E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____542_55_2 =  2.9E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____542_55_2 =  3.0E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____542_55_2 =  3.0E+01                                  ! [atm] type: V, ref: 636
Hvpx_____542_55_2 =  3.2E+01                                  ! [atm] type: V, ref: 642
Hvpx_____542_55_2 =  3.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____542_55_2 =  6.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____542_55_2 =  5.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____542_55_2 =  2.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____542_55_2 =  2.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____542_55_2 =  1.7E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____542_55_2 =  2.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____542_55_2 =  3.6E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____542_55_2 =  1.4E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____542_55_2 =  1.7E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____542_55_2 =  1.8E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____542_55_2 =  1.6E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____542_55_2 =  3.2E+01                                  ! [atm] type: ?, ref: 1500

! species:  (1,1-dimethylethyl)-methanoate
! formula:  HCOOC_4H_9
! trivial:  {\it tert}-butyl formate; TBF
! casrn:    762-75-4
! inchikey: RUPAXCPQAAOIPB-UHFFFAOYSA-N
Hvpx_____762_75_4 =  3.8E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____762_75_4 =  3.9E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2646
Hvpx_____762_75_4 =  2.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____762_75_4 =  2.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____762_75_4 =  7.5E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____762_75_4 =  1.9E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____762_75_4 =  1.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____762_75_4 =  2.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____762_75_4 =  5.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____762_75_4 =  8.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____762_75_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____762_75_4 =  2.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____762_75_4 =  3.8E+01                                  ! [atm] type: ?, ref: 3586

! species:  pentyl methanoate
! formula:  C_6H_{12}O_2
! trivial:  pentyl formate
! casrn:    638-49-3
! inchikey: DIQMPQMYFZXDAX-UHFFFAOYSA-N
Hvpx_____638_49_3 =  3.2E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____638_49_3 =  3.5E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____638_49_3 =  3.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____638_49_3 =  4.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____638_49_3 =  4.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____638_49_3 =  4.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____638_49_3 =  7.3E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____638_49_3 =  2.0E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____638_49_3 =  2.2E+01                                  ! [atm] type: ?, ref: 2440

! species:  3-pentyl methanoate
! formula:  C_6H_{12}O_2
! trivial:  3-pentyl formate
! casrn:    58368-67-5
! inchikey: YMJOAYHERILFIM-UHFFFAOYSA-N
Hvpx___58368_67_5 =  4.5E+01                                  ! [atm] type: Q, ref: 3406

! species:  1,1-dimethylpropyl methanoate
! formula:  C_6H_{12}O_2
! trivial:  1,1-dimethylpropyl formate
! casrn:    757-88-0
! inchikey: SVZIJXUUTNJSEJ-UHFFFAOYSA-N
Hvpx_____757_88_0 =  3.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____757_88_0 =  1.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____757_88_0 =  3.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  1,2-dimethylpropyl methanoate
! formula:  C_6H_{12}O_2
! trivial:  1,2-dimethylpropyl formate
! casrn:    66794-46-5
! inchikey: XEQSPMCNFJQDHU-UHFFFAOYSA-N
Hvpx___66794_46_5 =  3.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66794_46_5 =  4.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66794_46_5 =  3.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  1-methylbutyl methanoate
! formula:  C_6H_{12}O_2
! trivial:  1-methylbutyl formate
! casrn:    58368-66-4
! inchikey: JNRQSKFTIYCDIP-UHFFFAOYSA-N
Hvpx___58368_66_4 =  3.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___58368_66_4 =  3.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___58368_66_4 =  3.7E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethylpropyl methanoate
! formula:  C_6H_{12}O_2
! trivial:  2,2-dimethylpropyl formate
! casrn:    23361-67-3
! inchikey: DGMIPKNXUDSQGI-UHFFFAOYSA-N
Hvpx___23361_67_3 =  3.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___23361_67_3 =  1.8E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___23361_67_3 =  3.7E+01                                  ! [atm] type: Q, ref: 3579

! species:  2-methylbutyl methanoate
! formula:  C_6H_{12}O_2
! trivial:  2-methylbutyl formate
! casrn:    35073-27-9
! inchikey: DWORILFBIRYUDC-UHFFFAOYSA-N
Hvpx___35073_27_9 =  3.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___35073_27_9 =  1.0E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___35073_27_9 =  3.9E+01                                  ! [atm] type: Q, ref: 3579

! species:  3-methylbutyl methanoate
! formula:  HCOOC_5H_{11}
! trivial:  isoamyl formate
! casrn:    110-45-2
! inchikey: XKYICAQFSCFURC-UHFFFAOYSA-N
Hvpx_____110_45_2 =  4.4E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____110_45_2 =  3.7E+01                                  ! [atm] type: V, ref: 642
Hvpx_____110_45_2 =  4.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_45_2 =  1.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____110_45_2 =  5.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_45_2 =  6.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_45_2 =  3.8E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_45_2 =  3.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_45_2 =  1.6E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_45_2 =  3.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_45_2 =  4.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_45_2 =  1.6E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_45_2 =  2.1E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____110_45_2 =  2.2E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____110_45_2 =  3.7E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____110_45_2 =  3.7E+01                                  ! [atm] type: ?, ref: 1500

! species:  hexyl methanoate
! formula:  C_7H_{14}O_2
! trivial:  hexyl formate
! casrn:    629-33-4
! inchikey: OUGPMNMLWKSBRI-UHFFFAOYSA-N
Hvpx_____629_33_4 =  5.2E+01                                  ! [atm] type: L, ref: 3616
Hvpx_____629_33_4 =  5.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____629_33_4 =  6.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____629_33_4 =  6.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____629_33_4 =  5.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____629_33_4 =  3.3E+01                                  ! [atm] type: Q, ref: 984

! species:  heptyl methanoate
! formula:  C_8H_{16}O_2
! trivial:  heptyl formate
! casrn:    112-23-2
! inchikey: XEAMDSXSXYAICO-UHFFFAOYSA-N
Hvpx_____112_23_2 =  8.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_23_2 =  9.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____112_23_2 =  1.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  octyl methanoate
! formula:  C_9H_{18}O_2
! trivial:  octyl formate
! casrn:    112-32-3
! inchikey: AVBRYQRTMPHARE-UHFFFAOYSA-N
Hvpx_____112_32_3 =  3.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_32_3 =  1.6E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____112_32_3 =  1.1E+02                                  ! [atm] type: ?, ref: 2440

! species:  nonyl methanoate
! formula:  C_{10}H_{20}O_2
! trivial:  nonyl formate
! casrn:    5451-92-3
! inchikey: MOGJOLMSQWGXPA-UHFFFAOYSA-N
Hvpx____5451_92_3 =  2.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5451_92_3 =  1.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____5451_92_3 =  2.6E+02                                  ! [atm] type: Q, ref: 3579

! species:  decyl methanoate
! formula:  C_{11}H_{22}O_2
! trivial:  decyl formate
! casrn:    5451-52-5
! inchikey: BCLJZFLDSCTULJ-UHFFFAOYSA-N
Hvpx____5451_52_5 =  3.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5451_52_5 =  1.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____5451_52_5 =  3.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  undecyl methanoate
! formula:  C_{12}H_{24}O_2
! trivial:  undecyl formate
! casrn:    5454-24-0
! inchikey: OASFNORBKVGDRW-UHFFFAOYSA-N
Hvpx____5454_24_0 =  5.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5454_24_0 =  9.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____5454_24_0 =  5.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  dodecyl methanoate
! formula:  C_{13}H_{26}O_2
! trivial:  dodecyl formate
! casrn:    28303-42-6
! inchikey: WPSGFSPBRBRLIQ-UHFFFAOYSA-N
Hvpx___28303_42_6 =  8.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___28303_42_6 =  8.3E+02                                  ! [atm] type: Q, ref: 3579

! species:  vinyl methanoate
! formula:  C_3H_4O_2
! trivial:  vinyl formate
! casrn:    692-45-5
! inchikey: GFJVXXWOPWLRNU-UHFFFAOYSA-N
Hvpx_____692_45_5 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____692_45_5 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____692_45_5 =  4.4E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____692_45_5 =  1.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  benzyl methanoate
! formula:  C_8H_8O_2
! trivial:  benzyl formate
! casrn:    104-57-4
! inchikey: UYWQUFXKFGHYNT-UHFFFAOYSA-N
Hvpx_____104_57_4 =  2.8E-01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518

! species:  methyl ethanoate
! formula:  CH_3COOCH_3
! trivial:  methyl acetate
! casrn:    79-20-9
! inchikey: KXKVLQRXCPHEJC-UHFFFAOYSA-N
Hvpx______79_20_9 =  6.5E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_20_9 =  2.7E+01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______79_20_9 =  6.4E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______79_20_9 =  6.8E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx______79_20_9 =  6.7E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3093
Hvpx______79_20_9 =  4.6E+00 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______79_20_9 =  8.2E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2646
Hvpx______79_20_9 =  6.6E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3609
Hvpx______79_20_9 =  1.3E+01                                  ! [atm] type: M, ref: 3631
Hvpx______79_20_9 =  7.1E+00                                  ! [atm] type: M, ref: 3640
Hvpx______79_20_9 =  7.1E+00 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 628
Hvpx______79_20_9 =  6.4E+00                                  ! [atm] type: M, ref: 754
Hvpx______79_20_9 =  5.0E+00                                  ! [atm] type: M, ref: 713
Hvpx______79_20_9 =  6.2E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3641
Hvpx______79_20_9 =  4.8E+00                                  ! [atm] type: V, ref: 2613
Hvpx______79_20_9 =  4.8E+00                                  ! [atm] type: V, ref: 636
Hvpx______79_20_9 =  1.1E+01 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx______79_20_9 =  5.1E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx______79_20_9 =  3.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______79_20_9 =  5.7E+00                                  ! [atm] type: Q, ref: 3682
Hvpx______79_20_9 =  3.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______79_20_9 =  3.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______79_20_9 =  1.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______79_20_9 =  4.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______79_20_9 =  2.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______79_20_9 =  7.4E+00                                  ! [atm] type: Q, ref: 3689
Hvpx______79_20_9 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______79_20_9 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______79_20_9 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______79_20_9 =  8.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______79_20_9 =  9.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______79_20_9 =  6.3E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______79_20_9 =  1.0E+01                                  ! [atm] type: Q, ref: 3731
Hvpx______79_20_9 =  7.8E+00                                  ! [atm] type: Q, ref: 2543
Hvpx______79_20_9 =  1.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______79_20_9 =  9.8E+00                                  ! [atm] type: Q, ref: 1162
Hvpx______79_20_9 =  1.4E+01                                  ! [atm] type: Q, ref: 2482
Hvpx______79_20_9 =  6.4E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______79_20_9 =  3.9E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______79_20_9 =  6.8E+00                                  ! [atm] type: ?, ref: 1500

! species:  ethyl ethanoate
! formula:  CH_3COOC_2H_5
! trivial:  ethyl acetate
! casrn:    141-78-6
! inchikey: XEKOWRVHYACXOJ-UHFFFAOYSA-N
Hvpx_____141_78_6 =  8.4E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____141_78_6 =  9.3E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____141_78_6 =  8.4E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____141_78_6 =  9.2E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____141_78_6 =  8.7E+00 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____141_78_6 =  9.3E+00 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3507
Hvpx_____141_78_6 =  1.0E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3788
Hvpx_____141_78_6 =  8.9E+00 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3093
Hvpx_____141_78_6 =  1.1E+01                                  ! [atm] type: M, ref: 2371
Hvpx_____141_78_6 =  9.2E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2802
Hvpx_____141_78_6 =  1.4E+01                                  ! [atm] type: M, ref: 3643
Hvpx_____141_78_6 =  1.3E+01                                  ! [atm] type: M, ref: 3670
Hvpx_____141_78_6 =  1.8E+01                                  ! [atm] type: M, ref: 3611
Hvpx_____141_78_6 =  8.2E+00                                  ! [atm] type: M, ref: 3645
Hvpx_____141_78_6 =  1.6E+01                                  ! [atm] type: M, ref: 3646
Hvpx_____141_78_6 =  9.6E+00                                  ! [atm] type: M, ref: 3647
Hvpx_____141_78_6 =  2.0E+01                                  ! [atm] type: M, ref: 3631
Hvpx_____141_78_6 =  1.3E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 857
Hvpx_____141_78_6 =  4.8E+00                                  ! [atm] type: M, ref: 3648
Hvpx_____141_78_6 =  1.3E+01                                  ! [atm] type: M, ref: 2924
Hvpx_____141_78_6 =  8.9E+00                                  ! [atm] type: M, ref: 3649
Hvpx_____141_78_6 =  1.3E+01                                  ! [atm] type: M, ref: 3635
Hvpx_____141_78_6 =  4.4E+00                                  ! [atm] type: M, ref: 3640
Hvpx_____141_78_6 =  9.4E+00 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 628
Hvpx_____141_78_6 =  9.6E+00                                  ! [atm] type: M, ref: 2387
Hvpx_____141_78_6 =  7.3E+00                                  ! [atm] type: M, ref: 713
Hvpx_____141_78_6 =  7.5E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____141_78_6 =  1.8E+01                                  ! [atm] type: V, ref: 3642
Hvpx_____141_78_6 =  7.5E+00                                  ! [atm] type: V, ref: 636
Hvpx_____141_78_6 =  1.5E+00                                  ! [atm] type: V, ref: 2439
Hvpx_____141_78_6 =  7.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____141_78_6 =  1.2E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx_____141_78_6 =  1.4E+01                                  ! [atm] type: C, ref: 3644
Hvpx_____141_78_6 =  7.0E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____141_78_6 =  2.5E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____141_78_6 =  7.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____141_78_6 =  1.9E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____141_78_6 =  8.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____141_78_6 =  2.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____141_78_6 =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____141_78_6 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_78_6 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_78_6 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_78_6 =  1.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____141_78_6 =  1.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____141_78_6 =  7.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____141_78_6 =  1.0E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____141_78_6 =  1.0E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____141_78_6 =  1.2E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____141_78_6 =  3.4E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____141_78_6 =  1.3E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____141_78_6 =  1.3E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____141_78_6 =  7.4E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____141_78_6 =  7.6E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____141_78_6 =  6.2E+00                                  ! [atm] type: ?, ref: 637
Hvpx_____141_78_6 =  9.4E+00                                  ! [atm] type: ?, ref: 1500

! species:  ethyl ethanoate-1-13C
! formula:  CH_3COOC_2H_5
! trivial:  ethyl acetate-1-13C
! casrn:    3424-59-7
! inchikey: XEKOWRVHYACXOJ-AZXPZELESA-N
Hvpx____3424_59_7 =  7.6E+00 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  propyl ethanoate
! formula:  CH_3COOC_3H_7
! trivial:  propyl acetate
! casrn:    109-60-4
! inchikey: YKYONYBAUNKHLG-UHFFFAOYSA-N
Hvpx_____109_60_4 =  1.2E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____109_60_4 =  1.2E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____109_60_4 =  1.2E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____109_60_4 =  1.2E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3093
Hvpx_____109_60_4 =  1.4E+01                                  ! [atm] type: M, ref: 3643
Hvpx_____109_60_4 =  1.8E+01                                  ! [atm] type: M, ref: 3670
Hvpx_____109_60_4 =  3.1E+01                                  ! [atm] type: M, ref: 3611
Hvpx_____109_60_4 =  1.5E+01                                  ! [atm] type: M, ref: 3646
Hvpx_____109_60_4 =  2.7E+01                                  ! [atm] type: M, ref: 3631
Hvpx_____109_60_4 =  1.8E+01                                  ! [atm] type: M, ref: 3635
Hvpx_____109_60_4 =  1.2E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 628
Hvpx_____109_60_4 =  1.2E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____109_60_4 =  1.2E+01                                  ! [atm] type: V, ref: 636
Hvpx_____109_60_4 =  1.1E+01                                  ! [atm] type: V, ref: 642
Hvpx_____109_60_4 =  1.1E+01                                  ! [atm] type: V, ref: 713
Hvpx_____109_60_4 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_60_4 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_60_4 =  1.3E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx_____109_60_4 =  1.1E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____109_60_4 =  1.9E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_60_4 =  7.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_60_4 =  2.2E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_60_4 =  1.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_60_4 =  2.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_60_4 =  2.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____109_60_4 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_60_4 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_60_4 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_60_4 =  1.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____109_60_4 =  1.9E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_60_4 =  1.3E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_60_4 =  1.2E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_60_4 =  2.1E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____109_60_4 =  1.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_60_4 =  1.3E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_60_4 =  5.5E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____109_60_4 =  1.7E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____109_60_4 =  1.7E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____109_60_4 =  1.2E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____109_60_4 =  1.6E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____109_60_4 =  1.2E+01                                  ! [atm] type: ?, ref: 1500

! species:  methyl methoxyacetate
! formula:  C_4H_8O_3
! trivial:  
! casrn:    6290-49-9
! inchikey: QRMHDGWGLNLHMN-UHFFFAOYSA-N
Hvpx____6290_49_9 =  2.2E-01                                  ! [atm] type: M, ref: 3609

! species:  2-propenyl ethanoate
! formula:  C_5H_8O_2
! trivial:  
! casrn:    591-87-7
! inchikey: FWZUNOYOVVKUNF-UHFFFAOYSA-N
Hvpx_____591_87_7 =  7.2E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____591_87_7 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_87_7 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_87_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_87_7 =  7.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____591_87_7 =  6.5E+00                                  ! [atm] type: Q, ref: 2530

! species:  2-propyl ethanoate
! formula:  CH_3COOC_3H_7
! trivial:  isopropyl acetate
! casrn:    108-21-4
! inchikey: JMMWKPVZQRWMSS-UHFFFAOYSA-N
Hvpx_____108_21_4 =  1.7E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_21_4 =  1.7E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____108_21_4 =  4.1E+01                                  ! [atm] type: M, ref: 3631
Hvpx_____108_21_4 =  1.6E+01                                  ! [atm] type: V, ref: 642
Hvpx_____108_21_4 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_21_4 =  1.9E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx_____108_21_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____108_21_4 =  1.9E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_21_4 =  1.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_21_4 =  2.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_21_4 =  1.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_21_4 =  3.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_21_4 =  9.1E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_21_4 =  2.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_21_4 =  2.0E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_21_4 =  1.2E+05                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_21_4 =  1.6E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_21_4 =  1.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_21_4 =  1.3E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_21_4 =  1.9E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_21_4 =  1.9E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____108_21_4 =  1.5E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_21_4 =  1.5E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_21_4 =  1.6E+01                                  ! [atm] type: ?, ref: 1500

! species:  2-methoxyethyl ethanoate
! formula:  C_5H_{10}O_3
! trivial:  methyl cellosolve acetate
! casrn:    110-49-6
! inchikey: XLLIQLLCWZCATF-UHFFFAOYSA-N
Hvpx_____110_49_6 =  1.8E-01                                  ! [atm] type: M, ref: 3609
Hvpx_____110_49_6 =  6.1E-02                                  ! [atm] type: V, ref: 3088

! species:  glycerol monoacetate
! formula:  C_5H_{10}O_4
! trivial:  acetin
! casrn:    26446-35-5
! inchikey: KMZHZAAOEWVPSE-UHFFFAOYSA-N
Hvpx___26446_35_5 =  2.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  1-propen-2-ol, acetate
! formula:  C_5H_8O_2
! trivial:  isopropenyl acetate
! casrn:    108-22-5
! inchikey: HETCEOQFVDFGSY-UHFFFAOYSA-N
Hvpx_____108_22_5 =  1.0E+02                                  ! [atm] type: Q, ref: 3088

! species:  butyl ethanoate
! formula:  CH_3COOC_4H_9
! trivial:  butyl acetate
! casrn:    123-86-4
! inchikey: DKPFZGUDAPQIHT-UHFFFAOYSA-N
Hvpx_____123_86_4 =  1.5E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____123_86_4 =  1.6E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____123_86_4 =  2.3E+01                                  ! [atm] type: M, ref: 3032
Hvpx_____123_86_4 =  1.6E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3093
Hvpx_____123_86_4 =  2.6E+01                                  ! [atm] type: M, ref: 2955
Hvpx_____123_86_4 =  2.0E+01                                  ! [atm] type: M, ref: 3643
Hvpx_____123_86_4 =  2.3E+01                                  ! [atm] type: M, ref: 3670
Hvpx_____123_86_4 =  3.2E+01                                  ! [atm] type: M, ref: 3611
Hvpx_____123_86_4 =  2.0E+01                                  ! [atm] type: M, ref: 3646
Hvpx_____123_86_4 =  4.3E+01                                  ! [atm] type: M, ref: 3631
Hvpx_____123_86_4 =  2.3E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 857
Hvpx_____123_86_4 =  1.6E+01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3640
Hvpx_____123_86_4 =  1.6E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 628
Hvpx_____123_86_4 =  1.7E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____123_86_4 =  1.7E+01                                  ! [atm] type: V, ref: 636
Hvpx_____123_86_4 =  2.0E+01                                  ! [atm] type: V, ref: 2439
Hvpx_____123_86_4 =  1.8E+01                                  ! [atm] type: V, ref: 642
Hvpx_____123_86_4 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_86_4 =  1.5E+01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: X, ref: 1154
Hvpx_____123_86_4 =  2.6E+01 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____123_86_4 =  1.3E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____123_86_4 =  1.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____123_86_4 =  6.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_86_4 =  2.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_86_4 =  1.9E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_86_4 =  3.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_86_4 =  2.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____123_86_4 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_86_4 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_86_4 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_86_4 =  2.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_86_4 =  1.8E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_86_4 =  1.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____123_86_4 =  2.3E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____123_86_4 =  1.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____123_86_4 =  1.3E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____123_86_4 =  1.0E+01                                  ! [atm] type: Q, ref: 731
Hvpx_____123_86_4 =  3.4E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____123_86_4 =  2.1E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____123_86_4 =  1.6E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____123_86_4 =  1.4E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____123_86_4 =  1.6E+01                                  ! [atm] type: ?, ref: 1500

! species:  2-butyl ethanoate
! formula:  C_6H_{12}O_2
! trivial:  {\it sec}-butyl acetate
! casrn:    105-46-4
! inchikey: DCKVNWZUADLDEH-UHFFFAOYSA-N
Hvpx_____105_46_4 =  2.4E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____105_46_4 =  2.4E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____105_46_4 =  2.3E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____105_46_4 =  2.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____105_46_4 =  2.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____105_46_4 =  2.2E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____105_46_4 =  2.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____105_46_4 =  2.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____105_46_4 =  4.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____105_46_4 =  1.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____105_46_4 =  1.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____105_46_4 =  1.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____105_46_4 =  2.2E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____105_46_4 =  3.3E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____105_46_4 =  3.0E+01                                  ! [atm] type: ?, ref: 2440

! species:  1,1-dimethylethyl ethanoate
! formula:  C_6H_{12}O_2
! trivial:  {\it tert}-butyl acetate
! casrn:    540-88-5
! inchikey: WMOVHXAZOJBABW-UHFFFAOYSA-N
Hvpx_____540_88_5 =  4.6E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____540_88_5 =  4.8E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____540_88_5 =  4.8E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____540_88_5 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____540_88_5 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____540_88_5 =  2.1E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____540_88_5 =  3.9E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____540_88_5 =  3.9E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____540_88_5 =  3.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____540_88_5 =  7.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____540_88_5 =  2.3E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____540_88_5 =  9.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____540_88_5 =  1.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____540_88_5 =  2.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____540_88_5 =  2.9E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____540_88_5 =  1.9E+01                                  ! [atm] type: ?, ref: 2440

! species:  2-methylpropyl ethanoate
! formula:  CH_3COOC_4H_9
! trivial:  isobutyl acetate
! casrn:    110-19-0
! inchikey: GJRQTCIYDGXPES-UHFFFAOYSA-N
Hvpx_____110_19_0 =  2.1E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____110_19_0 =  2.3E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____110_19_0 =  5.4E+01                                  ! [atm] type: M, ref: 3631
Hvpx_____110_19_0 =  2.9E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____110_19_0 =  2.9E+01                                  ! [atm] type: V, ref: 636
Hvpx_____110_19_0 =  2.5E+01                                  ! [atm] type: V, ref: 642
Hvpx_____110_19_0 =  1.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_19_0 =  2.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_19_0 =  1.5E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____110_19_0 =  1.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____110_19_0 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_19_0 =  5.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_19_0 =  1.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_19_0 =  2.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_19_0 =  1.7E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_19_0 =  3.0E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____110_19_0 =  1.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_19_0 =  5.8E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____110_19_0 =  2.4E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____110_19_0 =  2.5E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____110_19_0 =  2.5E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____110_19_0 =  2.4E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____110_19_0 =  2.5E+01                                  ! [atm] type: ?, ref: 1500

! species:  pentyl ethanoate
! formula:  CH_3COOC_5H_{11}
! trivial:  amyl acetate
! casrn:    628-63-7
! inchikey: PGMYKACGEOXYJE-UHFFFAOYSA-N
Hvpx_____628_63_7 =  2.2E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____628_63_7 =  2.0E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____628_63_7 =  4.1E+00 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3650
Hvpx_____628_63_7 =  5.9E+01                                  ! [atm] type: M, ref: 3631
Hvpx_____628_63_7 =  1.6E+01                                  ! [atm] type: M, ref: 2448
Hvpx_____628_63_7 =  2.0E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 628
Hvpx_____628_63_7 =  2.3E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____628_63_7 =  2.3E+01                                  ! [atm] type: V, ref: 636
Hvpx_____628_63_7 =  2.1E+01                                  ! [atm] type: V, ref: 642
Hvpx_____628_63_7 =  1.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____628_63_7 =  1.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____628_63_7 =  2.1E+01                                  ! [atm] type: C, ref: 3650
Hvpx_____628_63_7 =  1.6E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____628_63_7 =  1.0E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____628_63_7 =  6.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____628_63_7 =  3.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____628_63_7 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_63_7 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_63_7 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_63_7 =  2.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____628_63_7 =  2.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____628_63_7 =  1.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____628_63_7 =  2.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____628_63_7 =  2.6E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____628_63_7 =  2.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____628_63_7 =  1.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____628_63_7 =  2.6E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____628_63_7 =  2.1E+01                                  ! [atm] type: Q, ref: 731
Hvpx_____628_63_7 =  2.8E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____628_63_7 =  2.6E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____628_63_7 =  2.4E+01                                  ! [atm] type: Q, ref: 2531
Hvpx_____628_63_7 =  2.1E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____628_63_7 =  1.9E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____628_63_7 =  2.0E+01                                  ! [atm] type: ?, ref: 1500

! species:  2-methylbutyl ethanoate
! formula:  C_7H_{14}O_2
! trivial:  2-methylbutyl acetate
! casrn:    624-41-9
! inchikey: XHIUFYZDQBSEMF-UHFFFAOYSA-N
Hvpx_____624_41_9 =  2.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____624_41_9 =  7.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____624_41_9 =  1.9E+01                                  ! [atm] type: Q, ref: 3579

! species:  1,2-dimethylpropyl ethanoate
! formula:  C_7H_{14}O_2
! trivial:  1,2-dimethylpropyl acetate
! casrn:    5343-96-4
! inchikey: ZLSXRPTWWRGMTJ-UHFFFAOYSA-N
Hvpx____5343_96_4 =  1.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5343_96_4 =  4.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____5343_96_4 =  1.9E+01                                  ! [atm] type: Q, ref: 3579

! species:  1-ethylpropyl ethanoate
! formula:  C_7H_{14}O_2
! trivial:  1-ethylpropyl acetate
! casrn:    620-11-1
! inchikey: PBKYSIMDORTIEU-UHFFFAOYSA-N
Hvpx_____620_11_1 =  4.3E+01                                  ! [atm] type: Q, ref: 3406

! species:  1,1-dimethylpropyl ethanoate
! formula:  C_7H_{14}O_2
! trivial:  {\it tert}-pentyl acetate
! casrn:    625-16-1
! inchikey: JCCIFDCPHCKATH-UHFFFAOYSA-N
Hvpx_____625_16_1 =  1.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____625_16_1 =  1.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____625_16_1 =  2.8E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____625_16_1 =  1.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____625_16_1 =  2.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethylpropyl ethanoate
! formula:  C_7H_{14}O_2
! trivial:  neopentyl acetate
! casrn:    926-41-0
! inchikey: QLNYTCSELYEEPV-UHFFFAOYSA-N
Hvpx_____926_41_0 =  2.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____926_41_0 =  2.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  1,2-propanediol, diacetate
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    623-84-7
! inchikey: MLHOXUWWKVQEJB-UHFFFAOYSA-N
Hvpx_____623_84_7 =  7.7E-03                                  ! [atm] type: Q, ref: 3088

! species:  2-pentanol, acetate
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    626-38-0
! inchikey: GQKZRWSUJHVIPE-UHFFFAOYSA-N
Hvpx_____626_38_0 =  4.4E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____626_38_0 =  2.8E+01                                  ! [atm] type: Q, ref: 3406

! species:  3-methylbutyl ethanoate
! formula:  CH_3COOC_5H_{11}
! trivial:  isoamyl acetate
! casrn:    123-92-2
! inchikey: MLFHJEHSLIIPHL-UHFFFAOYSA-N
Hvpx_____123_92_2 =  2.6E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____123_92_2 =  2.8E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____123_92_2 =  2.5E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3788
Hvpx_____123_92_2 =  6.2E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3650
Hvpx_____123_92_2 =  6.2E+01                                  ! [atm] type: M, ref: 3631
Hvpx_____123_92_2 =  2.1E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____123_92_2 =  2.1E+01                                  ! [atm] type: V, ref: 636
Hvpx_____123_92_2 =  2.7E+01                                  ! [atm] type: V, ref: 1145
Hvpx_____123_92_2 =  3.2E+01                                  ! [atm] type: V, ref: 642
Hvpx_____123_92_2 =  2.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_92_2 =  2.3E+01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____123_92_2 =  3.2E+01                                  ! [atm] type: C, ref: 3650
Hvpx_____123_92_2 =  1.0E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____123_92_2 =  7.8E-02                                  ! [atm] type: Q, ref: 3521
Hvpx_____123_92_2 =  1.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_92_2 =  4.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____123_92_2 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_92_2 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_92_2 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_92_2 =  2.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____123_92_2 =  2.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_92_2 =  1.7E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_92_2 =  3.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____123_92_2 =  3.3E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____123_92_2 =  2.3E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____123_92_2 =  1.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____123_92_2 =  3.2E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____123_92_2 =  3.0E+01                                  ! [atm] type: Q, ref: 1145
Hvpx_____123_92_2 =  3.1E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____123_92_2 =  3.2E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____123_92_2 =  2.6E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____123_92_2 =  3.2E+01                                  ! [atm] type: ?, ref: 1500

! species:  hexyl ethanoate
! formula:  CH_3COOC_6H_{13}
! trivial:  hexyl acetate
! casrn:    142-92-7
! inchikey: AOGQPLXWSUTHQB-UHFFFAOYSA-N
Hvpx_____142_92_7 =  2.7E+01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____142_92_7 =  3.2E+01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____142_92_7 =  4.0E+01                                  ! [atm] type: M, ref: 3671
Hvpx_____142_92_7 =  3.7E+01                                  ! [atm] type: M, ref: 1922
Hvpx_____142_92_7 =  1.1E+02                                  ! [atm] type: V, ref: 2613
Hvpx_____142_92_7 =  1.1E+02                                  ! [atm] type: V, ref: 636
Hvpx_____142_92_7 =  3.0E+01                                  ! [atm] type: V, ref: 642
Hvpx_____142_92_7 =  2.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____142_92_7 =  2.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____142_92_7 =  1.5E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____142_92_7 =  7.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____142_92_7 =  6.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____142_92_7 =  5.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____142_92_7 =  3.2E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____142_92_7 =  3.9E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____142_92_7 =  2.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____142_92_7 =  2.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____142_92_7 =  2.8E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____142_92_7 =  3.2E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____142_92_7 =  1.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____142_92_7 =  5.5E+01                                  ! [atm] type: Q, ref: 731
Hvpx_____142_92_7 =  3.6E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____142_92_7 =  2.5E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____142_92_7 =  2.9E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____142_92_7 =  2.7E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____142_92_7 =  3.0E+01                                  ! [atm] type: ?, ref: 1500

! species:  4-methyl-2-pentyl ethanoate
! formula:  C_8H_{16}O_2
! trivial:  4-methyl-2-pentyl acetate
! casrn:    108-84-9
! inchikey: CPIVYSAVIPTCCX-UHFFFAOYSA-N
Hvpx_____108_84_9 =  3.2E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____108_84_9 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_84_9 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_84_9 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_84_9 =  5.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_84_9 =  2.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_84_9 =  3.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_84_9 =  1.6E+01                                  ! [atm] type: Q, ref: 3764

! species:  cyclohexyl ethanoate
! formula:  C_8H_{14}O_2
! trivial:  cyclohexyl acetate
! casrn:    622-45-7
! inchikey: YYLLIJHXUHJATK-UHFFFAOYSA-N
Hvpx_____622_45_7 =  5.3E+00 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____622_45_7 =  6.6E+00                                  ! [atm] type: Q, ref: 3088

! species:  ethanol, 2-(2-ethoxyethoxy)-, acetate
! formula:  C_8H_{16}O_4
! trivial:  diethylene glycol monoethyl ether acetate
! casrn:    112-15-2
! inchikey: FPZWZCWUIYYYBU-UHFFFAOYSA-N
Hvpx_____112_15_2 =  1.3E-03                                  ! [atm] type: V, ref: 3088

! species:  phenyl ethanoate
! formula:  C_8H_8O_2
! trivial:  phenyl acetate
! casrn:    122-79-2
! inchikey: IPBVNPXQWQGGJP-UHFFFAOYSA-N
Hvpx_____122_79_2 =  4.2E-01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____122_79_2 =  3.6E+00                                  ! [atm] type: Q, ref: 3088

! species:  heptyl ethanoate
! formula:  C_9H_{18}O_2
! trivial:  heptyl acetate
! casrn:    112-06-1
! inchikey: ZCZSIDMEHXZRLG-UHFFFAOYSA-N
Hvpx_____112_06_1 =  4.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_06_1 =  4.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_06_1 =  2.3E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____112_06_1 =  5.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____112_06_1 =  4.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  phenylmethyl ethanoate
! formula:  C_9H_{10}O_2
! trivial:  benzyl acetate
! casrn:    140-11-4
! inchikey: QUKGYYKBILRGFE-UHFFFAOYSA-N
Hvpx_____140_11_4 =  6.4E-01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____140_11_4 =  6.3E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____140_11_4 =  6.1E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____140_11_4 =  7.1E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____140_11_4 =  1.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____140_11_4 =  7.8E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____140_11_4 =  5.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____140_11_4 =  1.0E+00                                  ! [atm] type: Q, ref: 3764

! species:  octyl ethanoate
! formula:  CH_3COOC_8H_{17}
! trivial:  octyl acetate
! casrn:    112-14-1
! inchikey: YLYBTZIQSIBWLI-UHFFFAOYSA-N
Hvpx_____112_14_1 =  6.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_14_1 =  6.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_14_1 =  3.0E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____112_14_1 =  4.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____112_14_1 =  5.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  2-ethylhexyl ethanoate
! formula:  C_{10}H_{20}O_2
! trivial:  2-ethylhexyl acetate
! casrn:    103-09-3
! inchikey: WOYWLLHHWAMFCB-UHFFFAOYSA-N
Hvpx_____103_09_3 =  5.1E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____103_09_3 =  5.1E+01                                  ! [atm] type: V, ref: 636
Hvpx_____103_09_3 =  4.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____103_09_3 =  8.3E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____103_09_3 =  2.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____103_09_3 =  5.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____103_09_3 =  5.6E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____103_09_3 =  4.4E+01                                  ! [atm] type: ?, ref: 2440

! species:  nonyl ethanoate
! formula:  C_{11}H_{22}O_2
! trivial:  nonyl acetate
! casrn:    143-13-5
! inchikey: GJQIMXVRFNLMTB-UHFFFAOYSA-N
Hvpx_____143_13_5 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____143_13_5 =  2.7E+01                                  ! [atm] type: Q, ref: 3682

! species:  decyl ethanoate
! formula:  C_{12}H_{24}O_2
! trivial:  decyl acetate
! casrn:    112-17-4
! inchikey: NUPSHWCALHZGOV-UHFFFAOYSA-N
Hvpx_____112_17_4 =  1.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_17_4 =  4.7E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____112_17_4 =  6.8E+01                                  ! [atm] type: Q, ref: 3406

! species:  undecyl ethanoate
! formula:  C_{13}H_{26}O_2
! trivial:  undecyl acetate
! casrn:    1731-81-3
! inchikey: CKQGCFFDQIFZFA-UHFFFAOYSA-N
Hvpx____1731_81_3 =  3.5E+01                                  ! [atm] type: Q, ref: 3406

! species:  ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate
! formula:  C_{10}H_{18}O_6
! trivial:  triethylene glycol, diacetate
! casrn:    111-21-7
! inchikey: OVOUKWFJRHALDD-UHFFFAOYSA-N
Hvpx_____111_21_7 =  1.5E-08                                  ! [atm] type: Q, ref: 3088

! species:  1-methoxy-2-propyl ethanoate
! formula:  C_6H_{12}O_3
! trivial:  1-methoxy-2-propyl acetate
! casrn:    108-65-6
! inchikey: LLHKCFNBLRBOGN-UHFFFAOYSA-N
Hvpx_____108_65_6 =  1.9E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____108_65_6 =  6.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_65_6 =  2.2E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_65_6 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_65_6 =  2.2E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_65_6 =  5.5E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_65_6 =  8.7E-01                                  ! [atm] type: Q, ref: 2530

! species:  2-ethoxyethyl ethanoate
! formula:  C_6H_{12}O_3
! trivial:  2-ethoxyethyl acetate
! casrn:    111-15-9
! inchikey: SVONRAPFKPVNKG-UHFFFAOYSA-N
Hvpx_____111_15_9 =  1.8E-01                                  ! [atm] type: L, ref: 3518
Hvpx_____111_15_9 =  1.8E-01                                  ! [atm] type: M, ref: 3609
Hvpx_____111_15_9 =  3.7E-01                                  ! [atm] type: M, ref: 3079
Hvpx_____111_15_9 =  1.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____111_15_9 =  7.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_15_9 =  2.2E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_15_9 =  2.2E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_15_9 =  2.2E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_15_9 =  2.9E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_15_9 =  7.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_15_9 =  1.8E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____111_15_9 =  7.8E-02                                  ! [atm] type: ?, ref: 2440

! species:  2-butoxyethyl ethanoate
! formula:  C_8H_{16}O_3
! trivial:  butyl cellosolve acetate
! casrn:    112-07-2
! inchikey: NQBXSWAWVZHKBZ-UHFFFAOYSA-N
Hvpx_____112_07_2 =  3.0E-01                                  ! [atm] type: L, ref: 3518
Hvpx_____112_07_2 =  3.0E-01 * EXP( -25000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2837
Hvpx_____112_07_2 =  8.9E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____112_07_2 =  5.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____112_07_2 =  4.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_07_2 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_07_2 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____112_07_2 =  4.3E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_07_2 =  1.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____112_07_2 =  3.0E-01                                  ! [atm] type: ?, ref: 3586

! species:  2-(2-butoxyethoxy)-ethanol, ethanoate
! formula:  C_{10}H_{20}O_4
! trivial:  
! casrn:    124-17-4
! inchikey: VXQBJTKSVGFQOL-UHFFFAOYSA-N
Hvpx_____124_17_4 =  1.9E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____124_17_4 =  1.9E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____124_17_4 =  5.0E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____124_17_4 =  8.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_17_4 =  7.0E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_17_4 =  5.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____124_17_4 =  1.3E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____124_17_4 =  7.6E-02                                  ! [atm] type: Q, ref: 2530

! species:  1,2-ethanediol, diethanoate
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    111-55-7
! inchikey: JTXMVXSTHSMVQF-UHFFFAOYSA-N
Hvpx_____111_55_7 =  4.6E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____111_55_7 =  4.6E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____111_55_7 =  4.2E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_55_7 =  8.6E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_55_7 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_55_7 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_55_7 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_55_7 =  3.8E-03                                  ! [atm] type: Q, ref: 3579
Hvpx_____111_55_7 =  4.3E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_55_7 =  5.9E-03                                  ! [atm] type: ?, ref: 2440

! species:  geranyl acetate
! formula:  C_{12}H_{20}O_2
! trivial:  
! casrn:    105-87-3
! inchikey: HIGQPQRQIQDZMP-DHZHZOJOSA-N
Hvpx_____105_87_3 =  1.3E+02                                  ! [atm] type: Q, ref: 3088

! species:  linalyl acetate
! formula:  C_{12}H_{20}O_2
! trivial:  
! casrn:    115-95-7
! inchikey: UWKAYLJWKGQEPM-UHFFFAOYSA-N
Hvpx_____115_95_7 =  3.0E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____115_95_7 =  9.4E+01                                  ! [atm] type: Q, ref: 3088

! species:  cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate
! formula:  C_{12}H_{22}O_2
! trivial:  menthyl acetate
! casrn:    16409-45-3
! inchikey: XHXUANMFYXWVNG-UHFFFAOYSA-N
Hvpx___16409_45_3 =  4.6E+01                                  ! [atm] type: Q, ref: 3088

! species:  methyl propanoate
! formula:  C_2H_5COOCH_3
! trivial:  methyl propionate
! casrn:    554-12-1
! inchikey: RJUFJBKOKNCXHH-UHFFFAOYSA-N
Hvpx_____554_12_1 =  9.5E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____554_12_1 =  1.0E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____554_12_1 =  1.0E+01                                  ! [atm] type: M, ref: 3640
Hvpx_____554_12_1 =  9.6E+00                                  ! [atm] type: M, ref: 754
Hvpx_____554_12_1 =  9.0E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____554_12_1 =  8.9E+00                                  ! [atm] type: V, ref: 636
Hvpx_____554_12_1 =  4.2E+00 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx_____554_12_1 =  8.9E+00                                  ! [atm] type: V, ref: 642
Hvpx_____554_12_1 =  1.0E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx_____554_12_1 =  2.5E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____554_12_1 =  2.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____554_12_1 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____554_12_1 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____554_12_1 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____554_12_1 =  1.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____554_12_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____554_12_1 =  9.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____554_12_1 =  1.0E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____554_12_1 =  1.0E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____554_12_1 =  1.4E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____554_12_1 =  1.2E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____554_12_1 =  1.4E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____554_12_1 =  9.6E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____554_12_1 =  1.0E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____554_12_1 =  9.4E+00 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: ?, ref: 510
Hvpx_____554_12_1 =  9.6E+00                                  ! [atm] type: ?, ref: 1500

! species:  methyl 2-hydroxypropanoate
! formula:  C_4H_8O_3
! trivial:  methyl lactate
! casrn:    547-64-8
! inchikey: LPEKGGXMPWTOCB-UHFFFAOYSA-N
Hvpx_____547_64_8 =  6.0E-02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3214
Hvpx_____547_64_8 =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____547_64_8 =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____547_64_8 =  3.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____547_64_8 =  4.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  ethyl propanoate
! formula:  C_2H_5COOC_2H_5
! trivial:  ethyl propionate
! casrn:    105-37-3
! inchikey: FKRCODPIKNYEAC-UHFFFAOYSA-N
Hvpx_____105_37_3 =  1.5E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____105_37_3 =  1.3E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____105_37_3 =  1.3E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3093
Hvpx_____105_37_3 =  1.4E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____105_37_3 =  1.4E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____105_37_3 =  1.4E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____105_37_3 =  1.4E+01                                  ! [atm] type: V, ref: 636
Hvpx_____105_37_3 =  1.5E+01                                  ! [atm] type: V, ref: 1497
Hvpx_____105_37_3 =  1.2E+01                                  ! [atm] type: V, ref: 642
Hvpx_____105_37_3 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____105_37_3 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____105_37_3 =  1.3E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____105_37_3 =  7.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____105_37_3 =  1.2E+01                                  ! [atm] type: Q, ref: 3689
Hvpx_____105_37_3 =  2.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____105_37_3 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_37_3 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_37_3 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_37_3 =  1.2E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____105_37_3 =  2.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____105_37_3 =  1.3E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____105_37_3 =  1.2E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____105_37_3 =  1.6E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____105_37_3 =  1.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____105_37_3 =  1.4E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____105_37_3 =  1.6E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____105_37_3 =  1.6E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____105_37_3 =  1.2E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____105_37_3 =  1.5E+01                                  ! [atm] type: ?, ref: 1500

! species:  propyl propanoate
! formula:  C_2H_5COOC_3H_7
! trivial:  propyl propionate
! casrn:    106-36-5
! inchikey: MCSINKKTEDDPNK-UHFFFAOYSA-N
Hvpx_____106_36_5 =  2.1E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____106_36_5 =  1.9E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____106_36_5 =  2.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____106_36_5 =  2.2E+01                                  ! [atm] type: V, ref: 1497
Hvpx_____106_36_5 =  2.1E+01                                  ! [atm] type: V, ref: 642
Hvpx_____106_36_5 =  6.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_36_5 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_36_5 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_36_5 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_36_5 =  2.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_36_5 =  1.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_36_5 =  2.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_36_5 =  2.1E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____106_36_5 =  1.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_36_5 =  1.4E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_36_5 =  2.1E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____106_36_5 =  2.0E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____106_36_5 =  2.6E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____106_36_5 =  2.2E+01                                  ! [atm] type: ?, ref: 1500

! species:  isopropyl propanoate
! formula:  C_2H_5COOC_3H_7
! trivial:  isopropyl propionate
! casrn:    637-78-5
! inchikey: IJMWOMHMDSDKGK-UHFFFAOYSA-N
Hvpx_____637_78_5 =  3.0E+01                                  ! [atm] type: L, ref: 3616
Hvpx_____637_78_5 =  3.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____637_78_5 =  3.2E+01                                  ! [atm] type: V, ref: 1145
Hvpx_____637_78_5 =  3.2E+01                                  ! [atm] type: V, ref: 642
Hvpx_____637_78_5 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____637_78_5 =  3.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____637_78_5 =  1.8E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____637_78_5 =  2.4E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____637_78_5 =  2.3E+01                                  ! [atm] type: Q, ref: 1145
Hvpx_____637_78_5 =  2.2E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____637_78_5 =  3.2E+01                                  ! [atm] type: ?, ref: 1500

! species:  butyl propanoate
! formula:  C_7H_{14}O_2
! trivial:  butyl propionate
! casrn:    590-01-2
! inchikey: BTMVHUNTONAYDX-UHFFFAOYSA-N
Hvpx_____590_01_2 =  2.5E+01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____590_01_2 =  2.8E+01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____590_01_2 =  2.8E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____590_01_2 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____590_01_2 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____590_01_2 =  2.1E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____590_01_2 =  6.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____590_01_2 =  6.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____590_01_2 =  2.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____590_01_2 =  1.7E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____590_01_2 =  8.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____590_01_2 =  2.3E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____590_01_2 =  1.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____590_01_2 =  3.8E+01                                  ! [atm] type: ?, ref: 2440

! species:  (2-methylpropyl)-propanoate
! formula:  C_7H_{14}O_2
! trivial:  isobutyl propionate
! casrn:    540-42-1
! inchikey: FZXRXKLUIMKDEL-UHFFFAOYSA-N
Hvpx_____540_42_1 =  3.6E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____540_42_1 =  3.6E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____540_42_1 =  1.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____540_42_1 =  3.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____540_42_1 =  8.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____540_42_1 =  2.9E+01                                  ! [atm] type: Q, ref: 984

! species:  {\it tert}-butyl propanoate
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    20487-40-5
! inchikey: JAELLLITIZHOGQ-UHFFFAOYSA-N
Hvpx___20487_40_5 =  7.3E+01                                  ! [atm] type: ?, ref: 3766

! species:  pentyl propanoate
! formula:  C_2H_5COOC_5H_{11}
! trivial:  amyl propionate
! casrn:    624-54-4
! inchikey: TWSRVQVEYJNFKQ-UHFFFAOYSA-N
Hvpx_____624_54_4 =  2.9E+01                                  ! [atm] type: L, ref: 3616
Hvpx_____624_54_4 =  4.7E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____624_54_4 =  3.8E+01                                  ! [atm] type: V, ref: 1497
Hvpx_____624_54_4 =  4.7E+01                                  ! [atm] type: V, ref: 642
Hvpx_____624_54_4 =  6.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____624_54_4 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____624_54_4 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____624_54_4 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____624_54_4 =  4.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____624_54_4 =  2.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____624_54_4 =  4.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____624_54_4 =  3.2E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____624_54_4 =  1.6E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____624_54_4 =  2.5E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____624_54_4 =  3.6E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____624_54_4 =  3.1E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____624_54_4 =  3.8E+01                                  ! [atm] type: ?, ref: 1500

! species:  propanoic acid, 2-hydroxy-, ethyl ester
! formula:  C_5H_{10}O_3
! trivial:  ethyl lactate
! casrn:    97-64-3
! inchikey: LZCLXQDLBQLTDK-UHFFFAOYSA-N
Hvpx______97_64_3 =  3.2E-02                                  ! [atm] type: V, ref: 3586
Hvpx______97_64_3 =  3.2E-02                                  ! [atm] type: V, ref: 3088
Hvpx______97_64_3 =  1.7E-01                                  ! [atm] type: Q, ref: 3586

! species:  ethyl 3-ethoxypropanoate
! formula:  C_7H_{14}O_3
! trivial:  ethyl 3-ethoxypropionate
! casrn:    763-69-9
! inchikey: BHXIWUJLHYHGSJ-UHFFFAOYSA-N
Hvpx_____763_69_9 =  3.6E+01                                  ! [atm] type: ?, ref: 2440

! species:  propanoic acid, 2-phenylethyl ester
! formula:  C_{11}H_{14}O_2
! trivial:  
! casrn:    122-70-3
! inchikey: HVGZQCSMLUDISR-UHFFFAOYSA-N
Hvpx_____122_70_3 =  1.4E+00                                  ! [atm] type: Q, ref: 3088

! species:  methyl butanoate
! formula:  C_3H_7COOCH_3
! trivial:  methyl butyrate
! casrn:    623-42-7
! inchikey: UUIQMZJEGPQKFD-UHFFFAOYSA-N
Hvpx_____623_42_7 =  1.4E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____623_42_7 =  1.3E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____623_42_7 =  1.5E+01                                  ! [atm] type: M, ref: 2371
Hvpx_____623_42_7 =  1.5E+01                                  ! [atm] type: M, ref: 3640
Hvpx_____623_42_7 =  1.1E+01                                  ! [atm] type: M, ref: 754
Hvpx_____623_42_7 =  1.5E+00 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx_____623_42_7 =  1.5E+01                                  ! [atm] type: V, ref: 2388
Hvpx_____623_42_7 =  1.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____623_42_7 =  1.5E+01                                  ! [atm] type: C, ref: 3644
Hvpx_____623_42_7 =  1.2E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____623_42_7 =  1.9E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____623_42_7 =  2.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____623_42_7 =  1.1E+01                                  ! [atm] type: Q, ref: 3689
Hvpx_____623_42_7 =  4.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____623_42_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____623_42_7 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____623_42_7 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____623_42_7 =  2.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____623_42_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____623_42_7 =  1.2E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____623_42_7 =  1.7E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____623_42_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____623_42_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____623_42_7 =  3.7E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____623_42_7 =  1.6E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____623_42_7 =  1.7E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____623_42_7 =  1.1E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____623_42_7 =  1.6E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____623_42_7 =  1.1E+01                                  ! [atm] type: ?, ref: 1500

! species:  ethyl butanoate
! formula:  C_3H_7COOC_2H_5
! trivial:  ethyl butyrate
! casrn:    105-54-4
! inchikey: OBNCKNCVKJNDBV-UHFFFAOYSA-N
Hvpx_____105_54_4 =  2.2E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____105_54_4 =  1.9E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____105_54_4 =  1.9E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3093
Hvpx_____105_54_4 =  2.3E+01                                  ! [atm] type: M, ref: 2371
Hvpx_____105_54_4 =  2.1E+01                                  ! [atm] type: M, ref: 3671
Hvpx_____105_54_4 =  2.6E+01                                  ! [atm] type: M, ref: 3643
Hvpx_____105_54_4 =  2.7E+01                                  ! [atm] type: M, ref: 3670
Hvpx_____105_54_4 =  3.5E+01                                  ! [atm] type: M, ref: 3611
Hvpx_____105_54_4 =  1.4E+01                                  ! [atm] type: M, ref: 3651
Hvpx_____105_54_4 =  2.2E+01                                  ! [atm] type: M, ref: 3647
Hvpx_____105_54_4 =  2.2E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____105_54_4 =  2.2E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____105_54_4 =  4.6E+01                                  ! [atm] type: V, ref: 3642
Hvpx_____105_54_4 =  2.2E+01                                  ! [atm] type: V, ref: 636
Hvpx_____105_54_4 =  2.0E+01                                  ! [atm] type: V, ref: 1497
Hvpx_____105_54_4 =  2.0E+01                                  ! [atm] type: V, ref: 642
Hvpx_____105_54_4 =  2.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____105_54_4 =  2.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____105_54_4 =  2.0E+01                                  ! [atm] type: C, ref: 3644
Hvpx_____105_54_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____105_54_4 =  1.6E-01                                  ! [atm] type: Q, ref: 3521
Hvpx_____105_54_4 =  2.3E+01                                  ! [atm] type: Q, ref: 3025
Hvpx_____105_54_4 =  3.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____105_54_4 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_54_4 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_54_4 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_54_4 =  1.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____105_54_4 =  2.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____105_54_4 =  1.8E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____105_54_4 =  2.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____105_54_4 =  1.9E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____105_54_4 =  1.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____105_54_4 =  1.4E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____105_54_4 =  2.1E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____105_54_4 =  2.0E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____105_54_4 =  2.3E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____105_54_4 =  2.0E+01                                  ! [atm] type: ?, ref: 1500

! species:  propyl butanoate
! formula:  C_3H_7COOC_3H_7
! trivial:  propyl butyrate
! casrn:    105-66-8
! inchikey: HUAZGNHGCJGYNP-UHFFFAOYSA-N
Hvpx_____105_66_8 =  3.1E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____105_66_8 =  2.5E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____105_66_8 =  3.5E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____105_66_8 =  3.4E+01                                  ! [atm] type: V, ref: 1145
Hvpx_____105_66_8 =  2.9E+01                                  ! [atm] type: V, ref: 642
Hvpx_____105_66_8 =  2.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____105_66_8 =  6.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____105_66_8 =  6.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____105_66_8 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_66_8 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_66_8 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_66_8 =  2.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____105_66_8 =  3.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____105_66_8 =  2.0E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____105_66_8 =  2.4E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____105_66_8 =  2.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____105_66_8 =  1.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____105_66_8 =  2.8E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____105_66_8 =  3.0E+01                                  ! [atm] type: Q, ref: 1145
Hvpx_____105_66_8 =  2.5E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____105_66_8 =  3.4E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____105_66_8 =  2.9E+01                                  ! [atm] type: ?, ref: 1500

! species:  2-propyl butanoate
! formula:  C_7H_{14}O_2
! trivial:  isopropyl butyrate
! casrn:    638-11-9
! inchikey: FFOPEPMHKILNIT-UHFFFAOYSA-N
Hvpx_____638_11_9 =  3.0E+01                                  ! [atm] type: L, ref: 3616
Hvpx_____638_11_9 =  2.9E+01                                  ! [atm] type: Q, ref: 3682

! species:  butyl butanoate
! formula:  C_8H_{16}O_2
! trivial:  butyl butyrate
! casrn:    109-21-7
! inchikey: XUPYJHCZDLZNFP-UHFFFAOYSA-N
Hvpx_____109_21_7 =  3.2E+01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____109_21_7 =  3.4E+01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____109_21_7 =  3.8E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____109_21_7 =  5.3E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____109_21_7 =  6.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_21_7 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_21_7 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_21_7 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_21_7 =  2.3E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_21_7 =  1.6E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_21_7 =  5.0E+01                                  ! [atm] type: ?, ref: 2440

! species:  2-methylpropyl butanoate
! formula:  C_8H_{16}O_2
! trivial:  2-methylpropyl butyrate
! casrn:    539-90-2
! inchikey: RGFNRWTWDWVHDD-UHFFFAOYSA-N
Hvpx_____539_90_2 =  4.2E+01                                  ! [atm] type: Q, ref: 2521

! species:  2-methylpropyl 2-methylpropanoate
! formula:  C_8H_{16}O_2
! trivial:  isobutyl isobutyrate
! casrn:    97-85-8
! inchikey: RXGUIWHIADMCFC-UHFFFAOYSA-N
Hvpx______97_85_8 =  7.4E+01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______97_85_8 =  7.0E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx______97_85_8 =  5.4E+01                                  ! [atm] type: M, ref: 2388
Hvpx______97_85_8 =  4.5E+01                                  ! [atm] type: V, ref: 3586
Hvpx______97_85_8 =  7.6E+01                                  ! [atm] type: V, ref: 2388
Hvpx______97_85_8 =  4.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______97_85_8 =  3.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______97_85_8 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______97_85_8 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______97_85_8 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______97_85_8 =  4.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______97_85_8 =  5.3E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______97_85_8 =  7.3E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______97_85_8 =  3.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx______97_85_8 =  4.2E+01                                  ! [atm] type: Q, ref: 984
Hvpx______97_85_8 =  8.0E+01                                  ! [atm] type: ?, ref: 2440
Hvpx______97_85_8 =  7.8E+01                                  ! [atm] type: ?, ref: 1500

! species:  pentyl butanoate
! formula:  C_9H_{18}O_2
! trivial:  pentyl butyrate
! casrn:    540-18-1
! inchikey: CFNJLPHOBMVMNS-UHFFFAOYSA-N
Hvpx_____540_18_1 =  3.3E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____540_18_1 =  5.5E+01                                  ! [atm] type: Q, ref: 3682

! species:  3-methylbutyl butanoate
! formula:  C_9H_{18}O_2
! trivial:  isopentyl butyrate
! casrn:    106-27-4
! inchikey: PQLMXFQTAMDXIZ-UHFFFAOYSA-N
Hvpx_____106_27_4 =  5.2E+01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518

! species:  methyl 2-methylpropanoate
! formula:  C_5H_{10}O_2
! trivial:  methyl isobutyrate
! casrn:    547-63-7
! inchikey: BHIWKHZACMWKOJ-UHFFFAOYSA-N
Hvpx_____547_63_7 =  2.1E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____547_63_7 =  2.1E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____547_63_7 =  1.7E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016

! species:  ethyl 2-methylpropanoate
! formula:  C_6H_{12}O_2
! trivial:  ethyl isobutyrate
! casrn:    97-62-1
! inchikey: WDAXFOBOLVPGLV-UHFFFAOYSA-N
Hvpx______97_62_1 =  3.6E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______97_62_1 =  3.2E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx______97_62_1 =  2.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______97_62_1 =  3.1E+01                                  ! [atm] type: Q, ref: 3731
Hvpx______97_62_1 =  2.3E+01                                  ! [atm] type: ?, ref: 2440

! species:  hexyl butanoate
! formula:  C_{10}H_{20}O_2
! trivial:  hexyl butyrate
! casrn:    2639-63-6
! inchikey: XAPCMTMQBXLDBB-UHFFFAOYSA-N
Hvpx____2639_63_6 =  4.8E+01                                  ! [atm] type: Q, ref: 3682

! species:  cyclohexyl butanoate
! formula:  C_{10}H_{18}O_2
! trivial:  cyclohexyl butyrate
! casrn:    1551-44-6
! inchikey: VZHUBBUZNIULNM-UHFFFAOYSA-N

! species:  3-oxobutanoic acid, methyl ester
! formula:  C_5H_8O_3
! trivial:  methylacetoacetate
! casrn:    105-45-3
! inchikey: WRQNANDWMGAFTP-UHFFFAOYSA-N
Hvpx_____105_45_3 =  8.5E-02                                  ! [atm] type: M, ref: 3609
Hvpx_____105_45_3 =  1.5E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____105_45_3 =  1.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____105_45_3 =  4.7E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____105_45_3 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_45_3 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_45_3 =  7.0E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_45_3 =  3.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____105_45_3 =  6.9E-02                                  ! [atm] type: Q, ref: 2530

! species:  3-oxobutanoic acid, ethyl ester
! formula:  C_6H_{10}O_3
! trivial:  ethylacetoacetate
! casrn:    141-97-9
! inchikey: XYIBRDXRRQCHLP-UHFFFAOYSA-N
Hvpx_____141_97_9 =  6.1E-02 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____141_97_9 =  9.5E-02                                  ! [atm] type: M, ref: 3609
Hvpx_____141_97_9 =  6.6E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____141_97_9 =  3.3E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____141_97_9 =  3.3E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____141_97_9 =  2.3E-02                                  ! [atm] type: Q, ref: 3682
Hvpx_____141_97_9 =  1.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____141_97_9 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_97_9 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_97_9 =  8.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_97_9 =  3.3E-02                                  ! [atm] type: Q, ref: 3579
Hvpx_____141_97_9 =  5.0E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____141_97_9 =  9.7E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____141_97_9 =  6.0E-02                                  ! [atm] type: ?, ref: 2440

! species:  methyl pentanoate
! formula:  C_4H_9COOCH_3
! trivial:  methyl valerate
! casrn:    624-24-8
! inchikey: HNBDRPTVWVGKBR-UHFFFAOYSA-N
Hvpx_____624_24_8 =  1.8E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____624_24_8 =  1.8E+01                                  ! [atm] type: M, ref: 754
Hvpx_____624_24_8 =  5.6E-01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx_____624_24_8 =  1.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____624_24_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____624_24_8 =  1.9E+01                                  ! [atm] type: Q, ref: 3689
Hvpx_____624_24_8 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____624_24_8 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____624_24_8 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____624_24_8 =  2.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____624_24_8 =  1.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____624_24_8 =  1.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____624_24_8 =  1.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____624_24_8 =  2.1E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____624_24_8 =  2.1E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____624_24_8 =  1.8E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____624_24_8 =  1.8E+01                                  ! [atm] type: ?, ref: 1500

! species:  ethyl pentanoate
! formula:  C_4H_9COOC_2H_5
! trivial:  ethyl valerate
! casrn:    539-82-2
! inchikey: ICMAFTSLXCXHRK-UHFFFAOYSA-N
Hvpx_____539_82_2 =  2.3E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____539_82_2 =  3.9E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3650
Hvpx_____539_82_2 =  2.1E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____539_82_2 =  1.9E+01                                  ! [atm] type: V, ref: 1145
Hvpx_____539_82_2 =  2.0E+01                                  ! [atm] type: V, ref: 1497
Hvpx_____539_82_2 =  1.9E+01                                  ! [atm] type: V, ref: 642
Hvpx_____539_82_2 =  2.1E+01                                  ! [atm] type: C, ref: 3650
Hvpx_____539_82_2 =  6.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____539_82_2 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____539_82_2 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____539_82_2 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____539_82_2 =  3.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____539_82_2 =  2.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____539_82_2 =  2.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____539_82_2 =  2.8E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____539_82_2 =  3.0E+01                                  ! [atm] type: Q, ref: 1145
Hvpx_____539_82_2 =  2.5E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____539_82_2 =  2.0E+01                                  ! [atm] type: ?, ref: 1500

! species:  methyl 2,2-dimethylpropanoate
! formula:  C_6H_{12}O_2
! trivial:  methyl pivalate
! casrn:    598-98-1
! inchikey: CNMFHDIDIMZHKY-UHFFFAOYSA-N
Hvpx_____598_98_1 =  5.8E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____598_98_1 =  2.3E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx_____598_98_1 =  1.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____598_98_1 =  1.3E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____598_98_1 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____598_98_1 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____598_98_1 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____598_98_1 =  3.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____598_98_1 =  1.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____598_98_1 =  3.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____598_98_1 =  2.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____598_98_1 =  3.0E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____598_98_1 =  2.4E+01                                  ! [atm] type: ?, ref: 3586

! species:  ethyl 2-methylbutanoate
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    7452-79-1
! inchikey: HCRBXQFHJMCTLF-UHFFFAOYSA-N
Hvpx____7452_79_1 =  4.0E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx____7452_79_1 =  6.1E+01                                  ! [atm] type: M, ref: 1923
Hvpx____7452_79_1 =  2.0E+01                                  ! [atm] type: M, ref: 2389

! species:  ethyl 3-methylbutanoate
! formula:  C_7H_{14}O_2
! trivial:  ethyl isovalerate
! casrn:    108-64-5
! inchikey: PPXUHEORWJQRHJ-UHFFFAOYSA-N
Hvpx_____108_64_5 =  3.8E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_64_5 =  4.0E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____108_64_5 =  5.1E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3215
Hvpx_____108_64_5 =  3.9E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____108_64_5 =  2.5E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____108_64_5 =  1.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_64_5 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_64_5 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_64_5 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_64_5 =  3.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_64_5 =  1.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_64_5 =  3.6E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_64_5 =  3.5E+01                                  ! [atm] type: ?, ref: 2440

! species:  ethyl 2,2-dimethylpropanoate
! formula:  C_7H_{14}O_2
! trivial:  ethyl pivalate
! casrn:    3938-95-2
! inchikey: HHEIMYAXCOIQCJ-UHFFFAOYSA-N
Hvpx____3938_95_2 =  8.5E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx____3938_95_2 =  9.6E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616

! species:  butyl pentanoate
! formula:  C_9H_{18}O_2
! trivial:  butyl valerate
! casrn:    591-68-4
! inchikey: OKJADYKTJJGKDX-UHFFFAOYSA-N
Hvpx_____591_68_4 =  5.6E+01                                  ! [atm] type: L, ref: 3616
Hvpx_____591_68_4 =  2.4E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____591_68_4 =  2.8E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____591_68_4 =  3.5E+01                                  ! [atm] type: ?, ref: 2440

! species:  3-methylbutyl 3-methylbutanoate
! formula:  C_{10}H_{20}O_2
! trivial:  isoamyl isovalerate
! casrn:    659-70-1
! inchikey: XINCECQTMHSORG-UHFFFAOYSA-N
Hvpx_____659_70_1 =  1.4E+02                                  ! [atm] type: ?, ref: 2440

! species:  methyl hexanoate
! formula:  C_5H_{11}COOCH_3
! trivial:  methyl caproate
! casrn:    106-70-7
! inchikey: NUKZAGXMHTUAFE-UHFFFAOYSA-N
Hvpx_____106_70_7 =  2.1E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____106_70_7 =  2.9E+01                                  ! [atm] type: M, ref: 2371
Hvpx_____106_70_7 =  2.0E+01                                  ! [atm] type: M, ref: 754
Hvpx_____106_70_7 =  2.1E-01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 3638
Hvpx_____106_70_7 =  1.0E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____106_70_7 =  2.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_70_7 =  2.0E+01                                  ! [atm] type: Q, ref: 3689
Hvpx_____106_70_7 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_70_7 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_70_7 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_70_7 =  3.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_70_7 =  1.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_70_7 =  2.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_70_7 =  2.4E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_70_7 =  1.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_70_7 =  2.8E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____106_70_7 =  2.7E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____106_70_7 =  2.0E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____106_70_7 =  2.0E+01                                  ! [atm] type: ?, ref: 1500

! species:  ethyl hexanoate
! formula:  C_5H_{11}COOC_2H_5
! trivial:  ethyl caproate
! casrn:    123-66-0
! inchikey: SHZIWNPUGXLXDT-UHFFFAOYSA-N
Hvpx_____123_66_0 =  2.8E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3616
Hvpx_____123_66_0 =  4.0E+01                                  ! [atm] type: M, ref: 2371
Hvpx_____123_66_0 =  3.4E+01                                  ! [atm] type: M, ref: 3651
Hvpx_____123_66_0 =  5.8E+01                                  ! [atm] type: M, ref: 3647
Hvpx_____123_66_0 =  7.9E+01                                  ! [atm] type: V, ref: 3642
Hvpx_____123_66_0 =  3.1E+01                                  ! [atm] type: V, ref: 1497
Hvpx_____123_66_0 =  1.8E-01                                  ! [atm] type: Q, ref: 3521
Hvpx_____123_66_0 =  4.0E+01                                  ! [atm] type: Q, ref: 3025
Hvpx_____123_66_0 =  4.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_66_0 =  3.2E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____123_66_0 =  3.2E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____123_66_0 =  3.1E+01                                  ! [atm] type: ?, ref: 1500

! species:  2-ethylbutanoic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester
! formula:  C_{18}H_{34}O_6
! trivial:  
! casrn:    95-08-9
! inchikey: JEYLQCXBYFQJRO-UHFFFAOYSA-N
Hvpx______95_08_9 =  5.5E-07                                  ! [atm] type: Q, ref: 3088

! species:  methyl heptanoate
! formula:  C_8H_{16}O_2
! trivial:  
! casrn:    106-73-0
! inchikey: XNCNNDVCAUWAIT-UHFFFAOYSA-N
Hvpx_____106_73_0 =  3.0E+01                                  ! [atm] type: L, ref: 3616

! species:  ethyl heptanoate
! formula:  C_6H_{13}COOC_2H_5
! trivial:  
! casrn:    106-30-9
! inchikey: TVQGDYNRXLTQAP-UHFFFAOYSA-N
Hvpx_____106_30_9 =  2.7E+01                                  ! [atm] type: V, ref: 1145
Hvpx_____106_30_9 =  2.7E+01                                  ! [atm] type: V, ref: 1497
Hvpx_____106_30_9 =  2.8E+01                                  ! [atm] type: V, ref: 642
Hvpx_____106_30_9 =  5.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____106_30_9 =  6.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_30_9 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_30_9 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_30_9 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_30_9 =  5.9E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_30_9 =  2.8E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_30_9 =  4.7E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____106_30_9 =  5.3E+01                                  ! [atm] type: Q, ref: 1145
Hvpx_____106_30_9 =  2.6E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____106_30_9 =  2.8E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____106_30_9 =  2.7E+01                                  ! [atm] type: ?, ref: 1500

! species:  methyl octanoate
! formula:  C_6H_{13}COOCH_3
! trivial:  
! casrn:    111-11-5
! inchikey: JGHZJRVDZXSNKQ-UHFFFAOYSA-N
Hvpx_____111_11_5 =  4.7E+01                                  ! [atm] type: L, ref: 3616
Hvpx_____111_11_5 =  5.5E+01                                  ! [atm] type: M, ref: 2371
Hvpx_____111_11_5 =  4.3E+01                                  ! [atm] type: M, ref: 754
Hvpx_____111_11_5 =  5.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____111_11_5 =  2.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_11_5 =  4.3E+01                                  ! [atm] type: Q, ref: 3689
Hvpx_____111_11_5 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_11_5 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_11_5 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_11_5 =  4.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_11_5 =  2.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_11_5 =  1.2E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____111_11_5 =  4.7E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____111_11_5 =  4.9E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____111_11_5 =  4.3E+01                                  ! [atm] type: ?, ref: 3586

! species:  ethyl octanoate
! formula:  C_7H_{15}COOC_2H_5
! trivial:  
! casrn:    106-32-1
! inchikey: YYZUSRORWSJGET-UHFFFAOYSA-N
Hvpx_____106_32_1 =  3.2E+01                                  ! [atm] type: L, ref: 3616
Hvpx_____106_32_1 =  5.0E+01                                  ! [atm] type: M, ref: 2371
Hvpx_____106_32_1 =  4.5E+01                                  ! [atm] type: V, ref: 1497
Hvpx_____106_32_1 =  7.0E+01                                  ! [atm] type: Q, ref: 3025

! species:  octadecanoic acid, 2-methylpropyl ester
! formula:  C_{22}H_{44}O_2
! trivial:  isobutyl stearate
! casrn:    646-13-9
! inchikey: ORFWYUFLWUWSFM-UHFFFAOYSA-N
Hvpx_____646_13_9 =  2.1E+03                                  ! [atm] type: Q, ref: 3088

! species:  octadecanoic acid, butyl ester
! formula:  C_{22}H_{44}O_2
! trivial:  
! casrn:    123-95-5
! inchikey: ULBTUVJTXULMLP-UHFFFAOYSA-N
Hvpx_____123_95_5 =  2.1E+03                                  ! [atm] type: Q, ref: 3088

! species:  methyl nonanoate
! formula:  C_{10}H_{20}O_2
! trivial:  
! casrn:    1731-84-6
! inchikey: IJXHLVMUNBOGRR-UHFFFAOYSA-N
Hvpx____1731_84_6 =  6.7E+01                                  ! [atm] type: L, ref: 3616
Hvpx____1731_84_6 =  7.8E+01                                  ! [atm] type: V, ref: 1497

! species:  ethyl nonanoate
! formula:  C_8H_{17}COOC_2H_5
! trivial:  
! casrn:    123-29-5
! inchikey: BYEVBITUADOIGY-UHFFFAOYSA-N
Hvpx_____123_29_5 =  4.3E+01                                  ! [atm] type: V, ref: 1497

! species:  nonanedioic acid, bis(2-ethylhexyl) ester
! formula:  C_{25}H_{48}O_4
! trivial:  di-2-ethylhexyl azelate
! casrn:    103-24-2
! inchikey: ZDWGXBPVPXVXMQ-UHFFFAOYSA-N
Hvpx_____103_24_2 =  6.6E+00                                  ! [atm] type: Q, ref: 3088

! species:  methyl decanoate
! formula:  C_{11}H_{22}O_2
! trivial:  methyl caprate
! casrn:    110-42-9
! inchikey: YRHYCMZPEVDGFQ-UHFFFAOYSA-N
Hvpx_____110_42_9 =  5.0E+01                                  ! [atm] type: M, ref: 2371
Hvpx_____110_42_9 =  1.1E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____110_42_9 =  4.0E+01                                  ! [atm] type: V, ref: 977
Hvpx_____110_42_9 =  1.7E+02                                  ! [atm] type: V, ref: 1497
Hvpx_____110_42_9 =  1.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_42_9 =  9.4E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____110_42_9 =  7.1E+01                                  ! [atm] type: Q, ref: 2521

! species:  ethyl decanoate
! formula:  C_9H_{19}COOC_2H_5
! trivial:  
! casrn:    110-38-3
! inchikey: RGXWDWUGBIJHDO-UHFFFAOYSA-N
Hvpx_____110_38_3 =  4.4E+01                                  ! [atm] type: L, ref: 3616
Hvpx_____110_38_3 =  4.0E+01                                  ! [atm] type: M, ref: 2371
Hvpx_____110_38_3 =  3.1E+01                                  ! [atm] type: V, ref: 1497

! species:  decanedioic acid, diethyl ester
! formula:  C_{14}H_{26}O_4
! trivial:  diethyl sebacate
! casrn:    110-40-7
! inchikey: ONKUXPIBXRRIDU-UHFFFAOYSA-N
Hvpx_____110_40_7 =  2.0E-01                                  ! [atm] type: ?, ref: 3393

! species:  methyl dodecanoate
! formula:  C_{13}H_{26}O_2
! trivial:  methyl laurate
! casrn:    111-82-0
! inchikey: UQDUPQYQJKYHQI-UHFFFAOYSA-N
Hvpx_____111_82_0 =  6.6E+01                                  ! [atm] type: V, ref: 977
Hvpx_____111_82_0 =  7.3E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____111_82_0 =  1.7E+02                                  ! [atm] type: Q, ref: 3088
Hvpx_____111_82_0 =  1.1E+02                                  ! [atm] type: Q, ref: 2521

! species:  ethyl dodecanoate
! formula:  C_{14}H_{28}O_2
! trivial:  ethyl laurate
! casrn:    106-33-2
! inchikey: MMXKVMNBHPAILY-UHFFFAOYSA-N
Hvpx_____106_33_2 =  7.1E+01                                  ! [atm] type: V, ref: 977
Hvpx_____106_33_2 =  1.8E+02                                  ! [atm] type: Q, ref: 2521

! species:  propyl dodecanoate
! formula:  C_{15}H_{30}O_2
! trivial:  propyl laurate
! casrn:    3681-78-5
! inchikey: FTBUKOLPOATXGV-UHFFFAOYSA-N
Hvpx____3681_78_5 =  7.1E+01                                  ! [atm] type: V, ref: 977
Hvpx____3681_78_5 =  2.6E+02                                  ! [atm] type: Q, ref: 2521

! species:  2-hydroxypropyl dodecanoate
! formula:  C_{15}H_{30}O_3
! trivial:  
! casrn:    142-55-2
! inchikey: BHIZVZJETFVJMJ-UHFFFAOYSA-N
Hvpx_____142_55_2 =  5.8E+00                                  ! [atm] type: ?, ref: 3766

! species:  dodecanoic acid, 2-hydroxy-1-methylethyl ester
! formula:  C_{15}H_{30}O_3
! trivial:  
! casrn:    107328-11-0
! inchikey: SVWZGNLBKFWCMV-UHFFFAOYSA-N
Hvpx__107328_11_0 =  2.1E-02                                  ! [atm] type: ?, ref: 3766

! species:  butyl dodecanoate
! formula:  C_{16}H_{32}O_2
! trivial:  butyl laurate
! casrn:    106-18-3
! inchikey: NDKYEUQMPZIGFN-UHFFFAOYSA-N
Hvpx_____106_18_3 =  7.6E+01                                  ! [atm] type: V, ref: 977
Hvpx_____106_18_3 =  3.6E+02                                  ! [atm] type: Q, ref: 2521

! species:  2-ethylhexyl dodecanoate
! formula:  C_{20}H_{40}O_2
! trivial:  2-ethylhexyl laurate
! casrn:    20292-08-4
! inchikey: LWLRMRFJCCMNML-UHFFFAOYSA-N
Hvpx___20292_08_4 =  1.8E+02                                  ! [atm] type: V, ref: 977
Hvpx___20292_08_4 =  6.3E+02                                  ! [atm] type: Q, ref: 2521

! species:  methyl tetradecanoate
! formula:  C_{15}H_{30}O_2
! trivial:  methyl myristate
! casrn:    124-10-7
! inchikey: ZAZKJZBWRNNLDS-UHFFFAOYSA-N
Hvpx_____124_10_7 =  1.1E+02                                  ! [atm] type: V, ref: 977
Hvpx_____124_10_7 =  2.9E+02                                  ! [atm] type: Q, ref: 3088
Hvpx_____124_10_7 =  1.8E+02                                  ! [atm] type: Q, ref: 2521

! species:  methyl hexadecanoate
! formula:  C_{17}H_{34}O_2
! trivial:  methyl palmitate
! casrn:    112-39-0
! inchikey: FLIACVVOZYBSBS-UHFFFAOYSA-N
Hvpx_____112_39_0 =  1.9E+02                                  ! [atm] type: V, ref: 977
Hvpx_____112_39_0 =  5.0E+02                                  ! [atm] type: Q, ref: 3088
Hvpx_____112_39_0 =  3.0E+02                                  ! [atm] type: Q, ref: 2521

! species:  isopropyl palmitate
! formula:  C_{19}H_{38}O_2
! trivial:  
! casrn:    142-91-6
! inchikey: XUGNVMKQXJXZCD-UHFFFAOYSA-N
Hvpx_____142_91_6 =  2.6E+03                                  ! [atm] type: Q, ref: 3088

! species:  ascorbic palmitate
! formula:  C_{22}H_{38}O_7
! trivial:  
! casrn:    137-66-6
! inchikey: QAQJMLQRFWZOBN-LAUBAEHRSA-N
Hvpx_____137_66_6 =  7.7E-03                                  ! [atm] type: Q, ref: 3088

! species:  methyl octadecanoate
! formula:  C_{19}H_{38}O_2
! trivial:  methyl stearate
! casrn:    112-61-8
! inchikey: HPEUJPJOZXNMSJ-UHFFFAOYSA-N
Hvpx_____112_61_8 =  3.2E+02                                  ! [atm] type: V, ref: 977
Hvpx_____112_61_8 =  8.9E+02                                  ! [atm] type: Q, ref: 3088
Hvpx_____112_61_8 =  5.1E+02                                  ! [atm] type: Q, ref: 2521

! species:  methyl eicosanoate
! formula:  C_{21}H_{42}O_2
! trivial:  methyl arachidate
! casrn:    1120-28-1
! inchikey: QGBRLVONZXHAKJ-UHFFFAOYSA-N
Hvpx____1120_28_1 =  5.5E+02                                  ! [atm] type: V, ref: 977

! species:  methyl docosanoate
! formula:  C_{23}H_{46}O_2
! trivial:  methyl behenate
! casrn:    929-77-1
! inchikey: QSQLTHHMFHEFIY-UHFFFAOYSA-N
Hvpx_____929_77_1 =  9.3E+02                                  ! [atm] type: V, ref: 977

! species:  cyclopropanecarboxylic acid, methyl ester
! formula:  C_5H_8O_2
! trivial:  
! casrn:    2868-37-3
! inchikey: PKAHQJNJPDVTDP-UHFFFAOYSA-N
Hvpx____2868_37_3 =  1.3E+00 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx____2868_37_3 =  4.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx____2868_37_3 =  3.8E+00                                  ! [atm] type: Q, ref: 2543

! species:  cyclohexanecarboxylic acid, methyl ester
! formula:  C_6H_{11}COOCH_3
! trivial:  
! casrn:    4630-82-4
! inchikey: ZQWPRMPSCMSAJU-UHFFFAOYSA-N
Hvpx____4630_82_4 =  5.1E+00 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx____4630_82_4 =  4.9E+00                                  ! [atm] type: Q, ref: 2543

! species:  ($Z$,$Z$,$Z$)-9,12,15-octadecatrienoic acid, methyl ester
! formula:  C_{19}H_{32}O_2
! trivial:  methyl linolenate
! casrn:    301-00-8
! inchikey: DVWSXZIHSUZZKJ-YSTUJMKBSA-N
Hvpx_____301_00_8 =  2.0E+00                                  ! [atm] type: V, ref: 977
Hvpx_____301_00_8 =  7.6E+01                                  ! [atm] type: Q, ref: 2521

! species:  ($Z$,$Z$)-9,12-octadecadienoic acid, methyl ester
! formula:  C_{19}H_{34}O_2
! trivial:  methyl linolate
! casrn:    112-63-0
! inchikey: WTTJVINHCBCLGX-NQLNTKRDSA-N
Hvpx_____112_63_0 =  8.7E+00                                  ! [atm] type: V, ref: 977
Hvpx_____112_63_0 =  1.1E+02                                  ! [atm] type: Q, ref: 2521

! species:  ($Z$)-9-octadecenoic acid, methyl ester
! formula:  C_{19}H_{36}O_2
! trivial:  methyl oleate
! casrn:    112-62-9
! inchikey: QYDYPVFESGNLHU-KHPPLWFESA-N
Hvpx_____112_62_9 =  4.4E+01                                  ! [atm] type: V, ref: 977
Hvpx_____112_62_9 =  7.7E+02                                  ! [atm] type: Q, ref: 3088
Hvpx_____112_62_9 =  2.2E+02                                  ! [atm] type: Q, ref: 2521

! species:  ($Z$)-13-docosenoic acid, methyl ester
! formula:  C_{23}H_{44}O_2
! trivial:  methyl erucate
! casrn:    1120-34-9
! inchikey: ZYNDJIBBPLNPOW-KHPPLWFESA-N
Hvpx____1120_34_9 =  1.0E+02                                  ! [atm] type: V, ref: 977
Hvpx____1120_34_9 =  6.6E+02                                  ! [atm] type: Q, ref: 2521

! species:  {\it trans}-quercus lactone
! formula:  C_9H_{16}O_2
! trivial:  {\it trans}-whisky lactone
! casrn:    105119-22-0
! inchikey: WNVCMFHPRIBNCW-SFYZADRCSA-N
Hvpx__105119_22_0 =  1.5E-02                                  ! [atm] type: Q, ref: 3521

! species:  $\gamma$-decalactone
! formula:  C_{10}H_{18}O_2
! trivial:  
! casrn:    706-14-9
! inchikey: IFYYFLINQYPWGJ-UHFFFAOYSA-N
Hvpx_____706_14_9 =  1.0E-02                                  ! [atm] type: Q, ref: 3521

! species:  $\gamma$-dodecalactone
! formula:  C_{12}H_{22}O_2
! trivial:  
! casrn:    2305-05-7
! inchikey: WGPCZPLRVAWXPW-UHFFFAOYSA-N
Hvpx____2305_05_7 =  1.5E-02                                  ! [atm] type: Q, ref: 3521

! species:  oxacyclohexadecan-2-one
! formula:  C_{15}H_{28}O_2
! trivial:  pentadecalactone
! casrn:    106-02-5
! inchikey: FKUPPRZPSYCDRS-UHFFFAOYSA-N
Hvpx_____106_02_5 =  1.4E+02                                  ! [atm] type: M, ref: 2388
Hvpx_____106_02_5 =  7.2E+00                                  ! [atm] type: V, ref: 2388

! species:  2-{\it tert}-butylcyclohexyl acetate
! formula:  C_{12}H_{22}O_2
! trivial:  
! casrn:    88-41-5
! inchikey: FINOAUDUYKVGDS-UHFFFAOYSA-N
Hvpx______88_41_5 =  5.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______88_41_5 =  1.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______88_41_5 =  1.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______88_41_5 =  7.8E+01                                  ! [atm] type: Q, ref: 2995

! species:  hedione
! formula:  C_{13}H_{22}O_3
! trivial:  
! casrn:    24851-98-7
! inchikey: KVWWIYGFBYDJQC-UHFFFAOYSA-N
Hvpx___24851_98_7 =  7.8E-03                                  ! [atm] type: Q, ref: 3682

! species:  ethylene brassylate
! formula:  C_{15}H_{26}O_4
! trivial:  
! casrn:    105-95-3
! inchikey: XRHCAGNSDHCHFJ-UHFFFAOYSA-N
Hvpx_____105_95_3 =  1.0E-02                                  ! [atm] type: Q, ref: 3682

! species:  propyl 3-oxo-2-pentylcyclopentaneacetate
! formula:  C_{15}H_{26}O_3
! trivial:  
! casrn:    158474-72-7
! inchikey: IPDFPNNPBMREIF-UHFFFAOYSA-N
Hvpx__158474_72_7 =  3.9E-02                                  ! [atm] type: ?, ref: 3766

! species:  2-ethyl-3-oxo-butanoic acid, ethyl ester
! formula:  C_8H_{14}O_3
! trivial:  
! casrn:    607-97-6
! inchikey: OKANYBNORCUPKZ-UHFFFAOYSA-N
Hvpx_____607_97_6 =  1.6E-01                                  ! [atm] type: Q, ref: 2521

! species:  2-hydroxypropanoic acid, butyl ester
! formula:  C_7H_{14}O_3
! trivial:  
! casrn:    138-22-7
! inchikey: MRABAEUHTLLEML-UHFFFAOYSA-N
Hvpx_____138_22_7 =  1.1E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____138_22_7 =  2.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____138_22_7 =  1.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____138_22_7 =  2.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____138_22_7 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____138_22_7 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____138_22_7 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____138_22_7 =  8.5E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____138_22_7 =  1.3E-02                                  ! [atm] type: Q, ref: 2530

! species:  methyl propenoate
! formula:  C_4H_6O_2
! trivial:  methyl acrylate
! casrn:    96-33-3
! inchikey: BAPJBEWLBFYGME-UHFFFAOYSA-N
Hvpx______96_33_3 =  1.1E+01                                  ! [atm] type: V, ref: 3586
Hvpx______96_33_3 =  1.1E+01                                  ! [atm] type: V, ref: 3088
Hvpx______96_33_3 =  1.0E+01                                  ! [atm] type: V, ref: 2613
Hvpx______96_33_3 =  1.0E+01                                  ! [atm] type: V, ref: 636
Hvpx______96_33_3 =  9.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______96_33_3 =  8.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______96_33_3 =  7.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx______96_33_3 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______96_33_3 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______96_33_3 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______96_33_3 =  9.0E+00                                  ! [atm] type: Q, ref: 3579
Hvpx______96_33_3 =  1.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______96_33_3 =  7.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______96_33_3 =  1.0E+01                                  ! [atm] type: ?, ref: 2440

! species:  ethyl propenoate
! formula:  C_5H_8O_2
! trivial:  ethyl acrylate
! casrn:    140-88-5
! inchikey: JIGUQPWFLRLWPJ-UHFFFAOYSA-N
Hvpx_____140_88_5 =  1.4E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____140_88_5 =  1.9E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____140_88_5 =  1.9E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____140_88_5 =  1.9E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____140_88_5 =  1.9E+01                                  ! [atm] type: V, ref: 636
Hvpx_____140_88_5 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____140_88_5 =  1.2E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____140_88_5 =  2.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____140_88_5 =  6.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____140_88_5 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____140_88_5 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____140_88_5 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____140_88_5 =  1.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____140_88_5 =  1.0E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____140_88_5 =  6.2E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____140_88_5 =  1.4E+01                                  ! [atm] type: ?, ref: 2440

! species:  2-propenoic acid, butyl ester
! formula:  C_7H_{12}O_2
! trivial:  butyl acrylate
! casrn:    141-32-2
! inchikey: CQEYYJKEWSMYFG-UHFFFAOYSA-N
Hvpx_____141_32_2 =  3.6E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____141_32_2 =  2.5E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____141_32_2 =  1.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____141_32_2 =  2.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____141_32_2 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_32_2 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_32_2 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_32_2 =  2.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____141_32_2 =  1.3E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____141_32_2 =  1.0E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____141_32_2 =  3.2E+01                                  ! [atm] type: ?, ref: 2440

! species:  2-propenoic acid, 2-methylpropyl ester
! formula:  C_7H_{12}O_2
! trivial:  isobutyl acrylate
! casrn:    106-63-8
! inchikey: CFVWNXQPGQOHRJ-UHFFFAOYSA-N
Hvpx_____106_63_8 =  4.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____106_63_8 =  3.3E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____106_63_8 =  4.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_63_8 =  3.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_63_8 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_63_8 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_63_8 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_63_8 =  2.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_63_8 =  1.6E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_63_8 =  1.4E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____106_63_8 =  3.8E+01                                  ! [atm] type: ?, ref: 2440

! species:  2-propenoic acid, 2-ethylhexyl ester
! formula:  C_{11}H_{20}O_2
! trivial:  2-ethylhexyl acrylate
! casrn:    103-11-7
! inchikey: GOXQRTZXKQZDDN-UHFFFAOYSA-N
Hvpx_____103_11_7 =  2.4E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____103_11_7 =  2.4E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____103_11_7 =  2.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____103_11_7 =  4.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____103_11_7 =  8.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____103_11_7 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____103_11_7 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____103_11_7 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____103_11_7 =  1.9E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____103_11_7 =  4.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____103_11_7 =  2.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____103_11_7 =  2.7E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____103_11_7 =  2.4E+01                                  ! [atm] type: ?, ref: 2440

! species:  2-propenoic acid, 2-hydroxyethyl ester
! formula:  C_5H_8O_3
! trivial:  2-hydroxyethyl acrylate
! casrn:    818-61-1
! inchikey: OMIGHNLMNHATMP-UHFFFAOYSA-N
Hvpx_____818_61_1 =  4.4E-04                                  ! [atm] type: V, ref: 3088

! species:  2-methyl-2-propenoic acid, ethyl ester
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    97-63-2
! inchikey: SUPCQIBBMFXVTL-UHFFFAOYSA-N
Hvpx______97_63_2 =  3.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx______97_63_2 =  3.2E+01                                  ! [atm] type: V, ref: 3088
Hvpx______97_63_2 =  3.4E+01                                  ! [atm] type: C, ref: 2521
Hvpx______97_63_2 =  6.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______97_63_2 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______97_63_2 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______97_63_2 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______97_63_2 =  1.9E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______97_63_2 =  1.6E+01                                  ! [atm] type: Q, ref: 2530

! species:  2-methyl-2-propenoic acid, 2-propenyl ester
! formula:  C_7H_{10}O_2
! trivial:  allyl methacrylate
! casrn:    96-05-9
! inchikey: FBCQUCJYYPMKRO-UHFFFAOYSA-N
Hvpx______96_05_9 =  2.3E+01                                  ! [atm] type: Q, ref: 3088

! species:  2-methyl-2-propenoic acid, oxiranylmethyl ester
! formula:  C_7H_{10}O_3
! trivial:  glycidyl methacrylate
! casrn:    106-91-2
! inchikey: VOZRXNHHFUQHIL-UHFFFAOYSA-N
Hvpx_____106_91_2 =  1.7E-02                                  ! [atm] type: Q, ref: 3088

! species:  allyl acetoacetate
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    1118-84-9
! inchikey: AXLMPTNTPOWPLT-UHFFFAOYSA-N
Hvpx____1118_84_9 =  4.4E-02                                  ! [atm] type: ?, ref: 3766

! species:  2-methyl-2-propenoic acid, propyl ester
! formula:  C_7H_{12}O_2
! trivial:  propyl methacrylate
! casrn:    2210-28-8
! inchikey: NHARPDSAXCBDDR-UHFFFAOYSA-N
Hvpx____2210_28_8 =  3.1E+01                                  ! [atm] type: Q, ref: 3088

! species:  2-methyl-2-propenoic acid, butyl ester
! formula:  C_8H_{14}O_2
! trivial:  butyl methacrylate
! casrn:    97-88-1
! inchikey: SOGAXMICEFXMKE-UHFFFAOYSA-N
Hvpx______97_88_1 =  2.7E+01                                  ! [atm] type: V, ref: 3586
Hvpx______97_88_1 =  2.8E+01                                  ! [atm] type: V, ref: 3088
Hvpx______97_88_1 =  5.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______97_88_1 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______97_88_1 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______97_88_1 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______97_88_1 =  3.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______97_88_1 =  1.4E+01                                  ! [atm] type: Q, ref: 2530

! species:  2-methyl-2-propenoic acid, 2-methylpropyl ester
! formula:  C_8H_{14}O_2
! trivial:  
! casrn:    97-86-9
! inchikey: RUMACXVDVNRZJZ-UHFFFAOYSA-N
Hvpx______97_86_9 =  2.9E+01                                  ! [atm] type: V, ref: 3586
Hvpx______97_86_9 =  2.9E+01                                  ! [atm] type: V, ref: 3088
Hvpx______97_86_9 =  1.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______97_86_9 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______97_86_9 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______97_86_9 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______97_86_9 =  2.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______97_86_9 =  2.0E+01                                  ! [atm] type: Q, ref: 2530

! species:  2-methyl-2-propenoic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester
! formula:  C_{14}H_{22}O_6
! trivial:  
! casrn:    109-16-0
! inchikey: HWSSEYVMGDIFMH-UHFFFAOYSA-N
Hvpx_____109_16_0 =  9.4E-08                                  ! [atm] type: Q, ref: 3088

! species:  methyl methacrylate
! formula:  C_5H_8O_2
! trivial:  
! casrn:    80-62-6
! inchikey: VVQNEPGJFQJSBK-UHFFFAOYSA-N
Hvpx______80_62_6 =  1.9E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______80_62_6 =  1.3E+01 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______80_62_6 =  1.8E+01                                  ! [atm] type: V, ref: 3586
Hvpx______80_62_6 =  1.8E+01                                  ! [atm] type: V, ref: 3088
Hvpx______80_62_6 =  1.8E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: V, ref: 3523
Hvpx______80_62_6 =  1.8E+01                                  ! [atm] type: V, ref: 2613
Hvpx______80_62_6 =  1.8E+01                                  ! [atm] type: V, ref: 477
Hvpx______80_62_6 =  1.8E+01                                  ! [atm] type: V, ref: 636
Hvpx______80_62_6 =  2.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______80_62_6 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______80_62_6 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______80_62_6 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______80_62_6 =  1.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______80_62_6 =  1.6E+01                                  ! [atm] type: Q, ref: 2530

! species:  ($E$)-3-hexenyl ethanoate
! formula:  C_8H_{14}O_2
! trivial:  
! casrn:    3681-82-1
! inchikey: NPFVOOAXDOBMCE-SNAWJCMRSA-N
Hvpx____3681_82_1 =  1.7E+01                                  ! [atm] type: M, ref: 1922

! species:  ($Z$)-3-hexenyl ethanoate
! formula:  C_8H_{14}O_2
! trivial:  
! casrn:    3681-71-8
! inchikey: NPFVOOAXDOBMCE-PLNGDYQASA-N
Hvpx____3681_71_8 =  1.8E+01                                  ! [atm] type: M, ref: 1922

! species:  ethenyl ethanoate
! formula:  CH_3COOCHCH_2
! trivial:  vinyl acetate
! casrn:    108-05-4
! inchikey: XTXRWKRVRITETP-UHFFFAOYSA-N
Hvpx_____108_05_4 =  2.7E+01 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____108_05_4 =  2.7E+01 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____108_05_4 =  2.7E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_05_4 =  2.7E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3302
Hvpx_____108_05_4 =  2.8E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____108_05_4 =  2.7E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: V, ref: 3523
Hvpx_____108_05_4 =  3.3E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____108_05_4 =  2.7E+01                                  ! [atm] type: V, ref: 477
Hvpx_____108_05_4 =  3.3E+01                                  ! [atm] type: V, ref: 636
Hvpx_____108_05_4 =  2.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_05_4 =  2.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_05_4 =  3.2E+01                                  ! [atm] type: X, ref: usepa82
Hvpx_____108_05_4 =  3.3E+01 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____108_05_4 =  4.6E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____108_05_4 =  9.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_05_4 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_05_4 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_05_4 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_05_4 =  2.4E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_05_4 =  8.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_05_4 =  8.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_05_4 =  2.8E+01                                  ! [atm] type: ?, ref: 2440

! species:  (7$E$,9$Z$)-dodecadienyl acetate
! formula:  C_{14}H_{24}O_2
! trivial:  
! casrn:    54364-62-4
! inchikey: LLRZUAWETKPZJO-SCFJQAPRSA-N
Hvpx___54364_62_4 =  4.6E+01                                  ! [atm] type: ?, ref: 3766

! species:  (9$Z$,12$E$)-9,12-tetradecadienyl acetate
! formula:  C_{16}H_{28}O_2
! trivial:  
! casrn:    30507-70-1
! inchikey: ZZGJZGSVLNSDPG-FDTUMDBZSA-N
Hvpx___30507_70_1 =  3.2E+00                                  ! [atm] type: ?, ref: 3766

! species:  isoambrettolide
! formula:  C_{16}H_{28}O_2
! trivial:  
! casrn:    28645-51-4
! inchikey: QILMAYXCYBTEDM-IWQZZHSRSA-N
Hvpx___28645_51_4 =  2.2E-01                                  ! [atm] type: Q, ref: 3682

! species:  vetyveryl acetate
! formula:  C_{17}H_{26}O_2
! trivial:  
! casrn:    117-98-6
! inchikey: UAVFEMBKDRODDE-UHFFFAOYSA-N
Hvpx_____117_98_6 =  2.5E-01                                  ! [atm] type: Q, ref: 3682

! species:  hydroprene
! formula:  C_{17}H_{30}O_2
! trivial:  
! casrn:    41096-46-2
! inchikey: FYQGBXGJFWXIPP-UEVLXMDPSA-N
Hvpx___41096_46_2 =  1.1E+01                                  ! [atm] type: ?, ref: 3766

! species:  empenthrin
! formula:  C_{18}H_{26}O_2
! trivial:  
! casrn:    54406-48-3
! inchikey: YUGWDVYLFSETPE-UHFFFAOYSA-N
Hvpx___54406_48_3 =  1.9E+01                                  ! [atm] type: ?, ref: 3766

! species:  3-(4-methoxyphenyl)-2-propenoic acid, 2-ethylhexyl ester
! formula:  C_{18}H_{26}O_3
! trivial:  octinoxate
! casrn:    5466-77-3
! inchikey: YBGZDTIWKVFICR-JLHYYAGUSA-N
Hvpx____5466_77_3 =  4.7E-01                                  ! [atm] type: Q, ref: 3088

! species:  kinoprene
! formula:  C_{18}H_{28}O_2
! trivial:  
! casrn:    42588-37-4
! inchikey: FZRBKIRIBLNOAM-WHVZTFIZSA-N
Hvpx___42588_37_4 =  3.0E+00                                  ! [atm] type: ?, ref: 3766

! species:  allethrin
! formula:  C_{19}H_{26}O_3
! trivial:  
! casrn:    584-79-2
! inchikey: ZCVAOQKBXKSDMS-UHFFFAOYSA-N
Hvpx_____584_79_2 =  9.2E-03                                  ! [atm] type: ?, ref: 3766

! species:  S-methoprene
! formula:  C_{19}H_{34}O_3
! trivial:  
! casrn:    65733-16-6
! inchikey: NFGXHKASABOEEW-GYMWBFJFSA-N
Hvpx___65733_16_6 =  3.6E-01                                  ! [atm] type: ?, ref: 3766

! species:  methyl benzoate
! formula:  C_6H_5COOCH_3
! trivial:  
! casrn:    93-58-3
! inchikey: QPJVMBTYPHYUOC-UHFFFAOYSA-N
Hvpx______93_58_3 =  1.9E+00 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______93_58_3 =  1.8E+00                                  ! [atm] type: V, ref: 3586
Hvpx______93_58_3 =  1.8E+00                                  ! [atm] type: V, ref: 3088
Hvpx______93_58_3 =  1.9E+00                                  ! [atm] type: V, ref: 2613
Hvpx______93_58_3 =  1.9E+00                                  ! [atm] type: V, ref: 636
Hvpx______93_58_3 =  2.0E+00                                  ! [atm] type: V, ref: 1145
Hvpx______93_58_3 =  9.8E-01                                  ! [atm] type: V, ref: 642
Hvpx______93_58_3 =  1.8E+00                                  ! [atm] type: R, ref: 1501
Hvpx______93_58_3 =  9.5E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx______93_58_3 =  1.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______93_58_3 =  2.1E+00                                  ! [atm] type: Q, ref: 3682
Hvpx______93_58_3 =  3.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______93_58_3 =  1.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______93_58_3 =  1.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______93_58_3 =  5.8E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______93_58_3 =  8.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______93_58_3 =  1.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______93_58_3 =  3.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______93_58_3 =  1.7E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______93_58_3 =  8.1E-01                                  ! [atm] type: Q, ref: 3731
Hvpx______93_58_3 =  5.1E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______93_58_3 =  1.8E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______93_58_3 =  9.8E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______93_58_3 =  1.9E+00                                  ! [atm] type: Q, ref: 1145
Hvpx______93_58_3 =  2.0E+00                                  ! [atm] type: Q, ref: 2482
Hvpx______93_58_3 =  1.9E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______93_58_3 =  9.8E-01                                  ! [atm] type: ?, ref: 1500

! species:  ethyl benzoate
! formula:  C_6H_5COOC_2H_5
! trivial:  
! casrn:    93-89-0
! inchikey: MTZQAGJQAFMTAQ-UHFFFAOYSA-N
Hvpx______93_89_0 =  3.2E+00 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______93_89_0 =  4.1E+00                                  ! [atm] type: V, ref: 3586
Hvpx______93_89_0 =  5.6E+00                                  ! [atm] type: V, ref: 2613
Hvpx______93_89_0 =  5.6E+00                                  ! [atm] type: V, ref: 636
Hvpx______93_89_0 =  2.9E+00                                  ! [atm] type: R, ref: 1501
Hvpx______93_89_0 =  4.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______93_89_0 =  3.7E+00                                  ! [atm] type: Q, ref: 3682
Hvpx______93_89_0 =  1.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______93_89_0 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______93_89_0 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______93_89_0 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______93_89_0 =  2.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______93_89_0 =  2.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______93_89_0 =  1.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______93_89_0 =  1.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______93_89_0 =  2.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______93_89_0 =  3.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______93_89_0 =  2.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______93_89_0 =  8.2E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______93_89_0 =  1.1E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______93_89_0 =  2.5E+00                                  ! [atm] type: Q, ref: 984
Hvpx______93_89_0 =  4.0E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______93_89_0 =  2.9E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-hydroxybenzoic acid methyl ester
! formula:  C_8H_8O_3
! trivial:  methyl salicylate
! casrn:    119-36-8
! inchikey: OSWPMRLSEDHDFF-UHFFFAOYSA-N
Hvpx_____119_36_8 =  3.4E-01 * EXP(  -9500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____119_36_8 =  1.7E+00                                  ! [atm] type: M, ref: 3555
Hvpx_____119_36_8 =  5.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____119_36_8 =  5.1E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____119_36_8 =  7.0E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____119_36_8 =  3.1E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____119_36_8 =  5.9E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____119_36_8 =  5.4E+00                                  ! [atm] type: ?, ref: 3393
Hvpx_____119_36_8 =  5.4E-01                                  ! [atm] type: ?, ref: 2440

! species:  benzoic acid, 4-methyl-, methyl ester
! formula:  C_9H_{10}O_2
! trivial:  
! casrn:    99-75-2
! inchikey: QSSJZLPUHJDYKF-UHFFFAOYSA-N
Hvpx______99_75_2 =  2.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______99_75_2 =  1.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______99_75_2 =  3.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______99_75_2 =  1.6E+00                                  ! [atm] type: Q, ref: 2995

! species:  acetylsalicylic acid 
! formula:  C_9H_8O_4
! trivial:  aspirin
! casrn:    50-78-2
! inchikey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Hvpx______50_78_2 =  7.2E-05                                  ! [atm] type: V, ref: 3586
Hvpx______50_78_2 =  3.7E-05                                  ! [atm] type: Q, ref: 3586
Hvpx______50_78_2 =  3.6E-06                                  ! [atm] type: Q, ref: 3627
Hvpx______50_78_2 =  8.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______50_78_2 =  1.1E-05                                  ! [atm] type: Q, ref: 2546
Hvpx______50_78_2 =  7.0E-05                                  ! [atm] type: Q, ref: 2546

! species:  1,4-benzenedicarboxylic acid, dimethyl ester
! formula:  C_{10}H_{10}O_4
! trivial:  
! casrn:    120-61-6
! inchikey: WOZVHXUHUFLZGK-UHFFFAOYSA-N
Hvpx_____120_61_6 =  7.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____120_61_6 =  7.2E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____120_61_6 =  2.5E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____120_61_6 =  1.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_61_6 =  4.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_61_6 =  1.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_61_6 =  5.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_61_6 =  2.2E-01                                  ! [atm] type: Q, ref: 2530

! species:  butyl benzoate
! formula:  C_{11}H_{14}O_2
! trivial:  
! casrn:    136-60-7
! inchikey: XSIFPSYPOVKYCO-UHFFFAOYSA-N
Hvpx_____136_60_7 =  2.2E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____136_60_7 =  5.4E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____136_60_7 =  9.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____136_60_7 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____136_60_7 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____136_60_7 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____136_60_7 =  4.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____136_60_7 =  5.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____136_60_7 =  1.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____136_60_7 =  1.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____136_60_7 =  6.6E+00                                  ! [atm] type: Q, ref: 2530

! species:  diphenyl carbonate
! formula:  C_{13}H_{10}O_3
! trivial:  
! casrn:    102-09-0
! inchikey: ROORDVPLFPIABK-UHFFFAOYSA-N
Hvpx_____102_09_0 =  4.7E+00                                  ! [atm] type: Q, ref: 3088
Hvpx_____102_09_0 =  4.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____102_09_0 =  3.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____102_09_0 =  5.8E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____102_09_0 =  4.7E-03                                  ! [atm] type: Q, ref: 2995

! species:  benzyl benzoate
! formula:  C_{14}H_{12}O_2
! trivial:  
! casrn:    120-51-4
! inchikey: SESFRYSPDFLNCH-UHFFFAOYSA-N
Hvpx_____120_51_4 =  3.1E-01                                  ! [atm] type: V, ref: 2613
Hvpx_____120_51_4 =  3.1E-01                                  ! [atm] type: V, ref: 636
Hvpx_____120_51_4 =  3.2E-01                                  ! [atm] type: Q, ref: 3682

! species:  {\it trans}-ethylcinnamate
! formula:  C_{11}H_{12}O_2
! trivial:  
! casrn:    103-36-6
! inchikey: KBEBGUQPQBELIU-CMDGGOBGSA-N
Hvpx_____103_36_6 =  2.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____103_36_6 =  3.9E-01                                  ! [atm] type: Q, ref: 3521
Hvpx_____103_36_6 =  8.4E-01                                  ! [atm] type: Q, ref: 3586

! species:  dipropylene glycol dibenzoate
! formula:  C_{20}H_{22}O_5
! trivial:  
! casrn:    27138-31-4
! inchikey: CGLQOIMEUPORRI-UHFFFAOYSA-N
Hvpx___27138_31_4 =  7.6E-04                                  ! [atm] type: V, ref: 3586
Hvpx___27138_31_4 =  5.8E-04                                  ! [atm] type: Q, ref: 3586

! species:  dimethyl phthalate
! formula:  C_{10}H_{10}O_4
! trivial:  
! casrn:    131-11-3
! inchikey: NIQCNGHVCWTJSM-UHFFFAOYSA-N
Hvpx_____131_11_3 =  1.1E-02 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____131_11_3 =  2.4E-02                                  ! [atm] type: M, ref: 3404
Hvpx_____131_11_3 =  1.1E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____131_11_3 =  1.1E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____131_11_3 =  5.8E-03                                  ! [atm] type: V, ref: 2613
Hvpx_____131_11_3 =  2.7E-02                                  ! [atm] type: V, ref: 2915
Hvpx_____131_11_3 =  5.3E-03                                  ! [atm] type: V, ref: 2957
Hvpx_____131_11_3 =  6.8E-03                                  ! [atm] type: V, ref: 2958
Hvpx_____131_11_3 =  6.0E-03                                  ! [atm] type: V, ref: 477
Hvpx_____131_11_3 =  6.0E-03                                  ! [atm] type: V, ref: 636
Hvpx_____131_11_3 =  1.1E-02                                  ! [atm] type: V, ref: 2439
Hvpx_____131_11_3 =  6.1E-02                                  ! [atm] type: V, ref: 2956
Hvpx_____131_11_3 =  6.2E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____131_11_3 =  1.9E-02                                  ! [atm] type: X, ref: usepa82
Hvpx_____131_11_3 =  1.8E-02 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____131_11_3 =  2.3E-02                                  ! [atm] type: X, ref: mccarty80
Hvpx_____131_11_3 =  1.1E-02                                  ! [atm] type: C, ref: 2235
Hvpx_____131_11_3 =  2.5E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____131_11_3 =  1.1E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____131_11_3 =  1.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____131_11_3 =  1.1E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____131_11_3 =  6.7E-03                                  ! [atm] type: Q, ref: 3579
Hvpx_____131_11_3 =  3.2E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____131_11_3 =  5.7E-02                                  ! [atm] type: Q, ref: 2915
Hvpx_____131_11_3 =  1.0E-02                                  ! [atm] type: ?, ref: 2440

! species:  1,4-cyclohexanedicarboxylic acid, dimethyl ester
! formula:  C_{10}H_{16}O_4
! trivial:  dimethyl hexahydroterephthalate
! casrn:    94-60-0
! inchikey: LNGAGQAGYITKCW-UHFFFAOYSA-N
Hvpx______94_60_0 =  5.4E-03                                  ! [atm] type: V, ref: 3088

! species:  1,3-benzenedicarboxylic acid, dimethyl ester
! formula:  C_{10}H_{10}O_4
! trivial:  dimethyl isophthalate
! casrn:    1459-93-4
! inchikey: VNGOYPQMJFJDLV-UHFFFAOYSA-N
Hvpx____1459_93_4 =  3.4E-03                                  ! [atm] type: Q, ref: 3088

! species:  diethyl phthalate
! formula:  C_{12}H_{14}O_4
! trivial:  
! casrn:    84-66-2
! inchikey: FLKPEMZONWLCSK-UHFFFAOYSA-N
Hvpx______84_66_2 =  9.0E-03 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______84_66_2 =  2.5E-02                                  ! [atm] type: M, ref: 3404
Hvpx______84_66_2 =  3.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx______84_66_2 =  3.4E-02                                  ! [atm] type: V, ref: 3088
Hvpx______84_66_2 =  2.5E-02                                  ! [atm] type: V, ref: 2613
Hvpx______84_66_2 =  1.3E-02                                  ! [atm] type: V, ref: 2957
Hvpx______84_66_2 =  1.5E-02                                  ! [atm] type: V, ref: 2958
Hvpx______84_66_2 =  2.6E-02                                  ! [atm] type: V, ref: 477
Hvpx______84_66_2 =  5.5E-03                                  ! [atm] type: V, ref: 636
Hvpx______84_66_2 =  1.1E-03                                  ! [atm] type: V, ref: 2956
Hvpx______84_66_2 =  7.9E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______84_66_2 =  4.6E-02                                  ! [atm] type: X, ref: usepa82
Hvpx______84_66_2 =  4.7E-02 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______84_66_2 =  2.6E+00                                  ! [atm] type: C, ref: 2235
Hvpx______84_66_2 =  9.4E-01                                  ! [atm] type: C, ref: 2556
Hvpx______84_66_2 =  1.6E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______84_66_2 =  3.6E-02                                  ! [atm] type: Q, ref: 3406
Hvpx______84_66_2 =  2.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______84_66_2 =  3.7E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______84_66_2 =  2.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______84_66_2 =  9.8E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______84_66_2 =  8.4E-03                                  ! [atm] type: Q, ref: 3579
Hvpx______84_66_2 =  7.1E-03                                  ! [atm] type: Q, ref: 2521
Hvpx______84_66_2 =  9.5E-02                                  ! [atm] type: Q, ref: 2915
Hvpx______84_66_2 =  2.6E-02                                  ! [atm] type: Q, ref: 3731
Hvpx______84_66_2 =  3.4E-02                                  ! [atm] type: ?, ref: 3393
Hvpx______84_66_2 =  7.9E-03                                  ! [atm] type: ?, ref: 2440

! species:  dipropyl phthalate
! formula:  C_{14}H_{18}O_4
! trivial:  
! casrn:    131-16-8
! inchikey: MQHNKCZKNAJROC-UHFFFAOYSA-N
Hvpx_____131_16_8 =  2.5E-02                                  ! [atm] type: L, ref: 3518
Hvpx_____131_16_8 =  2.2E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____131_16_8 =  3.1E-02                                  ! [atm] type: V, ref: 2957
Hvpx_____131_16_8 =  1.6E-01                                  ! [atm] type: V, ref: 2957
Hvpx_____131_16_8 =  1.7E-02                                  ! [atm] type: V, ref: 2958
Hvpx_____131_16_8 =  1.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____131_16_8 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____131_16_8 =  7.0E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____131_16_8 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____131_16_8 =  2.3E-02                                  ! [atm] type: Q, ref: 2915

! species:  diallyl phthalate
! formula:  C_{14}H_{14}O_4
! trivial:  
! casrn:    131-17-9
! inchikey: QUDWYFHPNIMBFC-UHFFFAOYSA-N
Hvpx_____131_17_9 =  1.6E-02                                  ! [atm] type: V, ref: 2915
Hvpx_____131_17_9 =  2.3E-02                                  ! [atm] type: V, ref: 2957
Hvpx_____131_17_9 =  1.6E-02                                  ! [atm] type: V, ref: 2958
Hvpx_____131_17_9 =  2.2E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____131_17_9 =  3.2E-02                                  ! [atm] type: Q, ref: 2915

! species:  bis(2-methoxyethyl) phthalate
! formula:  C_{14}H_{18}O_5
! trivial:  
! casrn:    117-82-8
! inchikey: HSUIVCLOAAJSRE-UHFFFAOYSA-N
Hvpx_____117_82_8 =  2.4E-02                                  ! [atm] type: V, ref: 2959
Hvpx_____117_82_8 =  1.5E-08                                  ! [atm] type: Q, ref: 3088

! species:  dibutyl phthalate
! formula:  C_{16}H_{22}O_4
! trivial:  
! casrn:    84-74-2
! inchikey: DOIRQSBPFJWKBE-UHFFFAOYSA-N
Hvpx______84_74_2 =  4.8E-02 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______84_74_2 =  5.9E-02                                  ! [atm] type: M, ref: 3014
Hvpx______84_74_2 =  1.0E-01                                  ! [atm] type: M, ref: 2533
Hvpx______84_74_2 =  2.5E-02                                  ! [atm] type: V, ref: 2613
Hvpx______84_74_2 =  2.1E-02                                  ! [atm] type: V, ref: 2915
Hvpx______84_74_2 =  7.3E-02                                  ! [atm] type: V, ref: 2957
Hvpx______84_74_2 =  4.9E-02                                  ! [atm] type: V, ref: 2958
Hvpx______84_74_2 =  2.5E-02                                  ! [atm] type: V, ref: 477
Hvpx______84_74_2 =  2.7E-02                                  ! [atm] type: V, ref: 636
Hvpx______84_74_2 =  2.1E-03                                  ! [atm] type: V, ref: 2439
Hvpx______84_74_2 =  7.2E-02                                  ! [atm] type: V, ref: 2956
Hvpx______84_74_2 =  9.7E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______84_74_2 =  3.5E+00                                  ! [atm] type: X, ref: mccarty80
Hvpx______84_74_2 =  1.6E-02                                  ! [atm] type: C, ref: 2235
Hvpx______84_74_2 =  9.7E-03                                  ! [atm] type: Q, ref: 3579
Hvpx______84_74_2 =  1.9E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______84_74_2 =  5.0E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______84_74_2 =  1.5E-02                                  ! [atm] type: Q, ref: 2915
Hvpx______84_74_2 =  2.0E-02                                  ! [atm] type: ?, ref: 2440

! species:  diisobutyl phthalate
! formula:  C_{16}H_{22}O_4
! trivial:  
! casrn:    84-69-5
! inchikey: MGWAVDBGNNKXQV-UHFFFAOYSA-N
Hvpx______84_69_5 =  1.5E-01                                  ! [atm] type: V, ref: 3088
Hvpx______84_69_5 =  7.3E-02                                  ! [atm] type: V, ref: 2957
Hvpx______84_69_5 =  1.0E-02                                  ! [atm] type: V, ref: 2958
Hvpx______84_69_5 =  1.7E-02                                  ! [atm] type: Q, ref: 2915

! species:  1,2-benzenedicarboxylic acid, butyl cyclohexyl ester
! formula:  C_{18}H_{24}O_4
! trivial:  butyl cyclohexyl phthalate
! casrn:    84-64-0
! inchikey: BHKLONWXRPJNAE-UHFFFAOYSA-N
Hvpx______84_64_0 =  5.3E-02                                  ! [atm] type: Q, ref: 3088

! species:  butyl glycolyl butyl phthalate
! formula:  C_{18}H_{24}O_6
! trivial:  
! casrn:    85-70-1
! inchikey: GOJCZVPJCKEBQV-UHFFFAOYSA-N
Hvpx______85_70_1 =  1.2E-03                                  ! [atm] type: Q, ref: 3088

! species:  diamyl phthalate
! formula:  C_{18}H_{26}O_4
! trivial:  
! casrn:    131-18-0
! inchikey: IPKKHRVROFYTEK-UHFFFAOYSA-N
Hvpx_____131_18_0 =  4.9E-02                                  ! [atm] type: Q, ref: 3088

! species:  butyl benzyl phthalate
! formula:  C_{19}H_{20}O_4
! trivial:  
! casrn:    85-68-7
! inchikey: IRIAEXORFWYRCZ-UHFFFAOYSA-N
Hvpx______85_68_7 =  5.3E-03                                  ! [atm] type: M, ref: 3014
Hvpx______85_68_7 =  7.0E-02                                  ! [atm] type: V, ref: 3586
Hvpx______85_68_7 =  7.2E-02                                  ! [atm] type: V, ref: 3088
Hvpx______85_68_7 =  7.3E-02                                  ! [atm] type: V, ref: 2613
Hvpx______85_68_7 =  2.8E-02                                  ! [atm] type: V, ref: 2915
Hvpx______85_68_7 =  1.1E-01                                  ! [atm] type: V, ref: 2957
Hvpx______85_68_7 =  4.2E-02                                  ! [atm] type: V, ref: 2958
Hvpx______85_68_7 =  7.0E-02                                  ! [atm] type: V, ref: 636
Hvpx______85_68_7 =  5.7E-02                                  ! [atm] type: C, ref: 2235
Hvpx______85_68_7 =  1.9E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______85_68_7 =  1.7E-02                                  ! [atm] type: Q, ref: 2915
Hvpx______85_68_7 =  5.5E-02                                  ! [atm] type: E, ref: 2556

! species:  dihexyl phthalate
! formula:  C_{20}H_{30}O_4
! trivial:  
! casrn:    84-75-3
! inchikey: KCXZNSGUUQJJTR-UHFFFAOYSA-N
Hvpx______84_75_3 =  6.6E-02                                  ! [atm] type: L, ref: 3518
Hvpx______84_75_3 =  1.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx______84_75_3 =  1.4E+00                                  ! [atm] type: V, ref: 3088
Hvpx______84_75_3 =  4.0E-01                                  ! [atm] type: V, ref: 2957
Hvpx______84_75_3 =  2.4E+00                                  ! [atm] type: V, ref: 2958
Hvpx______84_75_3 =  9.8E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______84_75_3 =  3.5E-02                                  ! [atm] type: Q, ref: 2915

! species:  butyl 2-ethylhexyl phthalate
! formula:  C_{20}H_{30}O_4
! trivial:  
! casrn:    85-69-8
! inchikey: AVOLBYOSCILFLL-UHFFFAOYSA-N
Hvpx______85_69_8 =  2.5E-01                                  ! [atm] type: V, ref: 2957
Hvpx______85_69_8 =  2.2E-02                                  ! [atm] type: V, ref: 2958
Hvpx______85_69_8 =  1.2E-01                                  ! [atm] type: Q, ref: 3088
Hvpx______85_69_8 =  7.9E-03                                  ! [atm] type: Q, ref: 2915

! species:  diphenyl terephthalate
! formula:  C_{20}H_{14}O_4
! trivial:  
! casrn:    1539-04-4
! inchikey: HPGJOUYGWKFYQW-UHFFFAOYSA-N
Hvpx____1539_04_4 =  1.7E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____1539_04_4 =  1.3E-05                                  ! [atm] type: Q, ref: 2995
Hvpx____1539_04_4 =  2.0E-05                                  ! [atm] type: Q, ref: 2995
Hvpx____1539_04_4 =  7.1E-06                                  ! [atm] type: Q, ref: 2995

! species:  dicyclohexyl phthalate
! formula:  C_{20}H_{26}O_4
! trivial:  
! casrn:    84-61-7
! inchikey: VOWAEIGWURALJQ-UHFFFAOYSA-N
Hvpx______84_61_7 =  5.5E-03                                  ! [atm] type: V, ref: 3586
Hvpx______84_61_7 =  5.5E-03                                  ! [atm] type: V, ref: 3088
Hvpx______84_61_7 =  1.1E-03                                  ! [atm] type: Q, ref: 3586

! species:  bis(2-butoxyethyl) phthalate
! formula:  C_{20}H_{30}O_6
! trivial:  
! casrn:    117-83-9
! inchikey: CMCJNODIWQEOAI-UHFFFAOYSA-N
Hvpx_____117_83_9 =  1.1E-07                                  ! [atm] type: Q, ref: 3088

! species:  diheptyl phthalate
! formula:  C_{22}H_{34}O_4
! trivial:  
! casrn:    3648-21-3
! inchikey: JQCXWCOOWVGKMT-UHFFFAOYSA-N
Hvpx____3648_21_3 =  9.2E-01                                  ! [atm] type: V, ref: 2957
Hvpx____3648_21_3 =  1.9E-01                                  ! [atm] type: Q, ref: 3088
Hvpx____3648_21_3 =  6.1E-01                                  ! [atm] type: Q, ref: 2915

! species:  dioctyl phthalate
! formula:  C_{24}H_{38}O_4
! trivial:  
! casrn:    117-84-0
! inchikey: MQIUGAXCHLFZKX-UHFFFAOYSA-N
Hvpx_____117_84_0 =  1.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____117_84_0 =  1.4E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____117_84_0 =  5.7E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____117_84_0 =  2.2E+00                                  ! [atm] type: V, ref: 2957
Hvpx_____117_84_0 =  5.7E+00                                  ! [atm] type: V, ref: 2958
Hvpx_____117_84_0 =  3.1E-01                                  ! [atm] type: V, ref: 636
Hvpx_____117_84_0 =  3.0E-01                                  ! [atm] type: V, ref: 2956
Hvpx_____117_84_0 =  6.1E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____117_84_0 =  1.6E-02                                  ! [atm] type: C, ref: 2235
Hvpx_____117_84_0 =  8.8E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____117_84_0 =  7.6E-03                                  ! [atm] type: Q, ref: 3579
Hvpx_____117_84_0 =  8.6E-02                                  ! [atm] type: Q, ref: 2915
Hvpx_____117_84_0 =  5.5E-02                                  ! [atm] type: E, ref: 2556
Hvpx_____117_84_0 =  7.2E-03                                  ! [atm] type: ?, ref: 2440

! species:  diisooctyl phthalate
! formula:  C_{24}H_{38}O_4
! trivial:  
! casrn:    27554-26-3
! inchikey: IJFPVINAQGWBRJ-UHFFFAOYSA-N
Hvpx___27554_26_3 =  1.7E+00                                  ! [atm] type: V, ref: 3586
Hvpx___27554_26_3 =  1.7E+00                                  ! [atm] type: V, ref: 3088
Hvpx___27554_26_3 =  2.2E+00                                  ! [atm] type: V, ref: 2957
Hvpx___27554_26_3 =  5.8E-02                                  ! [atm] type: Q, ref: 3586
Hvpx___27554_26_3 =  3.7E-03                                  ! [atm] type: Q, ref: 2915

! species:  decyl hexyl phthalate
! formula:  C_{24}H_{38}O_4
! trivial:  
! casrn:    25724-58-7
! inchikey: OMQBXAQAHHFSST-UHFFFAOYSA-N
Hvpx___25724_58_7 =  3.3E-03                                  ! [atm] type: Q, ref: 2915

! species:  bis(2-ethylhexyl)-phthalate
! formula:  C_{24}H_{38}O_4
! trivial:  DEHP
! casrn:    117-81-7
! inchikey: BJQHLKABXJIVAM-UHFFFAOYSA-N
Hvpx_____117_81_7 =  1.5E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____117_81_7 =  1.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____117_81_7 =  9.5E-01                                  ! [atm] type: V, ref: 2613
Hvpx_____117_81_7 =  4.0E-02                                  ! [atm] type: V, ref: 2915
Hvpx_____117_81_7 =  2.2E+00                                  ! [atm] type: V, ref: 2957
Hvpx_____117_81_7 =  9.5E-01                                  ! [atm] type: V, ref: 2958
Hvpx_____117_81_7 =  1.5E-02                                  ! [atm] type: V, ref: 636
Hvpx_____117_81_7 =  8.2E-01                                  ! [atm] type: V, ref: 1145
Hvpx_____117_81_7 =  1.0E+01                                  ! [atm] type: V, ref: 2966
Hvpx_____117_81_7 =  2.4E-02                                  ! [atm] type: V, ref: 2956
Hvpx_____117_81_7 =  1.6E-02                                  ! [atm] type: C, ref: 2235
Hvpx_____117_81_7 =  6.6E-03                                  ! [atm] type: C, ref: 2556
Hvpx_____117_81_7 =  5.8E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____117_81_7 =  2.2E-02                                  ! [atm] type: Q, ref: 2915
Hvpx_____117_81_7 =  6.5E-01                                  ! [atm] type: Q, ref: 1145
Hvpx_____117_81_7 =  1.5E-02                                  ! [atm] type: ?, ref: 3393

! species:  bis(2-ethylhexyl) terephthalate
! formula:  C_{24}H_{38}O_4
! trivial:  
! casrn:    6422-86-2
! inchikey: RWPICVVBGZBXNA-UHFFFAOYSA-N
Hvpx____6422_86_2 =  5.5E-01                                  ! [atm] type: Q, ref: 3088

! species:  dinonyl phthalate
! formula:  C_{26}H_{42}O_4
! trivial:  
! casrn:    84-76-4
! inchikey: DROMNWUQASBTFM-UHFFFAOYSA-N
Hvpx______84_76_4 =  5.1E+00                                  ! [atm] type: V, ref: 2957
Hvpx______84_76_4 =  7.7E-01                                  ! [atm] type: Q, ref: 3088
Hvpx______84_76_4 =  1.8E-02                                  ! [atm] type: Q, ref: 2915

! species:  diisononyl phthalate
! formula:  C_{26}H_{42}O_4
! trivial:  
! casrn:    28553-12-0
! inchikey: HBGGXOJOCNVPFY-UHFFFAOYSA-N
Hvpx___28553_12_0 =  8.2E-02                                  ! [atm] type: V, ref: 3586
Hvpx___28553_12_0 =  8.3E-02                                  ! [atm] type: V, ref: 3088
Hvpx___28553_12_0 =  5.1E+00                                  ! [atm] type: V, ref: 2957
Hvpx___28553_12_0 =  5.5E-02                                  ! [atm] type: Q, ref: 3586
Hvpx___28553_12_0 =  1.6E-02                                  ! [atm] type: Q, ref: 2915

! species:  didecyl phthalate
! formula:  C_{28}H_{46}O_4
! trivial:  
! casrn:    84-77-5
! inchikey: PGIBJVOPLXHHGS-UHFFFAOYSA-N
Hvpx______84_77_5 =  1.2E+01                                  ! [atm] type: V, ref: 2957
Hvpx______84_77_5 =  1.5E+00                                  ! [atm] type: Q, ref: 3088

! species:  diisodecyl phthalate
! formula:  C_{28}H_{46}O_4
! trivial:  
! casrn:    26761-40-0
! inchikey: ZVFDTKUVRCTHQE-UHFFFAOYSA-N
Hvpx___26761_40_0 =  6.1E-02                                  ! [atm] type: V, ref: 3586
Hvpx___26761_40_0 =  6.1E-02                                  ! [atm] type: V, ref: 3088
Hvpx___26761_40_0 =  1.4E-02                                  ! [atm] type: V, ref: 2915
Hvpx___26761_40_0 =  1.2E+01                                  ! [atm] type: V, ref: 2957
Hvpx___26761_40_0 =  4.8E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___26761_40_0 =  5.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx___26761_40_0 =  4.1E-02                                  ! [atm] type: Q, ref: 3579
Hvpx___26761_40_0 =  2.3E-02                                  ! [atm] type: Q, ref: 2915
Hvpx___26761_40_0 =  6.1E-02                                  ! [atm] type: ?, ref: 2440

! species:  diundecyl phthalate
! formula:  C_{30}H_{50}O_4
! trivial:  
! casrn:    3648-20-2
! inchikey: QQVHEQUEHCEAKS-UHFFFAOYSA-N
Hvpx____3648_20_2 =  1.7E-02                                  ! [atm] type: V, ref: 2915
Hvpx____3648_20_2 =  2.8E+01                                  ! [atm] type: V, ref: 2957
Hvpx____3648_20_2 =  3.1E+00                                  ! [atm] type: Q, ref: 3088
Hvpx____3648_20_2 =  3.9E-02                                  ! [atm] type: Q, ref: 2915

! species:  ditridecyl phthalate
! formula:  C_{34}H_{58}O_4
! trivial:  
! casrn:    119-06-2
! inchikey: YCZJVRCZIPDYHH-UHFFFAOYSA-N
Hvpx_____119_06_2 =  1.5E+02                                  ! [atm] type: V, ref: 2957
Hvpx_____119_06_2 =  1.2E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____119_06_2 =  6.9E-03                                  ! [atm] type: Q, ref: 2915

! species:  ethanedioic acid, dimethyl ester
! formula:  C_4H_6O_4
! trivial:  dimethyl oxalate
! casrn:    553-90-2
! inchikey: LOMVENUNSWAXEN-UHFFFAOYSA-N
Hvpx_____553_90_2 =  1.6E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____553_90_2 =  2.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____553_90_2 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____553_90_2 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____553_90_2 =  1.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____553_90_2 =  8.0E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____553_90_2 =  1.2E+00                                  ! [atm] type: Q, ref: 2530

! species:  ethanedioic acid, diethyl ester
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    95-92-1
! inchikey: WYACBZDAHNBPPB-UHFFFAOYSA-N
Hvpx______95_92_1 =  1.2E-01                                  ! [atm] type: V, ref: 3586
Hvpx______95_92_1 =  8.6E-02                                  ! [atm] type: Q, ref: 3586

! species:  propanedioic acid, dimethyl ester
! formula:  C_5H_8O_4
! trivial:  dimethyl malonate
! casrn:    108-59-8
! inchikey: BEPAFCGSDWSTEL-UHFFFAOYSA-N
Hvpx_____108_59_8 =  1.4E-02 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1940

! species:  propanedioic acid, diethyl ester
! formula:  C_7H_{12}O_4
! trivial:  diethyl malonate
! casrn:    105-53-3
! inchikey: IYXGSMUGOJNHAZ-UHFFFAOYSA-N
Hvpx_____105_53_3 =  1.4E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____105_53_3 =  1.2E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____105_53_3 =  6.9E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____105_53_3 =  2.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_53_3 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_53_3 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_53_3 =  1.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____105_53_3 =  1.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____105_53_3 =  1.3E-01                                  ! [atm] type: ?, ref: 3393
Hvpx_____105_53_3 =  1.3E-01                                  ! [atm] type: ?, ref: 2440

! species:  butanedioic acid, dimethyl ester
! formula:  C_6H_{10}O_4
! trivial:  dimethyl succinate
! casrn:    106-65-0
! inchikey: MUXOBHXGJLMRAB-UHFFFAOYSA-N
Hvpx_____106_65_0 =  1.8E-02 * EXP(  -8500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1940
Hvpx_____106_65_0 =  3.5E-03                                  ! [atm] type: Q, ref: 3088

! species:  diethyl succinate
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    123-25-1
! inchikey: DKMROQRQHGEIOW-UHFFFAOYSA-N
Hvpx_____123_25_1 =  2.9E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____123_25_1 =  5.9E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_25_1 =  1.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_25_1 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_25_1 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_25_1 =  1.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_25_1 =  4.3E-01                                  ! [atm] type: Q, ref: 2530

! species:  ($Z$)-2-butenedioic acid dimethyl ester
! formula:  C_6H_8O_4
! trivial:  dimethyl maleate
! casrn:    624-48-6
! inchikey: LDCRTTXIJACKKU-ARJAWSKDSA-N
Hvpx_____624_48_6 =  3.9E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____624_48_6 =  1.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____624_48_6 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____624_48_6 =  1.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____624_48_6 =  7.0E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____624_48_6 =  2.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____624_48_6 =  3.4E-01                                  ! [atm] type: Q, ref: 2530

! species:  ($E$)-2-butenedioic acid dimethyl ester
! formula:  C_6H_8O_4
! trivial:  dimethyl fumarate
! casrn:    624-49-7
! inchikey: LDCRTTXIJACKKU-ONEGZZNKSA-N
Hvpx_____624_49_7 =  3.9E-02                                  ! [atm] type: Q, ref: 3088

! species:  pentanedioic acid, dimethyl ester
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    1119-40-0
! inchikey: XTDYIOOONNVFMA-UHFFFAOYSA-N
Hvpx____1119_40_0 =  3.6E-02                                  ! [atm] type: V, ref: 3586
Hvpx____1119_40_0 =  7.9E-03                                  ! [atm] type: Q, ref: 3586

! species:  diethyl glutarate
! formula:  C_9H_{16}O_4
! trivial:  
! casrn:    818-38-2
! inchikey: OUWSNHWQZPEFEX-UHFFFAOYSA-N
Hvpx_____818_38_2 =  3.2E-02                                  ! [atm] type: ?, ref: 3766

! species:  diethyl pimelate
! formula:  C_{11}H_{20}O_4
! trivial:  
! casrn:    2050-20-6
! inchikey: LKKOGZVQGQUVHF-UHFFFAOYSA-N
Hvpx____2050_20_6 =  2.5E-02                                  ! [atm] type: V, ref: 3586
Hvpx____2050_20_6 =  4.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx____2050_20_6 =  3.6E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____2050_20_6 =  6.4E-01                                  ! [atm] type: Q, ref: 2530
Hvpx____2050_20_6 =  2.4E-02                                  ! [atm] type: ?, ref: 3393

! species:  1,3-benzenedicarboxylic acid, diethyl ester
! formula:  C_{12}H_{14}O_4
! trivial:  
! casrn:    636-53-3
! inchikey: JLVWYWVLMFVCDI-UHFFFAOYSA-N
Hvpx_____636_53_3 =  2.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____636_53_3 =  2.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____636_53_3 =  1.9E-08                                  ! [atm] type: Q, ref: 2995
Hvpx_____636_53_3 =  9.8E-03                                  ! [atm] type: Q, ref: 2995

! species:  dibutyl maleate
! formula:  C_{12}H_{20}O_4
! trivial:  
! casrn:    105-76-0
! inchikey: JBSLOWBPDRZSMB-FPLPWBNLSA-N
Hvpx_____105_76_0 =  2.1E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____105_76_0 =  3.6E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____105_76_0 =  2.2E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_76_0 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____105_76_0 =  4.4E-02                                  ! [atm] type: Q, ref: 2546

! species:  dimethyl sebacate
! formula:  C_{12}H_{22}O_4
! trivial:  decanedioic acid, dimethyl ester
! casrn:    106-79-6
! inchikey: ALOUNLDAKADEEB-UHFFFAOYSA-N
Hvpx_____106_79_6 =  3.1E-02                                  ! [atm] type: ?, ref: 3766

! species:  2,6-naphthalenedicarboxylic acid, dimethyl ester
! formula:  C_{14}H_{12}O_4
! trivial:  
! casrn:    840-65-3
! inchikey: GYUVMLBYMPKZAZ-UHFFFAOYSA-N
Hvpx_____840_65_3 =  1.2E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____840_65_3 =  2.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____840_65_3 =  2.1E-08                                  ! [atm] type: Q, ref: 2995
Hvpx_____840_65_3 =  4.2E-04                                  ! [atm] type: Q, ref: 2995

! species:  diisooctyl adipate
! formula:  C_{22}H_{42}O_4
! trivial:  
! casrn:    1330-86-5
! inchikey: CJFLBOQMPJCWLR-UHFFFAOYSA-N
Hvpx____1330_86_5 =  2.9E+00                                  ! [atm] type: Q, ref: 3088

! species:  di-(2-ethylhexyl)-adipate
! formula:  C_{22}H_{42}O_4
! trivial:  
! casrn:    103-23-1
! inchikey: SAOKZLXYCUGLFA-UHFFFAOYSA-N
Hvpx_____103_23_1 =  2.4E-02                                  ! [atm] type: M, ref: 3943
Hvpx_____103_23_1 =  1.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____103_23_1 =  1.4E+00                                  ! [atm] type: Q, ref: 2530

! species:  peroxybenzoic acid, {\it tert}-butyl ester
! formula:  C_{11}H_{14}O_3
! trivial:  
! casrn:    614-45-9
! inchikey: GJBRNHKUVLOCEB-UHFFFAOYSA-N
Hvpx_____614_45_9 =  1.2E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____614_45_9 =  1.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____614_45_9 =  3.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____614_45_9 =  6.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____614_45_9 =  1.0E-01                                  ! [atm] type: Q, ref: 2995

! species:  neodecaneperoxoic acid, 1,1-dimethylethyl ester
! formula:  C_{14}H_{28}O_3
! trivial:  
! casrn:    26748-41-4
! inchikey: NMOALOSNPWTWRH-UHFFFAOYSA-N
Hvpx___26748_41_4 =  5.5E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___26748_41_4 =  1.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___26748_41_4 =  4.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___26748_41_4 =  2.4E+01                                  ! [atm] type: Q, ref: 2995

! species:  neoheptaneperoxoic acid, 1-methyl-1-phenylethyl ester
! formula:  C_{16}H_{24}O_3
! trivial:  
! casrn:    130097-36-8
! inchikey: WFAUFYAGXAXBEG-UHFFFAOYSA-N
Hvpx__130097_36_8 =  1.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx__130097_36_8 =  6.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx__130097_36_8 =  2.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx__130097_36_8 =  4.3E-01                                  ! [atm] type: Q, ref: 2995

! species:  hydroxypropyl acrylate
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    25584-83-2
! inchikey: AYEFIAVHMUFQPZ-UHFFFAOYSA-N
Hvpx___25584_83_2 =  9.4E-05                                  ! [atm] type: Q, ref: 3088

! species:  2-hydroxyethyl methacrylate
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    868-77-9
! inchikey: WOBHKFSMXKNTIM-UHFFFAOYSA-N
Hvpx_____868_77_9 =  1.2E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____868_77_9 =  8.2E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____868_77_9 =  2.5E-04                                  ! [atm] type: Q, ref: 3088

! species:  2-hydroxypropyl acrylate
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    999-61-1
! inchikey: GWZMWHWAWHPNHN-UHFFFAOYSA-N
Hvpx_____999_61_1 =  3.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  hexanedioic acid, dimethyl ester
! formula:  C_8H_{14}O_4
! trivial:  dimethyl adipate
! casrn:    627-93-0
! inchikey: UDSFAEKRVUSQDD-UHFFFAOYSA-N
Hvpx_____627_93_0 =  1.3E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____627_93_0 =  6.7E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____627_93_0 =  5.4E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____627_93_0 =  9.1E-02                                  ! [atm] type: ?, ref: 3393

! species:  methyl 4-hydroxybenzoate
! formula:  C_8H_8O_3
! trivial:  methylparaben
! casrn:    99-76-3
! inchikey: LXCFILQKKLGQFO-UHFFFAOYSA-N
Hvpx______99_76_3 =  1.2E-04                                  ! [atm] type: Q, ref: 3088

! species:  diethyl fumarate
! formula:  C_8H_{12}O_4
! trivial:  
! casrn:    623-91-6
! inchikey: IEPRKVQEAMIZSS-AATRIKPKSA-N
Hvpx_____623_91_6 =  1.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  diethyl adipate
! formula:  C_{10}H_{18}O_4
! trivial:  
! casrn:    141-28-6
! inchikey: VIZORQUEIQEFRT-UHFFFAOYSA-N
Hvpx_____141_28_6 =  2.0E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____141_28_6 =  2.0E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____141_28_6 =  4.6E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____141_28_6 =  1.5E-01                                  ! [atm] type: ?, ref: 3393

! species:  propyl 4-hydroxybenzoate
! formula:  C_{10}H_{12}O_3
! trivial:  propylparaben
! casrn:    94-13-3
! inchikey: QELSKZZBTMNZEB-UHFFFAOYSA-N
Hvpx______94_13_3 =  3.5E-04                                  ! [atm] type: Q, ref: 3088

! species:  diethylene glycol diacrylate
! formula:  C_{10}H_{14}O_5
! trivial:  
! casrn:    4074-88-8
! inchikey: LEJBBGNFPAFPKQ-UHFFFAOYSA-N
Hvpx____4074_88_8 =  5.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
! formula:  C_{11}H_{16}O_4
! trivial:  2,2-dimethyltrimethylene acrylate
! casrn:    2223-82-7
! inchikey: MXFQRSUWYYSPOC-UHFFFAOYSA-N
Hvpx____2223_82_7 =  2.0E-02                                  ! [atm] type: Q, ref: 3088

! species:  methyl jasmonate
! formula:  C_{13}H_{20}O_3
! trivial:  
! casrn:    1211-29-6
! inchikey: GEWDNTWNSAZUDX-NNOMMRTBSA-N
Hvpx____1211_29_6 =  1.1E-02                                  ! [atm] type: M, ref: 3555
Hvpx____1211_29_6 =  7.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  cinoxate
! formula:  C_{14}H_{18}O_4
! trivial:  
! casrn:    104-28-9
! inchikey: CMDKPGRTAQVGFQ-RMKNXTFCSA-N
Hvpx_____104_28_9 =  2.8E-04                                  ! [atm] type: Q, ref: 3088

! species:  trimethylolpropane triacrylate
! formula:  C_{15}H_{20}O_6
! trivial:  
! casrn:    15625-89-5
! inchikey: DAKWPKUUDNSNPN-UHFFFAOYSA-N
Hvpx___15625_89_5 =  3.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  benzyl cinnamate
! formula:  C_{16}H_{14}O_2
! trivial:  
! casrn:    103-41-3
! inchikey: NGHOLYJTSCBCGC-VAWYXSNFSA-N
Hvpx_____103_41_3 =  1.8E-02                                  ! [atm] type: Q, ref: 3088

! species:  2,2,4-trimethyl-1,3-pentanediol diisobutyrate
! formula:  C_{16}H_{30}O_4
! trivial:  
! casrn:    6846-50-0
! inchikey: OMVSWZDEEGIJJI-UHFFFAOYSA-N
Hvpx____6846_50_0 =  6.1E-01                                  ! [atm] type: Q, ref: 3088

! species:  nonanedioic acid, dibutyl ester
! formula:  C_{17}H_{32}O_4
! trivial:  dibutyl azelate
! casrn:    2917-73-9
! inchikey: RISLXYINQFKFRL-UHFFFAOYSA-N
Hvpx____2917_73_9 =  6.6E-01                                  ! [atm] type: Q, ref: 3088

! species:  isopropyl myristate
! formula:  C_{17}H_{34}O_2
! trivial:  
! casrn:    110-27-0
! inchikey: AXISYYRBXTVTFY-UHFFFAOYSA-N
Hvpx_____110_27_0 =  1.3E+03                                  ! [atm] type: Q, ref: 3088

! species:  decanedioic acid, dibutyl ester
! formula:  C_{18}H_{34}O_4
! trivial:  
! casrn:    109-43-3
! inchikey: PYGXAGIECVVIOZ-UHFFFAOYSA-N
Hvpx_____109_43_3 =  2.7E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____109_43_3 =  2.7E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____109_43_3 =  3.1E-02                                  ! [atm] type: Q, ref: 3586

! species:  diethylene glycol dibenzoate
! formula:  C_{18}H_{18}O_5
! trivial:  
! casrn:    120-55-8
! inchikey: NXQMCAOPTPLPRL-UHFFFAOYSA-N
Hvpx_____120_55_8 =  1.7E-07                                  ! [atm] type: Q, ref: 3088

! species:  12-hydroxy-9-octadecenoic acid, methyl ester
! formula:  C_{19}H_{36}O_3
! trivial:  ricinoleic acid, methyl ester
! casrn:    141-24-2
! inchikey: XKGDWZQXVZSXAO-RAXLEYEMSA-N
Hvpx_____141_24_2 =  8.1E-03                                  ! [atm] type: Q, ref: 3088

! species:  chrysanthemumic acid 2,4-dimethylbenzyl ester
! formula:  C_{19}H_{26}O_2
! trivial:  dimethrin
! casrn:    70-38-2
! inchikey: FHNKBSDJERHDHZ-UHFFFAOYSA-N
Hvpx______70_38_2 =  4.2E+00                                  ! [atm] type: Q, ref: 3088

! species:  tributyl acetylcitrate
! formula:  C_{20}H_{34}O_8
! trivial:  acetyl tributyl citrate
! casrn:    77-90-7
! inchikey: QZCLKYGREBVARF-UHFFFAOYSA-N
Hvpx______77_90_7 =  2.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  hexanedioic acid, bis[2-(2-butoxyethoxy)ethyl] ester
! formula:  C_{22}H_{42}O_8
! trivial:  bis(2-(2-butoxyethoxy)ethyl) adipate
! casrn:    141-17-3
! inchikey: SCABKEBYDRTODC-UHFFFAOYSA-N
Hvpx_____141_17_3 =  1.7E-08                                  ! [atm] type: Q, ref: 3088

! species:  1,2-benzenedicarboxylic acid, decyl octyl ester
! formula:  C_{26}H_{42}O_4
! trivial:  
! casrn:    119-07-3
! inchikey: LVAGMBHLXLZJKZ-UHFFFAOYSA-N
Hvpx_____119_07_3 =  1.2E+00                                  ! [atm] type: Q, ref: 3088

! species:  phthalic acid, isodecyl octyl ester
! formula:  C_{26}H_{42}O_4
! trivial:  
! casrn:    1330-96-7
! inchikey: UXLBXTIBYMXRNX-UHFFFAOYSA-N
Hvpx____1330_96_7 =  1.2E+00                                  ! [atm] type: Q, ref: 3088

! species:  diisononyl hexahydrophthalate
! formula:  C_{26}H_{48}O_4
! trivial:  
! casrn:    166412-78-8
! inchikey: HORIEOQXBKUKGQ-UHFFFAOYSA-N
Hvpx__166412_78_8 =  3.9E+00                                  ! [atm] type: Q, ref: 3088

! species:  decanedioic acid, bis(2-ethylhexyl) ester
! formula:  C_{26}H_{50}O_4
! trivial:  bis(2-ethylhexyl) sebacate
! casrn:    122-62-3
! inchikey: VJHINFRRDQUWOJ-UHFFFAOYSA-N
Hvpx_____122_62_3 =  4.7E+00                                  ! [atm] type: Q, ref: 3088

! species:  glycerol tricaprylate
! formula:  C_{27}H_{50}O_6
! trivial:  tricaprylin
! casrn:    538-23-8
! inchikey: VLPFTAMPNXLGLX-UHFFFAOYSA-N
Hvpx_____538_23_8 =  1.4E-03                                  ! [atm] type: Q, ref: 3088

! species:  tris(2-ethylhexyl) trimellitate
! formula:  C_{33}H_{54}O_6
! trivial:  
! casrn:    3319-31-1
! inchikey: KRADHMIOFJQKEZ-UHFFFAOYSA-N
Hvpx____3319_31_1 =  2.4E-02                                  ! [atm] type: Q, ref: 3088

! species:  MCM:CHOOCH2OOH
! formula:  C_2H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RHCLSHTZJFAXOU-UHFFFAOYSA-N
Hvpx_RHCLSHTZJFAXOU_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RHCLSHTZJFAXOU_UHFFFAOYSA_N =  7.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RHCLSHTZJFAXOU_UHFFFAOYSA_N =  8.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOOCHO
! formula:  C_2H_2O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VGGRCVDNFAQIKO-UHFFFAOYSA-N
Hvpx_VGGRCVDNFAQIKO_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VGGRCVDNFAQIKO_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VGGRCVDNFAQIKO_UHFFFAOYSA_N =  4.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOOMCO3H
! formula:  C_3H_4O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NYMJKVCDMUPZFI-UHFFFAOYSA-N
Hvpx_NYMJKVCDMUPZFI_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NYMJKVCDMUPZFI_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NYMJKVCDMUPZFI_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETHFORMOOH
! formula:  C_3H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DJECRZORXDSOEF-UHFFFAOYSA-N
Hvpx_DJECRZORXDSOEF_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DJECRZORXDSOEF_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DJECRZORXDSOEF_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MECOFOROOH
! formula:  C_3H_4O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: TUWVUCWHUYJQAO-UHFFFAOYSA-N
Hvpx_TUWVUCWHUYJQAO_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_TUWVUCWHUYJQAO_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_TUWVUCWHUYJQAO_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METACETHO
! formula:  C_3H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ORWKVZNEPHTCQE-UHFFFAOYSA-N
Hvpx_ORWKVZNEPHTCQE_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_ORWKVZNEPHTCQE_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ORWKVZNEPHTCQE_UHFFFAOYSA_N =  4.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METACETO2H
! formula:  C_3H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AIBRVUZTVKELQP-UHFFFAOYSA-N
Hvpx_AIBRVUZTVKELQP_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AIBRVUZTVKELQP_UHFFFAOYSA_N =  3.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AIBRVUZTVKELQP_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMCF
! formula:  C_3H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IIHOUWJOSQHHHH-UHFFFAOYSA-N
Hvpx_IIHOUWJOSQHHHH_UHFFFAOYSA_N =  3.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IIHOUWJOSQHHHH_UHFFFAOYSA_N =  7.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IIHOUWJOSQHHHH_UHFFFAOYSA_N =  1.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMCFOOH
! formula:  C_3H_4O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LQGPNTLGGGGYKM-UHFFFAOYSA-N
Hvpx_LQGPNTLGGGGYKM_UHFFFAOYSA_N =  4.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LQGPNTLGGGGYKM_UHFFFAOYSA_N =  9.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LQGPNTLGGGGYKM_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MOCOCH2OOH
! formula:  C_3H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OQIIXPHPHGKJRP-UHFFFAOYSA-N
Hvpx_OQIIXPHPHGKJRP_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OQIIXPHPHGKJRP_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OQIIXPHPHGKJRP_UHFFFAOYSA_N =  1.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACEC2H4OOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JNHNRXKAKFYQGM-UHFFFAOYSA-N
Hvpx_JNHNRXKAKFYQGM_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JNHNRXKAKFYQGM_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JNHNRXKAKFYQGM_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACETMECO3H
! formula:  C_4H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UCKKJLQTXHILBL-UHFFFAOYSA-N
Hvpx_UCKKJLQTXHILBL_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UCKKJLQTXHILBL_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UCKKJLQTXHILBL_UHFFFAOYSA_N =  7.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COO2C3CO3H
! formula:  C_4H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CKNWOSHDVKEZAO-UHFFFAOYSA-N
Hvpx_CKNWOSHDVKEZAO_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CKNWOSHDVKEZAO_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CKNWOSHDVKEZAO_UHFFFAOYSA_N =  2.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COO2C4OOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KATJWBCCJXQUDM-UHFFFAOYSA-N
Hvpx_KATJWBCCJXQUDM_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KATJWBCCJXQUDM_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KATJWBCCJXQUDM_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EOCOCH2OOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZDXGLRBKCRTGQP-UHFFFAOYSA-N
Hvpx_ZDXGLRBKCRTGQP_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDXGLRBKCRTGQP_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDXGLRBKCRTGQP_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETHACETOOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FITNUWWXWGTMFO-UHFFFAOYSA-N
Hvpx_FITNUWWXWGTMFO_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FITNUWWXWGTMFO_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FITNUWWXWGTMFO_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRFORMOOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DHNDYBGDIQCRQB-UHFFFAOYSA-N
Hvpx_DHNDYBGDIQCRQB_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DHNDYBGDIQCRQB_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DHNDYBGDIQCRQB_UHFFFAOYSA_N =  3.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  maleic anhydride
! formula:  C_4H_2O_3
! trivial:  MCM:MALANHY
! casrn:    108-31-6
! inchikey: FPYJFEHAWHCUMM-UHFFFAOYSA-N
Hvpx_____108_31_6 =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_31_6 =  4.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_31_6 =  5.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MECOACEOOH
! formula:  C_4H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZCPJTWSQAFRVMG-UHFFFAOYSA-N
Hvpx_ZCPJTWSQAFRVMG_UHFFFAOYSA_N =  5.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZCPJTWSQAFRVMG_UHFFFAOYSA_N =  8.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZCPJTWSQAFRVMG_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACCOETOOH
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MRPVYADEHOUTJI-UHFFFAOYSA-N
Hvpx_MRPVYADEHOUTJI_UHFFFAOYSA_N =  6.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MRPVYADEHOUTJI_UHFFFAOYSA_N =  9.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MRPVYADEHOUTJI_UHFFFAOYSA_N =  6.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACCOMECO3H
! formula:  C_5H_6O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: OSZJUWKUAMKWAM-UHFFFAOYSA-N
Hvpx_OSZJUWKUAMKWAM_UHFFFAOYSA_N =  4.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OSZJUWKUAMKWAM_UHFFFAOYSA_N =  6.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OSZJUWKUAMKWAM_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACETC2CO3H
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LEMDJBHCHPODAJ-UHFFFAOYSA-N
Hvpx_LEMDJBHCHPODAJ_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LEMDJBHCHPODAJ_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LEMDJBHCHPODAJ_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACETCOC2H5
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KLUDQUOLAFVLOL-UHFFFAOYSA-N
Hvpx_KLUDQUOLAFVLOL_UHFFFAOYSA_N =  4.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KLUDQUOLAFVLOL_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KLUDQUOLAFVLOL_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUFORMOOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HTFWPRQCJNWCFL-UHFFFAOYSA-N
Hvpx_HTFWPRQCJNWCFL_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HTFWPRQCJNWCFL_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HTFWPRQCJNWCFL_UHFFFAOYSA_N =  4.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COO2C4CO3H
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XFYUESMQFXHHIL-UHFFFAOYSA-N
Hvpx_XFYUESMQFXHHIL_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XFYUESMQFXHHIL_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XFYUESMQFXHHIL_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRACBCO3H
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IEXBKLGSFAHQBW-UHFFFAOYSA-N
Hvpx_IEXBKLGSFAHQBW_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IEXBKLGSFAHQBW_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IEXBKLGSFAHQBW_UHFFFAOYSA_N =  8.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRACBOOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HJBGHGSQOFAQDB-UHFFFAOYSA-N
Hvpx_HJBGHGSQOFAQDB_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HJBGHGSQOFAQDB_UHFFFAOYSA_N =  7.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HJBGHGSQOFAQDB_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRACOOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UMMAXRSQAGVERV-UHFFFAOYSA-N
Hvpx_UMMAXRSQAGVERV_UHFFFAOYSA_N =  4.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UMMAXRSQAGVERV_UHFFFAOYSA_N =  9.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UMMAXRSQAGVERV_UHFFFAOYSA_N =  3.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMALANHY
! formula:  C_5H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AYKYXWQEBUNJCN-UHFFFAOYSA-N
Hvpx_AYKYXWQEBUNJCN_UHFFFAOYSA_N =  4.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AYKYXWQEBUNJCN_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AYKYXWQEBUNJCN_UHFFFAOYSA_N =  6.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEAALOOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OJPAWJIXAIXDOD-UHFFFAOYSA-N
Hvpx_OJPAWJIXAIXDOD_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OJPAWJIXAIXDOD_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OJPAWJIXAIXDOD_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEALCO3H
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GVHAIIVWIJOUAR-UHFFFAOYSA-N
Hvpx_GVHAIIVWIJOUAR_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GVHAIIVWIJOUAR_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GVHAIIVWIJOUAR_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPRACAOOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BAISPQOWBPLMQI-UHFFFAOYSA-N
Hvpx_BAISPQOWBPLMQI_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BAISPQOWBPLMQI_UHFFFAOYSA_N =  7.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BAISPQOWBPLMQI_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPRACBOOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KUTULJFZWKOEBJ-UHFFFAOYSA-N
Hvpx_KUTULJFZWKOEBJ_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KUTULJFZWKOEBJ_UHFFFAOYSA_N =  3.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KUTULJFZWKOEBJ_UHFFFAOYSA_N =  5.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPRACCOOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GYDFEBDSBUDYEN-UHFFFAOYSA-N
Hvpx_GYDFEBDSBUDYEN_UHFFFAOYSA_N =  3.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GYDFEBDSBUDYEN_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GYDFEBDSBUDYEN_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRCOFORM
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JKMPLJUAEDQBOK-UHFFFAOYSA-N
Hvpx_JKMPLJUAEDQBOK_UHFFFAOYSA_N =  3.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_JKMPLJUAEDQBOK_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JKMPLJUAEDQBOK_UHFFFAOYSA_N =  4.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRCOFOROOH
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VVRRHCGIFBEYON-UHFFFAOYSA-N
Hvpx_VVRRHCGIFBEYON_UHFFFAOYSA_N =  4.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VVRRHCGIFBEYON_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VVRRHCGIFBEYON_UHFFFAOYSA_N =  6.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRCOOMOOH
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JALZRJAYIBRIKJ-UHFFFAOYSA-N
Hvpx_JALZRJAYIBRIKJ_UHFFFAOYSA_N =  3.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JALZRJAYIBRIKJ_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JALZRJAYIBRIKJ_UHFFFAOYSA_N =  2.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLFUONE
! formula:  C_5H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BGLUXFNVVSVEET-UHFFFAOYSA-N
Hvpx_BGLUXFNVVSVEET_UHFFFAOYSA_N =  1.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_BGLUXFNVVSVEET_UHFFFAOYSA_N =  3.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BGLUXFNVVSVEET_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACCOPROOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HNMHVARGKGGINS-UHFFFAOYSA-N
Hvpx_HNMHVARGKGGINS_UHFFFAOYSA_N =  6.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HNMHVARGKGGINS_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HNMHVARGKGGINS_UHFFFAOYSA_N =  3.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACETCOC3H7
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BVQHHUQLZPXYAQ-UHFFFAOYSA-N
Hvpx_BVQHHUQLZPXYAQ_UHFFFAOYSA_N =  5.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BVQHHUQLZPXYAQ_UHFFFAOYSA_N =  4.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BVQHHUQLZPXYAQ_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOCOCH2OOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DQCMTBDKSIDVDF-UHFFFAOYSA-N
Hvpx_DQCMTBDKSIDVDF_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DQCMTBDKSIDVDF_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DQCMTBDKSIDVDF_UHFFFAOYSA_N =  3.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMMALANHY
! formula:  C_6H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MFGALGYVFGDXIX-UHFFFAOYSA-N
Hvpx_MFGALGYVFGDXIX_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MFGALGYVFGDXIX_UHFFFAOYSA_N =  3.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MFGALGYVFGDXIX_UHFFFAOYSA_N =  6.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBFUONE
! formula:  C_6H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GOUILHYTHSOMQJ-UHFFFAOYSA-N
Hvpx_GOUILHYTHSOMQJ_UHFFFAOYSA_N =  1.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_GOUILHYTHSOMQJ_UHFFFAOYSA_N =  7.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GOUILHYTHSOMQJ_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EMALANHY
! formula:  C_6H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AXGOOCLYBPQWNG-UHFFFAOYSA-N
Hvpx_AXGOOCLYBPQWNG_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AXGOOCLYBPQWNG_UHFFFAOYSA_N =  5.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AXGOOCLYBPQWNG_UHFFFAOYSA_N =  9.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MCOOTBOOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GZZAVFPVGHHZEL-UHFFFAOYSA-N
Hvpx_GZZAVFPVGHHZEL_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GZZAVFPVGHHZEL_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GZZAVFPVGHHZEL_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYFUONE
! formula:  C_6H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SAXRUMLUKZBSTO-UHFFFAOYSA-N
Hvpx_SAXRUMLUKZBSTO_UHFFFAOYSA_N =  2.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_SAXRUMLUKZBSTO_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SAXRUMLUKZBSTO_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUACAOOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VUJYCIVMLKMZJB-UHFFFAOYSA-N
Hvpx_VUJYCIVMLKMZJB_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VUJYCIVMLKMZJB_UHFFFAOYSA_N =  9.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VUJYCIVMLKMZJB_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUACBOOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZDNJENJHBNLWSZ-UHFFFAOYSA-N
Hvpx_ZDNJENJHBNLWSZ_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDNJENJHBNLWSZ_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDNJENJHBNLWSZ_UHFFFAOYSA_N =  7.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUACCOOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CCXFYGGLIMLVCI-UHFFFAOYSA-N
Hvpx_CCXFYGGLIMLVCI_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CCXFYGGLIMLVCI_UHFFFAOYSA_N =  5.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CCXFYGGLIMLVCI_UHFFFAOYSA_N =  4.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRCOOMCO3H
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NIESGQMUWIIUQP-UHFFFAOYSA-N
Hvpx_NIESGQMUWIIUQP_UHFFFAOYSA_N =  2.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NIESGQMUWIIUQP_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NIESGQMUWIIUQP_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:SBUACAOOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XEFYSNUZBIEBQZ-UHFFFAOYSA-N
Hvpx_XEFYSNUZBIEBQZ_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XEFYSNUZBIEBQZ_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_XEFYSNUZBIEBQZ_UHFFFAOYSA_N =  5.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:SBUACBOOH
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SHPWQWOSZRJPCY-UHFFFAOYSA-N
Hvpx_SHPWQWOSZRJPCY_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SHPWQWOSZRJPCY_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SHPWQWOSZRJPCY_UHFFFAOYSA_N =  4.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TBUACCO3H
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CTLNPRHGCLAPPZ-UHFFFAOYSA-N
Hvpx_CTLNPRHGCLAPPZ_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CTLNPRHGCLAPPZ_UHFFFAOYSA_N =  4.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CTLNPRHGCLAPPZ_UHFFFAOYSA_N =  2.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TMB1FUONE
! formula:  C_6H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GLCOTRLUPUIAFI-UHFFFAOYSA-N
Hvpx_GLCOTRLUPUIAFI_UHFFFAOYSA_N =  2.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_GLCOTRLUPUIAFI_UHFFFAOYSA_N =  4.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GLCOTRLUPUIAFI_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBFUONE
! formula:  C_7H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: LWFKYUIZWLTJCA-UHFFFAOYSA-N
Hvpx_LWFKYUIZWLTJCA_UHFFFAOYSA_N =  2.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_LWFKYUIZWLTJCA_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LWFKYUIZWLTJCA_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPMALANHY
! formula:  C_7H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QSWLSAYLEATCSH-UHFFFAOYSA-N
Hvpx_QSWLSAYLEATCSH_UHFFFAOYSA_N =  5.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_QSWLSAYLEATCSH_UHFFFAOYSA_N =  8.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QSWLSAYLEATCSH_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MEBFUONE
! formula:  C_7H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: UVERQUDHQJYTIT-UHFFFAOYSA-N
Hvpx_UVERQUDHQJYTIT_UHFFFAOYSA_N =  2.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_UVERQUDHQJYTIT_UHFFFAOYSA_N =  1.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_UVERQUDHQJYTIT_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBFUONE
! formula:  C_7H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CLCLZCBNFSGUOD-UHFFFAOYSA-N
Hvpx_CLCLZCBNFSGUOD_UHFFFAOYSA_N =  2.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_CLCLZCBNFSGUOD_UHFFFAOYSA_N =  9.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CLCLZCBNFSGUOD_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PMALANHY
! formula:  C_7H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LPFJFXRQANKTRA-UHFFFAOYSA-N
Hvpx_LPFJFXRQANKTRA_UHFFFAOYSA_N =  6.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LPFJFXRQANKTRA_UHFFFAOYSA_N =  9.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LPFJFXRQANKTRA_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TMB2FUONE
! formula:  C_7H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OSFZDFIHIYXIEL-UHFFFAOYSA-N
Hvpx_OSFZDFIHIYXIEL_UHFFFAOYSA_N =  3.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_OSFZDFIHIYXIEL_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OSFZDFIHIYXIEL_UHFFFAOYSA_N =  3.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1013OOH
! formula:  C_{10}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BQYOGPDLQGPEQM-UHFFFAOYSA-N
Hvpx_BQYOGPDLQGPEQM_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BQYOGPDLQGPEQM_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BQYOGPDLQGPEQM_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1013CO3H
! formula:  C_{11}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZWRGNVXICSEPNH-UHFFFAOYSA-N
Hvpx_ZWRGNVXICSEPNH_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZWRGNVXICSEPNH_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZWRGNVXICSEPNH_UHFFFAOYSA_N =  4.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYFUONE
! formula:  C_5H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VGHBEMPMIVEGJP-UHFFFAOYSA-N
Hvpx_VGHBEMPMIVEGJP_UHFFFAOYSA_N =  2.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_VGHBEMPMIVEGJP_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VGHBEMPMIVEGJP_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYFUONE
! formula:  C_6H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: QHQDWCHELGHSTO-UHFFFAOYSA-N
Hvpx_QHQDWCHELGHSTO_UHFFFAOYSA_N =  3.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_QHQDWCHELGHSTO_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QHQDWCHELGHSTO_UHFFFAOYSA_N =  3.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOOCH2OH
! formula:  C_2H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: APUQIHKCZFWODD-UHFFFAOYSA-N
Hvpx_APUQIHKCZFWODD_UHFFFAOYSA_N =  3.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_APUQIHKCZFWODD_UHFFFAOYSA_N =  8.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_APUQIHKCZFWODD_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETHFORMOH
! formula:  C_3H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JRUKHAIVAGVYRP-UHFFFAOYSA-N
Hvpx_JRUKHAIVAGVYRP_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JRUKHAIVAGVYRP_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JRUKHAIVAGVYRP_UHFFFAOYSA_N =  7.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETOHOCHO
! formula:  C_3H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UKQJDWBNQNAJHB-UHFFFAOYSA-N
Hvpx_UKQJDWBNQNAJHB_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UKQJDWBNQNAJHB_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UKQJDWBNQNAJHB_UHFFFAOYSA_N =  2.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METACETOH
! formula:  C_3H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JYVNDCLJHKQUHE-UHFFFAOYSA-N
Hvpx_JYVNDCLJHKQUHE_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JYVNDCLJHKQUHE_UHFFFAOYSA_N =  5.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JYVNDCLJHKQUHE_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMCFOH
! formula:  C_3H_4O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XDYLYGBFMHJJOW-UHFFFAOYSA-N
Hvpx_XDYLYGBFMHJJOW_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XDYLYGBFMHJJOW_UHFFFAOYSA_N =  3.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XDYLYGBFMHJJOW_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MOXCOCH2OH
! formula:  C_3H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GSJFXBNYJCXDGI-UHFFFAOYSA-N
Hvpx_GSJFXBNYJCXDGI_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_GSJFXBNYJCXDGI_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GSJFXBNYJCXDGI_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACEETOHOOH
! formula:  C_4H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QQYYYRFGUJQKRH-UHFFFAOYSA-N
Hvpx_QQYYYRFGUJQKRH_UHFFFAOYSA_N =  6.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QQYYYRFGUJQKRH_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QQYYYRFGUJQKRH_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZFUOH
! formula:  C_4H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SGMJBNSHAZVGMC-UHFFFAOYSA-N
Hvpx_SGMJBNSHAZVGMC_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SGMJBNSHAZVGMC_UHFFFAOYSA_N =  1.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SGMJBNSHAZVGMC_UHFFFAOYSA_N =  3.3E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZFUOOH
! formula:  C_4H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LZJWYIKGTDPLAQ-UHFFFAOYSA-N
Hvpx_LZJWYIKGTDPLAQ_UHFFFAOYSA_N =  7.0E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_LZJWYIKGTDPLAQ_UHFFFAOYSA_N =  6.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LZJWYIKGTDPLAQ_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EOX2COMEOH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZANNOFHADGWOLI-UHFFFAOYSA-N
Hvpx_ZANNOFHADGWOLI_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_ZANNOFHADGWOLI_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZANNOFHADGWOLI_UHFFFAOYSA_N =  4.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETACETOH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HXDLWJWIAHWIKI-UHFFFAOYSA-N
Hvpx_HXDLWJWIAHWIKI_UHFFFAOYSA_N =  5.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HXDLWJWIAHWIKI_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HXDLWJWIAHWIKI_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETHACETOH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MLAFRLBDNVSLPE-UHFFFAOYSA-N
Hvpx_MLAFRLBDNVSLPE_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MLAFRLBDNVSLPE_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MLAFRLBDNVSLPE_UHFFFAOYSA_N =  7.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOACETEOOH
! formula:  C_4H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QWYGOSGRTMPWCI-UHFFFAOYSA-N
Hvpx_QWYGOSGRTMPWCI_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QWYGOSGRTMPWCI_UHFFFAOYSA_N =  9.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QWYGOSGRTMPWCI_UHFFFAOYSA_N =  9.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRFORMOH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SVJMGLNDGCVDIT-UHFFFAOYSA-N
Hvpx_SVJMGLNDGCVDIT_UHFFFAOYSA_N =  7.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SVJMGLNDGCVDIT_UHFFFAOYSA_N =  1.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SVJMGLNDGCVDIT_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MALANHY2OH
! formula:  C_4H_4O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BOGVTNYNTGOONP-UHFFFAOYSA-N
Hvpx_BOGVTNYNTGOONP_UHFFFAOYSA_N =  7.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_BOGVTNYNTGOONP_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_BOGVTNYNTGOONP_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MALANHYOOH
! formula:  C_4H_4O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UPSCPEYLZZUIND-UHFFFAOYSA-N
Hvpx_UPSCPEYLZZUIND_UHFFFAOYSA_N =  4.6E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_UPSCPEYLZZUIND_UHFFFAOYSA_N =  5.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UPSCPEYLZZUIND_UHFFFAOYSA_N =  4.2E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PROL2FORM
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CRMUFGZQBODVGS-UHFFFAOYSA-N
Hvpx_CRMUFGZQBODVGS_UHFFFAOYSA_N =  3.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CRMUFGZQBODVGS_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CRMUFGZQBODVGS_UHFFFAOYSA_N =  4.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUOHFORM
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KIZCCPGSHHAFRX-UHFFFAOYSA-N
Hvpx_KIZCCPGSHHAFRX_UHFFFAOYSA_N =  6.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KIZCCPGSHHAFRX_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KIZCCPGSHHAFRX_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRACBOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YJNKLTDJZSXVHQ-UHFFFAOYSA-N
Hvpx_YJNKLTDJZSXVHQ_UHFFFAOYSA_N =  5.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YJNKLTDJZSXVHQ_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YJNKLTDJZSXVHQ_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRACOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MYOAZFOMGTTYOD-UHFFFAOYSA-N
Hvpx_MYOAZFOMGTTYOD_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MYOAZFOMGTTYOD_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MYOAZFOMGTTYOD_UHFFFAOYSA_N =  4.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMALNHY2OH
! formula:  C_5H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DGWWNMWYNUWPBC-UHFFFAOYSA-N
Hvpx_DGWWNMWYNUWPBC_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_DGWWNMWYNUWPBC_UHFFFAOYSA_N =  8.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DGWWNMWYNUWPBC_UHFFFAOYSA_N =  3.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMALNHYOOH
! formula:  C_5H_6O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JNCHKPBVXWMPAJ-UHFFFAOYSA-N
Hvpx_JNCHKPBVXWMPAJ_UHFFFAOYSA_N =  8.6E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_JNCHKPBVXWMPAJ_UHFFFAOYSA_N =  8.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_JNCHKPBVXWMPAJ_UHFFFAOYSA_N =  7.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEACHOHO
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GQMJADBSHHFADW-UHFFFAOYSA-N
Hvpx_GQMJADBSHHFADW_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GQMJADBSHHFADW_UHFFFAOYSA_N =  7.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GQMJADBSHHFADW_UHFFFAOYSA_N =  6.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPRACAOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PPPFYBPQAPISCT-UHFFFAOYSA-N
Hvpx_PPPFYBPQAPISCT_UHFFFAOYSA_N =  5.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PPPFYBPQAPISCT_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PPPFYBPQAPISCT_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPRACBOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VEGXEWGKYMMJKP-UHFFFAOYSA-N
Hvpx_VEGXEWGKYMMJKP_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VEGXEWGKYMMJKP_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VEGXEWGKYMMJKP_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPRACCOH
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DOUBAFNWVFAWEC-UHFFFAOYSA-N
Hvpx_DOUBAFNWVFAWEC_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DOUBAFNWVFAWEC_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DOUBAFNWVFAWEC_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYFUOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OHTGZAWPVDWARE-UHFFFAOYSA-N
Hvpx_OHTGZAWPVDWARE_UHFFFAOYSA_N =  2.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OHTGZAWPVDWARE_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OHTGZAWPVDWARE_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYFUOOH
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IEFDVDGOIVKGRZ-UHFFFAOYSA-N
Hvpx_IEFDVDGOIVKGRZ_UHFFFAOYSA_N =  1.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IEFDVDGOIVKGRZ_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_IEFDVDGOIVKGRZ_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLFUOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JYHWQRJRDKSSIF-UHFFFAOYSA-N
Hvpx_JYHWQRJRDKSSIF_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JYHWQRJRDKSSIF_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JYHWQRJRDKSSIF_UHFFFAOYSA_N =  7.4E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLFUOOH
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GNXADMJANDYCAE-UHFFFAOYSA-N
Hvpx_GNXADMJANDYCAE_UHFFFAOYSA_N =  7.5E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_GNXADMJANDYCAE_UHFFFAOYSA_N =  5.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GNXADMJANDYCAE_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOX2COMOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VFGRALUHHHDIQI-UHFFFAOYSA-N
Hvpx_VFGRALUHHHDIQI_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VFGRALUHHHDIQI_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VFGRALUHHHDIQI_UHFFFAOYSA_N =  5.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMMALYOH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KIOPGGAGDHZEGB-UHFFFAOYSA-N
Hvpx_KIOPGGAGDHZEGB_UHFFFAOYSA_N =  2.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KIOPGGAGDHZEGB_UHFFFAOYSA_N =  4.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KIOPGGAGDHZEGB_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMMALYOOH
! formula:  C_6H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VRKLPKITGMCVQP-UHFFFAOYSA-N
Hvpx_VRKLPKITGMCVQP_UHFFFAOYSA_N =  1.6E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_VRKLPKITGMCVQP_UHFFFAOYSA_N =  6.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_VRKLPKITGMCVQP_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBFUOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AQSJHOPJZAKOAP-UHFFFAOYSA-N
Hvpx_AQSJHOPJZAKOAP_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AQSJHOPJZAKOAP_UHFFFAOYSA_N =  1.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_AQSJHOPJZAKOAP_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBFUOOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KIZOVCBYCQGADC-UHFFFAOYSA-N
Hvpx_KIZOVCBYCQGADC_UHFFFAOYSA_N =  9.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_KIZOVCBYCQGADC_UHFFFAOYSA_N =  6.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KIZOVCBYCQGADC_UHFFFAOYSA_N =  7.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EMALNHY2OH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GPJQUVLKFIAXFZ-UHFFFAOYSA-N
Hvpx_GPJQUVLKFIAXFZ_UHFFFAOYSA_N =  1.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GPJQUVLKFIAXFZ_UHFFFAOYSA_N =  6.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GPJQUVLKFIAXFZ_UHFFFAOYSA_N =  3.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EMALNHYOOH
! formula:  C_6H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LSSHMOINJMVLHQ-UHFFFAOYSA-N
Hvpx_LSSHMOINJMVLHQ_UHFFFAOYSA_N =  1.1E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_LSSHMOINJMVLHQ_UHFFFAOYSA_N =  6.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_LSSHMOINJMVLHQ_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYFUOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WCMYKJKBZGIGND-UHFFFAOYSA-N
Hvpx_WCMYKJKBZGIGND_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WCMYKJKBZGIGND_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WCMYKJKBZGIGND_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYFUOOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WCIMCWKIICZLLM-UHFFFAOYSA-N
Hvpx_WCIMCWKIICZLLM_UHFFFAOYSA_N =  1.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WCIMCWKIICZLLM_UHFFFAOYSA_N =  1.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WCIMCWKIICZLLM_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUACAOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KLUHZXMBIDAHSJ-UHFFFAOYSA-N
Hvpx_KLUHZXMBIDAHSJ_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KLUHZXMBIDAHSJ_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KLUHZXMBIDAHSJ_UHFFFAOYSA_N =  8.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUACBOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BZLQSYFOTWOIDC-UHFFFAOYSA-N
Hvpx_BZLQSYFOTWOIDC_UHFFFAOYSA_N =  6.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BZLQSYFOTWOIDC_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BZLQSYFOTWOIDC_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUACCOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BMNRJWUOBYYCRX-UHFFFAOYSA-N
Hvpx_BMNRJWUOBYYCRX_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BMNRJWUOBYYCRX_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BMNRJWUOBYYCRX_UHFFFAOYSA_N =  2.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYFUOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GZKXVWYDQQSODI-UHFFFAOYSA-N
Hvpx_GZKXVWYDQQSODI_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GZKXVWYDQQSODI_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GZKXVWYDQQSODI_UHFFFAOYSA_N =  3.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYFUOOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DHHFHIZBMAEZJT-UHFFFAOYSA-N
Hvpx_DHHFHIZBMAEZJT_UHFFFAOYSA_N =  2.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DHHFHIZBMAEZJT_UHFFFAOYSA_N =  2.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DHHFHIZBMAEZJT_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRCOOETOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GIOCILWWMFZESP-UHFFFAOYSA-N
Hvpx_GIOCILWWMFZESP_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GIOCILWWMFZESP_UHFFFAOYSA_N =  4.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GIOCILWWMFZESP_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:SBUACAOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WAXXMBOGFVJIHX-UHFFFAOYSA-N
Hvpx_WAXXMBOGFVJIHX_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WAXXMBOGFVJIHX_UHFFFAOYSA_N =  1.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WAXXMBOGFVJIHX_UHFFFAOYSA_N =  7.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:SBUACBOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BCWWODMTUXMSAB-UHFFFAOYSA-N
Hvpx_BCWWODMTUXMSAB_UHFFFAOYSA_N =  5.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BCWWODMTUXMSAB_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BCWWODMTUXMSAB_UHFFFAOYSA_N =  5.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TBOCOCH2OH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WINGEFIITRDOLJ-UHFFFAOYSA-N
Hvpx_WINGEFIITRDOLJ_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_WINGEFIITRDOLJ_UHFFFAOYSA_N =  3.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WINGEFIITRDOLJ_UHFFFAOYSA_N =  3.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TBUACOH
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GWOKHTMCBUZSOP-UHFFFAOYSA-N
Hvpx_GWOKHTMCBUZSOP_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GWOKHTMCBUZSOP_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GWOKHTMCBUZSOP_UHFFFAOYSA_N =  3.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TMB1FUOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AUTABLFJFWRKGZ-UHFFFAOYSA-N
Hvpx_AUTABLFJFWRKGZ_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AUTABLFJFWRKGZ_UHFFFAOYSA_N =  2.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_AUTABLFJFWRKGZ_UHFFFAOYSA_N =  3.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TMB1FUOOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NFODFJMABSYJFC-UHFFFAOYSA-N
Hvpx_NFODFJMABSYJFC_UHFFFAOYSA_N =  3.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_NFODFJMABSYJFC_UHFFFAOYSA_N =  7.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_NFODFJMABSYJFC_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXCOOLOOH
! formula:  C_7H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PDOIGHDIMNJPNL-UHFFFAOYSA-N
Hvpx_PDOIGHDIMNJPNL_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PDOIGHDIMNJPNL_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PDOIGHDIMNJPNL_UHFFFAOYSA_N =  5.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBFUOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZIPHTXAVHSYMQR-UHFFFAOYSA-N
Hvpx_ZIPHTXAVHSYMQR_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZIPHTXAVHSYMQR_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZIPHTXAVHSYMQR_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBFUOOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HVQWCSPFZPPNOE-UHFFFAOYSA-N
Hvpx_HVQWCSPFZPPNOE_UHFFFAOYSA_N =  1.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HVQWCSPFZPPNOE_UHFFFAOYSA_N =  7.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_HVQWCSPFZPPNOE_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPMLNHY2OH
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RBIJYTIBBLMIRU-UHFFFAOYSA-N
Hvpx_RBIJYTIBBLMIRU_UHFFFAOYSA_N =  1.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RBIJYTIBBLMIRU_UHFFFAOYSA_N =  4.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RBIJYTIBBLMIRU_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPMLNHYOOH
! formula:  C_7H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LGGLTRMSNOIPLU-UHFFFAOYSA-N
Hvpx_LGGLTRMSNOIPLU_UHFFFAOYSA_N =  1.2E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_LGGLTRMSNOIPLU_UHFFFAOYSA_N =  5.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_LGGLTRMSNOIPLU_UHFFFAOYSA_N =  5.8E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MEBFUOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SYHJYGJIPQZFIO-UHFFFAOYSA-N
Hvpx_SYHJYGJIPQZFIO_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SYHJYGJIPQZFIO_UHFFFAOYSA_N =  2.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SYHJYGJIPQZFIO_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MEBFUOOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VRHMFTJWRSNJLN-UHFFFAOYSA-N
Hvpx_VRHMFTJWRSNJLN_UHFFFAOYSA_N =  1.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_VRHMFTJWRSNJLN_UHFFFAOYSA_N =  3.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VRHMFTJWRSNJLN_UHFFFAOYSA_N =  2.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBFUOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DMMDFVMQHRHVSU-UHFFFAOYSA-N
Hvpx_DMMDFVMQHRHVSU_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DMMDFVMQHRHVSU_UHFFFAOYSA_N =  2.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DMMDFVMQHRHVSU_UHFFFAOYSA_N =  9.7E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBFUOOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KAMUACRVJWJEFX-UHFFFAOYSA-N
Hvpx_KAMUACRVJWJEFX_UHFFFAOYSA_N =  1.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KAMUACRVJWJEFX_UHFFFAOYSA_N =  8.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KAMUACRVJWJEFX_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PMALNHY2OH
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PVDNZCIFUUKKBS-UHFFFAOYSA-N
Hvpx_PVDNZCIFUUKKBS_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PVDNZCIFUUKKBS_UHFFFAOYSA_N =  6.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PVDNZCIFUUKKBS_UHFFFAOYSA_N =  4.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PMALNHYOOH
! formula:  C_7H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VKSMRBCXNQEUFP-UHFFFAOYSA-N
Hvpx_VKSMRBCXNQEUFP_UHFFFAOYSA_N =  1.3E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_VKSMRBCXNQEUFP_UHFFFAOYSA_N =  6.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_VKSMRBCXNQEUFP_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRCOOPROL
! formula:  C_7H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QXXGFEMAULVMST-UHFFFAOYSA-N
Hvpx_QXXGFEMAULVMST_UHFFFAOYSA_N =  8.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QXXGFEMAULVMST_UHFFFAOYSA_N =  4.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QXXGFEMAULVMST_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TMB2FUOH
! formula:  C_7H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YEQCQVSGZKCWAA-UHFFFAOYSA-N
Hvpx_YEQCQVSGZKCWAA_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YEQCQVSGZKCWAA_UHFFFAOYSA_N =  3.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YEQCQVSGZKCWAA_UHFFFAOYSA_N =  4.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TMB2FUOOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MINPHQZFUPUEBD-UHFFFAOYSA-N
Hvpx_MINPHQZFUPUEBD_UHFFFAOYSA_N =  2.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MINPHQZFUPUEBD_UHFFFAOYSA_N =  4.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MINPHQZFUPUEBD_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1013OH
! formula:  C_{10}H_{18}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OYGVMQZTRRRABW-UHFFFAOYSA-N
Hvpx_OYGVMQZTRRRABW_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OYGVMQZTRRRABW_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OYGVMQZTRRRABW_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ALCOMOXOOH
! formula:  C_3H_4O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DRQRCDXSDDWNEU-UHFFFAOYSA-N
Hvpx_DRQRCDXSDDWNEU_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DRQRCDXSDDWNEU_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DRQRCDXSDDWNEU_UHFFFAOYSA_N =  5.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DFC
! formula:  C_3H_2O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DOMHJQJKOPZSOM-UHFFFAOYSA-N
Hvpx_DOMHJQJKOPZSOM_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DOMHJQJKOPZSOM_UHFFFAOYSA_N =  7.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DOMHJQJKOPZSOM_UHFFFAOYSA_N =  4.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MOXY2CHO
! formula:  C_3H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MFRMAQFRVTUENW-UHFFFAOYSA-N
Hvpx_MFRMAQFRVTUENW_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MFRMAQFRVTUENW_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MFRMAQFRVTUENW_UHFFFAOYSA_N =  4.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MOXYCOCHO
! formula:  C_3H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KFKXSMSQHIOMSO-UHFFFAOYSA-N
Hvpx_KFKXSMSQHIOMSO_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KFKXSMSQHIOMSO_UHFFFAOYSA_N =  1.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KFKXSMSQHIOMSO_UHFFFAOYSA_N =  8.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACETETCHO
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GUPGZURVZDIQPM-UHFFFAOYSA-N
Hvpx_GUPGZURVZDIQPM_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GUPGZURVZDIQPM_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GUPGZURVZDIQPM_UHFFFAOYSA_N =  3.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO14O3CHO
! formula:  C_4H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZFWWLKBCHQUFEJ-UHFFFAOYSA-N
Hvpx_ZFWWLKBCHQUFEJ_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFWWLKBCHQUFEJ_UHFFFAOYSA_N =  4.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFWWLKBCHQUFEJ_UHFFFAOYSA_N =  6.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COO2C3CHO
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AGADEVQOWQDDFX-UHFFFAOYSA-N
Hvpx_AGADEVQOWQDDFX_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AGADEVQOWQDDFX_UHFFFAOYSA_N =  1.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AGADEVQOWQDDFX_UHFFFAOYSA_N =  5.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EOCOCHO
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DBPFRRFGLYGEJI-UHFFFAOYSA-N
Hvpx_DBPFRRFGLYGEJI_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DBPFRRFGLYGEJI_UHFFFAOYSA_N =  3.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DBPFRRFGLYGEJI_UHFFFAOYSA_N =  6.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACCOMECHO
! formula:  C_5H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GRUDDVNYUQQBCU-UHFFFAOYSA-N
Hvpx_GRUDDVNYUQQBCU_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GRUDDVNYUQQBCU_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GRUDDVNYUQQBCU_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACEC2CHO
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PRSPLAWXBFRHKV-UHFFFAOYSA-N
Hvpx_PRSPLAWXBFRHKV_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PRSPLAWXBFRHKV_UHFFFAOYSA_N =  3.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PRSPLAWXBFRHKV_UHFFFAOYSA_N =  7.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COO2C4CHO
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DLZVZNAPRCRXEG-UHFFFAOYSA-N
Hvpx_DLZVZNAPRCRXEG_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DLZVZNAPRCRXEG_UHFFFAOYSA_N =  4.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DLZVZNAPRCRXEG_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRACBCHO
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FXPPNKAYSGWCQG-UHFFFAOYSA-N
Hvpx_FXPPNKAYSGWCQG_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FXPPNKAYSGWCQG_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FXPPNKAYSGWCQG_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEACHO13
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MDWWHOIDIKOPHH-UHFFFAOYSA-N
Hvpx_MDWWHOIDIKOPHH_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MDWWHOIDIKOPHH_UHFFFAOYSA_N =  9.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MDWWHOIDIKOPHH_UHFFFAOYSA_N =  3.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXCOALOOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MZUJTBRWESAMQA-UHFFFAOYSA-N
Hvpx_MZUJTBRWESAMQA_UHFFFAOYSA_N =  3.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MZUJTBRWESAMQA_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MZUJTBRWESAMQA_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXCOCHO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NRYDRJHYTRBBEA-UHFFFAOYSA-N
Hvpx_NRYDRJHYTRBBEA_UHFFFAOYSA_N =  3.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NRYDRJHYTRBBEA_UHFFFAOYSA_N =  9.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NRYDRJHYTRBBEA_UHFFFAOYSA_N =  3.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C14O3ECHO
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FVLOJCOPOCRBFF-UHFFFAOYSA-N
Hvpx_FVLOJCOPOCRBFF_UHFFFAOYSA_N =  3.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FVLOJCOPOCRBFF_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FVLOJCOPOCRBFF_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRCOOMCHO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YEBNSRBQIIWQQC-UHFFFAOYSA-N
Hvpx_YEBNSRBQIIWQQC_UHFFFAOYSA_N =  3.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YEBNSRBQIIWQQC_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YEBNSRBQIIWQQC_UHFFFAOYSA_N =  5.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TBOCOCHO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WDPZTIFGRQKSEN-UHFFFAOYSA-N
Hvpx_WDPZTIFGRQKSEN_UHFFFAOYSA_N =  4.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WDPZTIFGRQKSEN_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_WDPZTIFGRQKSEN_UHFFFAOYSA_N =  3.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TBUACCO
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BYYPPVMBDPUHHR-UHFFFAOYSA-N
Hvpx_BYYPPVMBDPUHHR_UHFFFAOYSA_N =  4.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BYYPPVMBDPUHHR_UHFFFAOYSA_N =  8.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BYYPPVMBDPUHHR_UHFFFAOYSA_N =  9.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C14O3IPCHO
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NPPWDFRKAMDHMM-UHFFFAOYSA-N
Hvpx_NPPWDFRKAMDHMM_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NPPWDFRKAMDHMM_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NPPWDFRKAMDHMM_UHFFFAOYSA_N =  7.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C14O3PCHO
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GNODSIBUYMXKGR-UHFFFAOYSA-N
Hvpx_GNODSIBUYMXKGR_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GNODSIBUYMXKGR_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GNODSIBUYMXKGR_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1014OOH
! formula:  C_{10}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: REYZAYCUYYNPLJ-UHFFFAOYSA-N
Hvpx_REYZAYCUYYNPLJ_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_REYZAYCUYYNPLJ_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_REYZAYCUYYNPLJ_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCALBOC
! formula:  C_{15}H_{24}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FEPYZLRQFOQWRK-UHFFFAOYSA-N
Hvpx_FEPYZLRQFOQWRK_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FEPYZLRQFOQWRK_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FEPYZLRQFOQWRK_UHFFFAOYSA_N =  6.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOOMCO2H
! formula:  C_3H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CBNAABWGSNQFTA-UHFFFAOYSA-N
Hvpx_CBNAABWGSNQFTA_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CBNAABWGSNQFTA_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CBNAABWGSNQFTA_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1014OH
! formula:  C_{10}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IJPJFXOOJHUBTK-UHFFFAOYSA-N
Hvpx_IJPJFXOOJHUBTK_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IJPJFXOOJHUBTK_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IJPJFXOOJHUBTK_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C152OH
! formula:  C_{15}H_{26}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XZXFZFZFZSKVDT-UHFFFAOYSA-N
Hvpx_XZXFZFZFZSKVDT_UHFFFAOYSA_N =  2.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XZXFZFZFZSKVDT_UHFFFAOYSA_N =  5.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XZXFZFZFZSKVDT_UHFFFAOYSA_N =  3.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C152OOH
! formula:  C_{15}H_{26}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: PKQOWOPWICZSPN-UHFFFAOYSA-N
Hvpx_PKQOWOPWICZSPN_UHFFFAOYSA_N =  2.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PKQOWOPWICZSPN_UHFFFAOYSA_N =  2.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PKQOWOPWICZSPN_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3CHO
! formula:  C_4H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RULCSXTUAHNYHJ-UHFFFAOYSA-N
Hvpx_RULCSXTUAHNYHJ_UHFFFAOYSA_N =  4.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RULCSXTUAHNYHJ_UHFFFAOYSA_N =  7.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RULCSXTUAHNYHJ_UHFFFAOYSA_N =  8.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MCOCOMOOOH
! formula:  C_4H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BJTKGFWDIAZUGI-UHFFFAOYSA-N
Hvpx_BJTKGFWDIAZUGI_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BJTKGFWDIAZUGI_UHFFFAOYSA_N =  2.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BJTKGFWDIAZUGI_UHFFFAOYSA_N =  4.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MCOCOMOX
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CWKLZLBVOJRSOM-UHFFFAOYSA-N
Hvpx_CWKLZLBVOJRSOM_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CWKLZLBVOJRSOM_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CWKLZLBVOJRSOM_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRNFORMOOH
! formula:  C_4H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LIFMXPSJWIBAGH-UHFFFAOYSA-N
Hvpx_LIFMXPSJWIBAGH_UHFFFAOYSA_N =  2.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LIFMXPSJWIBAGH_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LIFMXPSJWIBAGH_UHFFFAOYSA_N =  2.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRONFORM
! formula:  C_4H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WNVAJGCMEDTLIE-UHFFFAOYSA-N
Hvpx_WNVAJGCMEDTLIE_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WNVAJGCMEDTLIE_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WNVAJGCMEDTLIE_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACCOCOMOOH
! formula:  C_5H_6O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: WKJHUBLAYZIBAJ-UHFFFAOYSA-N
Hvpx_WKJHUBLAYZIBAJ_UHFFFAOYSA_N =  8.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WKJHUBLAYZIBAJ_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WKJHUBLAYZIBAJ_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACECOCOCH3
! formula:  C_5H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OBTVATRSWTWNGS-UHFFFAOYSA-N
Hvpx_OBTVATRSWTWNGS_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OBTVATRSWTWNGS_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OBTVATRSWTWNGS_UHFFFAOYSA_N =  6.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACEPROPONE
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DBERHVIZRVGDFO-UHFFFAOYSA-N
Hvpx_DBERHVIZRVGDFO_UHFFFAOYSA_N =  3.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DBERHVIZRVGDFO_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DBERHVIZRVGDFO_UHFFFAOYSA_N =  6.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACPRONEOOH
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FOWIMBLOPIOWII-UHFFFAOYSA-N
Hvpx_FOWIMBLOPIOWII_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FOWIMBLOPIOWII_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FOWIMBLOPIOWII_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3CCO3H
! formula:  C_5H_6O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: SPYAIQASSDQEIX-UHFFFAOYSA-N
Hvpx_SPYAIQASSDQEIX_UHFFFAOYSA_N =  3.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SPYAIQASSDQEIX_UHFFFAOYSA_N =  9.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SPYAIQASSDQEIX_UHFFFAOYSA_N =  4.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3MCOOH
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RVGUYYZMHBERKG-UHFFFAOYSA-N
Hvpx_RVGUYYZMHBERKG_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RVGUYYZMHBERKG_UHFFFAOYSA_N =  8.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RVGUYYZMHBERKG_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRNOCOMOOH
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GJTAOZDAMDVHTP-UHFFFAOYSA-N
Hvpx_GJTAOZDAMDVHTP_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GJTAOZDAMDVHTP_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GJTAOZDAMDVHTP_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACBUOAOOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BDHJVYCZNHBETI-UHFFFAOYSA-N
Hvpx_BDHJVYCZNHBETI_UHFFFAOYSA_N =  4.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BDHJVYCZNHBETI_UHFFFAOYSA_N =  4.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BDHJVYCZNHBETI_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACBUONBOOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RISONYRIGLPILV-UHFFFAOYSA-N
Hvpx_RISONYRIGLPILV_UHFFFAOYSA_N =  4.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RISONYRIGLPILV_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RISONYRIGLPILV_UHFFFAOYSA_N =  4.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACCOCOC2H5
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WZGYRWNUCYXCFD-UHFFFAOYSA-N
Hvpx_WZGYRWNUCYXCFD_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WZGYRWNUCYXCFD_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WZGYRWNUCYXCFD_UHFFFAOYSA_N =  1.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACCOCOEOOH
! formula:  C_6H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: RKPSGJVLERUIIG-UHFFFAOYSA-N
Hvpx_RKPSGJVLERUIIG_UHFFFAOYSA_N =  9.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RKPSGJVLERUIIG_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RKPSGJVLERUIIG_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACCOPRONE
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RYLHMXPGTMYTTF-UHFFFAOYSA-N
Hvpx_RYLHMXPGTMYTTF_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RYLHMXPGTMYTTF_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RYLHMXPGTMYTTF_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACEBUTBONE
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LHGWJCBYBIICPP-UHFFFAOYSA-N
Hvpx_LHGWJCBYBIICPP_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LHGWJCBYBIICPP_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LHGWJCBYBIICPP_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACEBUTONE
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NWCYECXHIYEBJE-UHFFFAOYSA-N
Hvpx_NWCYECXHIYEBJE_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NWCYECXHIYEBJE_UHFFFAOYSA_N =  3.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NWCYECXHIYEBJE_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACOMCOMOOH
! formula:  C_6H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: NKXSSYAJYGYQPN-UHFFFAOYSA-N
Hvpx_NKXSSYAJYGYQPN_UHFFFAOYSA_N =  1.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NKXSSYAJYGYQPN_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NKXSSYAJYGYQPN_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3ECOOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NLYPTRYHUBHKKI-UHFFFAOYSA-N
Hvpx_NLYPTRYHUBHKKI_UHFFFAOYSA_N =  4.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NLYPTRYHUBHKKI_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NLYPTRYHUBHKKI_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3EHO
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AIDIMUPPUNPUTI-UHFFFAOYSA-N
Hvpx_AIDIMUPPUNPUTI_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AIDIMUPPUNPUTI_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AIDIMUPPUNPUTI_UHFFFAOYSA_N =  1.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3MCO3H
! formula:  C_6H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: FIPISRZHVPVVNA-UHFFFAOYSA-N
Hvpx_FIPISRZHVPVVNA_UHFFFAOYSA_N =  3.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FIPISRZHVPVVNA_UHFFFAOYSA_N =  4.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FIPISRZHVPVVNA_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6O4KETOOH
! formula:  C_6H_6O_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: LLKUMVBDCSCXDR-UHFFFAOYSA-N
Hvpx_LLKUMVBDCSCXDR_UHFFFAOYSA_N =  1.5E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_LLKUMVBDCSCXDR_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LLKUMVBDCSCXDR_UHFFFAOYSA_N =  4.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6OTKETCO
! formula:  C_6H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GAPVBMQBWAUBHC-UHFFFAOYSA-N
Hvpx_GAPVBMQBWAUBHC_UHFFFAOYSA_N =  9.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GAPVBMQBWAUBHC_UHFFFAOYSA_N =  5.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GAPVBMQBWAUBHC_UHFFFAOYSA_N =  1.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6OTKETOOH
! formula:  C_6H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: USMDUVUWRKQXQG-UHFFFAOYSA-N
Hvpx_USMDUVUWRKQXQG_UHFFFAOYSA_N =  7.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_USMDUVUWRKQXQG_UHFFFAOYSA_N =  6.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_USMDUVUWRKQXQG_UHFFFAOYSA_N =  8.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6OTRIKET
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XAHWCAXZWOTSBC-UHFFFAOYSA-N
Hvpx_XAHWCAXZWOTSBC_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XAHWCAXZWOTSBC_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XAHWCAXZWOTSBC_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO356OCOOH
! formula:  C_6H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: MVKXXKVCXUKLOS-UHFFFAOYSA-N
Hvpx_MVKXXKVCXUKLOS_UHFFFAOYSA_N =  9.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MVKXXKVCXUKLOS_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MVKXXKVCXUKLOS_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:SBUACCOOH
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DTGNYNGASXJUMP-UHFFFAOYSA-N
Hvpx_DTGNYNGASXJUMP_UHFFFAOYSA_N =  6.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DTGNYNGASXJUMP_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DTGNYNGASXJUMP_UHFFFAOYSA_N =  4.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:SBUACEONE
! formula:  C_6H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZKPTYCJWRHHBOW-UHFFFAOYSA-N
Hvpx_ZKPTYCJWRHHBOW_UHFFFAOYSA_N =  3.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZKPTYCJWRHHBOW_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZKPTYCJWRHHBOW_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOX2COMOOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YCDXONIQHOVSSF-UHFFFAOYSA-N
Hvpx_YCDXONIQHOVSSF_UHFFFAOYSA_N =  6.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YCDXONIQHOVSSF_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YCDXONIQHOVSSF_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXCOCOME
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZAZUOXBHFXAWMD-UHFFFAOYSA-N
Hvpx_ZAZUOXBHFXAWMD_UHFFFAOYSA_N =  4.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZAZUOXBHFXAWMD_UHFFFAOYSA_N =  8.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZAZUOXBHFXAWMD_UHFFFAOYSA_N =  4.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3ECO3H
! formula:  C_7H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: FWVKIPPVGIEQRB-UHFFFAOYSA-N
Hvpx_FWVKIPPVGIEQRB_UHFFFAOYSA_N =  3.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FWVKIPPVGIEQRB_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FWVKIPPVGIEQRB_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC6OTKTOOH
! formula:  C_7H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DJTBKMNUYULRIV-UHFFFAOYSA-N
Hvpx_DJTBKMNUYULRIV_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_DJTBKMNUYULRIV_UHFFFAOYSA_N =  5.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DJTBKMNUYULRIV_UHFFFAOYSA_N =  3.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC6OTRIKET
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FJYCWZCSXDGURV-UHFFFAOYSA-N
Hvpx_FJYCWZCSXDGURV_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FJYCWZCSXDGURV_UHFFFAOYSA_N =  9.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FJYCWZCSXDGURV_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRCOOPRONE
! formula:  C_7H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AIJLJYUDTAJRDN-UHFFFAOYSA-N
Hvpx_AIJLJYUDTAJRDN_UHFFFAOYSA_N =  4.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AIJLJYUDTAJRDN_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AIJLJYUDTAJRDN_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRNOCOPOOH
! formula:  C_7H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RGEURRORAZXRIV-UHFFFAOYSA-N
Hvpx_RGEURRORAZXRIV_UHFFFAOYSA_N =  6.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RGEURRORAZXRIV_UHFFFAOYSA_N =  8.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RGEURRORAZXRIV_UHFFFAOYSA_N =  3.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1013CO
! formula:  C_{10}H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DPRGOCIPALHGLN-UHFFFAOYSA-N
Hvpx_DPRGOCIPALHGLN_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DPRGOCIPALHGLN_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DPRGOCIPALHGLN_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZFUCO
! formula:  C_4H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MFFNSLKCUZEAFI-UHFFFAOYSA-N
Hvpx_MFFNSLKCUZEAFI_UHFFFAOYSA_N =  4.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MFFNSLKCUZEAFI_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MFFNSLKCUZEAFI_UHFFFAOYSA_N =  5.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MALNHYOHCO
! formula:  C_4H_2O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DBWAPECJPVXLJZ-UHFFFAOYSA-N
Hvpx_DBWAPECJPVXLJZ_UHFFFAOYSA_N =  2.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DBWAPECJPVXLJZ_UHFFFAOYSA_N =  5.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DBWAPECJPVXLJZ_UHFFFAOYSA_N =  5.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACPRONEOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LBOLMEABDOYQGX-UHFFFAOYSA-N
Hvpx_LBOLMEABDOYQGX_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LBOLMEABDOYQGX_UHFFFAOYSA_N =  4.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LBOLMEABDOYQGX_UHFFFAOYSA_N =  7.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3MOH
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WHFDSTOTVFOUIH-UHFFFAOYSA-N
Hvpx_WHFDSTOTVFOUIH_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WHFDSTOTVFOUIH_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WHFDSTOTVFOUIH_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACBUONAOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UGJVDYQVVBKWGL-UHFFFAOYSA-N
Hvpx_UGJVDYQVVBKWGL_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UGJVDYQVVBKWGL_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UGJVDYQVVBKWGL_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACBUONBOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GYQPXJWBTJDNGC-UHFFFAOYSA-N
Hvpx_GYQPXJWBTJDNGC_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GYQPXJWBTJDNGC_UHFFFAOYSA_N =  8.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GYQPXJWBTJDNGC_UHFFFAOYSA_N =  7.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3EOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BVDDSYZMRAYYIJ-UHFFFAOYSA-N
Hvpx_BVDDSYZMRAYYIJ_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BVDDSYZMRAYYIJ_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BVDDSYZMRAYYIJ_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6OTKETOH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NOUUUBJIFPBZMZ-UHFFFAOYSA-N
Hvpx_NOUUUBJIFPBZMZ_UHFFFAOYSA_N =  1.2E-05 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_NOUUUBJIFPBZMZ_UHFFFAOYSA_N =  3.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NOUUUBJIFPBZMZ_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NOUUUBJIFPBZMZ_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBFUCO
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QFGGPABGKQEYQI-UHFFFAOYSA-N
Hvpx_QFGGPABGKQEYQI_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QFGGPABGKQEYQI_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QFGGPABGKQEYQI_UHFFFAOYSA_N =  7.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:SBUACCOH
! formula:  C_6H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SUDJMSTXSVVFNQ-UHFFFAOYSA-N
Hvpx_SUDJMSTXSVVFNQ_UHFFFAOYSA_N =  3.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SUDJMSTXSVVFNQ_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SUDJMSTXSVVFNQ_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBFUCO
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NHSFIZKDULUUEP-UHFFFAOYSA-N
Hvpx_NHSFIZKDULUUEP_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NHSFIZKDULUUEP_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NHSFIZKDULUUEP_UHFFFAOYSA_N =  7.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC6OTKETOH
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GQVIXHCRVNFYGI-UHFFFAOYSA-N
Hvpx_GQVIXHCRVNFYGI_UHFFFAOYSA_N =  6.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GQVIXHCRVNFYGI_UHFFFAOYSA_N =  7.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GQVIXHCRVNFYGI_UHFFFAOYSA_N =  5.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBFUCO
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PKKIVTPUHZVJRM-UHFFFAOYSA-N
Hvpx_PKKIVTPUHZVJRM_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PKKIVTPUHZVJRM_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PKKIVTPUHZVJRM_UHFFFAOYSA_N =  7.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3CCHO
! formula:  C_5H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JQZIMULKJBYVEJ-UHFFFAOYSA-N
Hvpx_JQZIMULKJBYVEJ_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JQZIMULKJBYVEJ_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JQZIMULKJBYVEJ_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3MCHO
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KNKMVXKCHLTCEX-UHFFFAOYSA-N
Hvpx_KNKMVXKCHLTCEX_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KNKMVXKCHLTCEX_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KNKMVXKCHLTCEX_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5OCO3M
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MFFVRQLCBYBQSQ-UHFFFAOYSA-N
Hvpx_MFFVRQLCBYBQSQ_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MFFVRQLCBYBQSQ_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MFFVRQLCBYBQSQ_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3ECHO
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RCPFVGJRKWBYKE-UHFFFAOYSA-N
Hvpx_RCPFVGJRKWBYKE_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RCPFVGJRKWBYKE_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RCPFVGJRKWBYKE_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1014CO
! formula:  C_{10}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MPJVRMHYAPYGFM-UHFFFAOYSA-N
Hvpx_MPJVRMHYAPYGFM_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MPJVRMHYAPYGFM_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MPJVRMHYAPYGFM_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCLKBOC
! formula:  C_{14}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YETGIZICMMLUOK-UHFFFAOYSA-N
Hvpx_YETGIZICMMLUOK_UHFFFAOYSA_N =  7.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YETGIZICMMLUOK_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YETGIZICMMLUOK_UHFFFAOYSA_N =  9.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C148CO
! formula:  C_{14}H_{20}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WKRISEJACIFSSJ-UHFFFAOYSA-N
Hvpx_WKRISEJACIFSSJ_UHFFFAOYSA_N =  9.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WKRISEJACIFSSJ_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WKRISEJACIFSSJ_UHFFFAOYSA_N =  3.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C148OOH
! formula:  C_{14}H_{22}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: QNGFZXSUHFZFIE-UHFFFAOYSA-N
Hvpx_QNGFZXSUHFZFIE_UHFFFAOYSA_N =  8.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_QNGFZXSUHFZFIE_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QNGFZXSUHFZFIE_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C148OH
! formula:  C_{14}H_{22}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LXDPLKVHKWYPKP-UHFFFAOYSA-N
Hvpx_LXDPLKVHKWYPKP_UHFFFAOYSA_N =  4.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LXDPLKVHKWYPKP_UHFFFAOYSA_N =  7.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LXDPLKVHKWYPKP_UHFFFAOYSA_N =  5.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACETC2CO2H
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RFEXARYJXBYPLD-UHFFFAOYSA-N
Hvpx_RFEXARYJXBYPLD_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RFEXARYJXBYPLD_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RFEXARYJXBYPLD_UHFFFAOYSA_N =  8.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C24O3CCO2H
! formula:  C_5H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HSSKPURIBYAXCO-UHFFFAOYSA-N
Hvpx_HSSKPURIBYAXCO_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HSSKPURIBYAXCO_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HSSKPURIBYAXCO_UHFFFAOYSA_N =  7.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRACBCO2H
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WTLNOANVTIKPEE-UHFFFAOYSA-N
Hvpx_WTLNOANVTIKPEE_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WTLNOANVTIKPEE_UHFFFAOYSA_N =  7.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WTLNOANVTIKPEE_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEALCO2H
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BXXOFUQIACXFIW-UHFFFAOYSA-N
Hvpx_BXXOFUQIACXFIW_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BXXOFUQIACXFIW_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BXXOFUQIACXFIW_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1013CO2H
! formula:  C_{11}H_{18}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QWGCLZMSSSTRLX-UHFFFAOYSA-N
Hvpx_QWGCLZMSSSTRLX_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QWGCLZMSSSTRLX_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QWGCLZMSSSTRLX_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO14O3CO2H
! formula:  C_4H_4O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OPFWUCMVKDVVTF-UHFFFAOYSA-N
Hvpx_OPFWUCMVKDVVTF_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OPFWUCMVKDVVTF_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OPFWUCMVKDVVTF_UHFFFAOYSA_N =  3.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3CCO2H
! formula:  C_5H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WRKCXTWVOWDGBE-UHFFFAOYSA-N
Hvpx_WRKCXTWVOWDGBE_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WRKCXTWVOWDGBE_UHFFFAOYSA_N =  6.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WRKCXTWVOWDGBE_UHFFFAOYSA_N =  3.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3MCO2H
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OGSBZWITKXVLIV-UHFFFAOYSA-N
Hvpx_OGSBZWITKXVLIV_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OGSBZWITKXVLIV_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OGSBZWITKXVLIV_UHFFFAOYSA_N =  5.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3ECO2H
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OEONINCNUUTEPU-UHFFFAOYSA-N
Hvpx_OEONINCNUUTEPU_UHFFFAOYSA_N =  3.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OEONINCNUUTEPU_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OEONINCNUUTEPU_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  dimethyl ether
! formula:  CH_3OCH_3
! trivial:  
! casrn:    115-10-6
! inchikey: LCGLNKUTAGEVQW-UHFFFAOYSA-N
Hvpx_____115_10_6 =  5.5E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____115_10_6 =  3.3E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____115_10_6 =  7.2E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____115_10_6 =  4.3E+00                                  ! [atm] type: V, ref: 635
Hvpx_____115_10_6 =  5.5E+01                                  ! [atm] type: V, ref: 642
Hvpx_____115_10_6 =  5.6E+01                                  ! [atm] type: R, ref: 714
Hvpx_____115_10_6 =  5.5E+01 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx_____115_10_6 =  3.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____115_10_6 =  8.4E+01                                  ! [atm] type: Q, ref: 3728
Hvpx_____115_10_6 =  1.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____115_10_6 =  1.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_10_6 =  1.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_10_6 =  5.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_10_6 =  7.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____115_10_6 =  3.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____115_10_6 =  3.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____115_10_6 =  3.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____115_10_6 =  7.3E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____115_10_6 =  6.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____115_10_6 =  2.5E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____115_10_6 =  1.0E+01                                  ! [atm] type: Q, ref: 731
Hvpx_____115_10_6 =  4.4E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____115_10_6 =  3.7E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____115_10_6 =  8.7E+01                                  ! [atm] type: ?, ref: 3614
Hvpx_____115_10_6 =  5.5E+01                                  ! [atm] type: ?, ref: 1500

! species:  ethyl methyl ether
! formula:  C_2H_5OCH_3
! trivial:  
! casrn:    540-67-0
! inchikey: XOBKSJJDNFUZPF-UHFFFAOYSA-N
Hvpx_____540_67_0 =  6.6E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____540_67_0 =  3.9E+01                                  ! [atm] type: T, ref: 2016
Hvpx_____540_67_0 =  2.9E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____540_67_0 =  3.7E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____540_67_0 =  3.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____540_67_0 =  1.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____540_67_0 =  5.6E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____540_67_0 =  2.9E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____540_67_0 =  6.1E+01                                  ! [atm] type: E, ref: 588
Hvpx_____540_67_0 =  3.1E+01                                  ! [atm] type: ?, ref: 2440

! species:  diethyl ether
! formula:  C_2H_5OC_2H_5
! trivial:  
! casrn:    60-29-7
! inchikey: RTZKZFJDLAIYFH-UHFFFAOYSA-N
Hvpx______60_29_7 =  5.5E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______60_29_7 =  2.8E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______60_29_7 =  5.5E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______60_29_7 =  1.1E+02                                  ! [atm] type: L, ref: 2441
Hvpx______60_29_7 =  5.7E+01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx______60_29_7 =  4.8E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______60_29_7 =  5.8E+00                                  ! [atm] type: M, ref: 2955
Hvpx______60_29_7 =  5.3E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3305
Hvpx______60_29_7 =  4.8E+01                                  ! [atm] type: M, ref: 622
Hvpx______60_29_7 =  1.7E+02                                  ! [atm] type: M, ref: 3675
Hvpx______60_29_7 =  7.8E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2901
Hvpx______60_29_7 =  8.6E+01                                  ! [atm] type: M, ref: 2924
Hvpx______60_29_7 =  4.1E+01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3697
Hvpx______60_29_7 =  8.7E+01                                  ! [atm] type: M, ref: 3698
Hvpx______60_29_7 =  7.0E+01                                  ! [atm] type: M, ref: 795
Hvpx______60_29_7 =  1.1E+02                                  ! [atm] type: M, ref: 3699
Hvpx______60_29_7 =  4.8E+01                                  ! [atm] type: V, ref: 2613
Hvpx______60_29_7 =  5.4E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 3693
Hvpx______60_29_7 =  4.8E+01                                  ! [atm] type: V, ref: 635
Hvpx______60_29_7 =  6.3E+01                                  ! [atm] type: V, ref: 2439
Hvpx______60_29_7 =  4.9E+01                                  ! [atm] type: V, ref: 714
Hvpx______60_29_7 =  4.9E+01                                  ! [atm] type: V, ref: 713
Hvpx______60_29_7 =  9.0E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx______60_29_7 =  4.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______60_29_7 =  1.3E+02                                  ! [atm] type: Q, ref: 3730
Hvpx______60_29_7 =  8.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______60_29_7 =  2.6E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______60_29_7 =  3.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______60_29_7 =  2.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______60_29_7 =  7.1E+01                                  ! [atm] type: Q, ref: 3689
Hvpx______60_29_7 =  4.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx______60_29_7 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______60_29_7 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______60_29_7 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______60_29_7 =  4.8E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______60_29_7 =  7.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______60_29_7 =  4.2E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______60_29_7 =  6.3E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______60_29_7 =  2.3E+01                                  ! [atm] type: Q, ref: 2543
Hvpx______60_29_7 =  4.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______60_29_7 =  3.2E+02                                  ! [atm] type: Q, ref: 984
Hvpx______60_29_7 =  1.2E+01                                  ! [atm] type: Q, ref: 731
Hvpx______60_29_7 =  7.4E+01                                  ! [atm] type: Q, ref: 1162
Hvpx______60_29_7 =  6.8E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______60_29_7 =  4.5E+01                                  ! [atm] type: ?, ref: 2440
Hvpx______60_29_7 =  9.4E+01                                  ! [atm] type: ?, ref: 3614
Hvpx______60_29_7 =  7.1E+01                                  ! [atm] type: ?, ref: 637
Hvpx______60_29_7 =  9.2E+01                                  ! [atm] type: ?, ref: 1500

! species:  diethyl ether-d10
! formula:  C_2D_5OC_2D_5
! trivial:  
! casrn:    2679-89-2
! inchikey: RTZKZFJDLAIYFH-MWUKXHIBSA-N
Hvpx____2679_89_2 =  4.2E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  methyl propyl ether
! formula:  CH_3OC_3H_7
! trivial:  
! casrn:    557-17-5
! inchikey: VNKYTQGIUYNRMY-UHFFFAOYSA-N
Hvpx_____557_17_5 =  8.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____557_17_5 =  8.2E+01                                  ! [atm] type: V, ref: 1145
Hvpx_____557_17_5 =  8.2E+01                                  ! [atm] type: V, ref: 642
Hvpx_____557_17_5 =  7.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____557_17_5 =  2.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____557_17_5 =  1.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____557_17_5 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____557_17_5 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____557_17_5 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____557_17_5 =  6.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____557_17_5 =  5.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____557_17_5 =  8.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____557_17_5 =  5.1E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____557_17_5 =  3.6E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____557_17_5 =  7.4E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____557_17_5 =  8.4E+01                                  ! [atm] type: Q, ref: 1145
Hvpx_____557_17_5 =  7.9E+01                                  ! [atm] type: ?, ref: 2440

! species:  methyl 2-propyl ether
! formula:  CH_3OC_3H_7
! trivial:  methyl isopropyl ether
! casrn:    598-53-8
! inchikey: RMGHERXMTMUMMV-UHFFFAOYSA-N
Hvpx_____598_53_8 =  5.0E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____598_53_8 =  4.6E+01                                  ! [atm] type: V, ref: 642
Hvpx_____598_53_8 =  4.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____598_53_8 =  4.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____598_53_8 =  7.7E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____598_53_8 =  7.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____598_53_8 =  4.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____598_53_8 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____598_53_8 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____598_53_8 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____598_53_8 =  4.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____598_53_8 =  6.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____598_53_8 =  4.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____598_53_8 =  4.8E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____598_53_8 =  8.3E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____598_53_8 =  4.8E+01                                  ! [atm] type: ?, ref: 2440

! species:  divinyl ether
! formula:  C_4H_6O
! trivial:  
! casrn:    109-93-3
! inchikey: QYKIQEUNHZKYBP-UHFFFAOYSA-N
Hvpx_____109_93_3 =  1.0E+03                                  ! [atm] type: L, ref: 2441
Hvpx_____109_93_3 =  1.0E+03                                  ! [atm] type: L, ref: 3696
Hvpx_____109_93_3 =  4.4E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____109_93_3 =  9.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_93_3 =  7.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_93_3 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_93_3 =  1.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_93_3 =  2.2E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_93_3 =  9.1E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____109_93_3 =  1.5E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_93_3 =  2.7E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____109_93_3 =  9.4E+02                                  ! [atm] type: ?, ref: 3614

! species:  methyl butyl ether
! formula:  C_5H_{12}O
! trivial:  
! casrn:    628-28-4
! inchikey: CXBDYQVECUFKRK-UHFFFAOYSA-N
Hvpx_____628_28_4 =  8.2E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____628_28_4 =  9.9E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____628_28_4 =  1.2E+02                                  ! [atm] type: V, ref: 2388
Hvpx_____628_28_4 =  7.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____628_28_4 =  2.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____628_28_4 =  1.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____628_28_4 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_28_4 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_28_4 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_28_4 =  1.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____628_28_4 =  5.7E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____628_28_4 =  9.8E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____628_28_4 =  5.1E+01                                  ! [atm] type: Q, ref: 3764

! species:  2-methoxybutane
! formula:  C_5H_{12}O
! trivial:  methyl {\it sec}-butyl ether
! casrn:    6795-87-5
! inchikey: FVNIMHIOIXPIQT-UHFFFAOYSA-N
Hvpx____6795_87_5 =  8.1E+01                                  ! [atm] type: V, ref: 3586
Hvpx____6795_87_5 =  7.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6795_87_5 =  6.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx____6795_87_5 =  7.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____6795_87_5 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx____6795_87_5 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx____6795_87_5 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx____6795_87_5 =  7.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx____6795_87_5 =  8.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx____6795_87_5 =  3.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx____6795_87_5 =  6.4E+01                                  ! [atm] type: ?, ref: 2440

! species:  methyl isobutyl ether
! formula:  C_5H_{12}O
! trivial:  
! casrn:    625-44-5
! inchikey: ZYVYEJXMYBUCMN-UHFFFAOYSA-N
Hvpx_____625_44_5 =  1.3E+02 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____625_44_5 =  1.2E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____625_44_5 =  7.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____625_44_5 =  6.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____625_44_5 =  2.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____625_44_5 =  7.9E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____625_44_5 =  7.7E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____625_44_5 =  9.8E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____625_44_5 =  4.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____625_44_5 =  6.3E+01                                  ! [atm] type: ?, ref: 2440

! species:  methyl {\it tert}-butyl ether
! formula:  CH_3OC(CH_3)_3
! trivial:  MTBE
! casrn:    1634-04-4
! inchikey: BZLVMXJERCGZMT-UHFFFAOYSA-N
Hvpx____1634_04_4 =  4.7E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx____1634_04_4 =  4.1E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx____1634_04_4 =  3.3E+01 * EXP(  -9100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx____1634_04_4 =  2.3E+01 * EXP( -18000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2921
Hvpx____1634_04_4 =  1.7E+01                                  ! [atm] type: M, ref: 2921
Hvpx____1634_04_4 =  2.9E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3691
Hvpx____1634_04_4 =  4.9E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2645
Hvpx____1634_04_4 =  5.0E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3116
Hvpx____1634_04_4 =  3.6E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3302
Hvpx____1634_04_4 =  4.6E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3304
Hvpx____1634_04_4 =  4.7E+01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2646
Hvpx____1634_04_4 =  3.9E+01 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2647
Hvpx____1634_04_4 =  7.6E+01 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2522
Hvpx____1634_04_4 =  3.2E+01                                  ! [atm] type: M, ref: 1928
Hvpx____1634_04_4 =  2.3E+01                                  ! [atm] type: M, ref: 2905
Hvpx____1634_04_4 =  2.9E+01 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: M, ref: 599
Hvpx____1634_04_4 =  3.8E+01                                  ! [atm] type: V, ref: 2613
Hvpx____1634_04_4 =  5.4E+00 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: V, ref: 3693
Hvpx____1634_04_4 =  3.4E+01                                  ! [atm] type: V, ref: 2905
Hvpx____1634_04_4 =  3.8E+01                                  ! [atm] type: V, ref: 635
Hvpx____1634_04_4 =  2.7E+01                                  ! [atm] type: V, ref: 2439
Hvpx____1634_04_4 =  3.2E+01                                  ! [atm] type: V, ref: 794
Hvpx____1634_04_4 =  3.3E+01                                  ! [atm] type: T, ref: 2016
Hvpx____1634_04_4 =  3.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1634_04_4 =  5.3E+01                                  ! [atm] type: Q, ref: 3682
Hvpx____1634_04_4 =  9.5E+01                                  ! [atm] type: Q, ref: 3730
Hvpx____1634_04_4 =  1.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____1634_04_4 =  4.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx____1634_04_4 =  9.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx____1634_04_4 =  3.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx____1634_04_4 =  2.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____1634_04_4 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx____1634_04_4 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx____1634_04_4 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx____1634_04_4 =  1.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx____1634_04_4 =  4.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx____1634_04_4 =  3.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx____1634_04_4 =  4.0E+01                                  ! [atm] type: Q, ref: 2543
Hvpx____1634_04_4 =  5.1E+01                                  ! [atm] type: Q, ref: 3764
Hvpx____1634_04_4 =  6.3E+02                                  ! [atm] type: Q, ref: 984
Hvpx____1634_04_4 =  1.3E+02                                  ! [atm] type: Q, ref: 1162
Hvpx____1634_04_4 =  3.2E+01                                  ! [atm] type: ?, ref: 3586
Hvpx____1634_04_4 =  3.0E+01                                  ! [atm] type: ?, ref: 2440

! species:  ethyl propyl ether
! formula:  C_2H_5OC_3H_7
! trivial:  
! casrn:    628-32-0
! inchikey: NVJUHMXYKCUMQA-UHFFFAOYSA-N
Hvpx_____628_32_0 =  6.3E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____628_32_0 =  6.3E+01                                  ! [atm] type: V, ref: 642
Hvpx_____628_32_0 =  6.4E+01                                  ! [atm] type: V, ref: 713
Hvpx_____628_32_0 =  8.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____628_32_0 =  7.1E+01                                  ! [atm] type: X, ref: howard97
Hvpx_____628_32_0 =  7.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____628_32_0 =  6.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____628_32_0 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_32_0 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_32_0 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_32_0 =  7.8E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____628_32_0 =  6.9E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____628_32_0 =  3.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____628_32_0 =  6.3E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____628_32_0 =  4.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____628_32_0 =  9.6E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____628_32_0 =  6.9E+01                                  ! [atm] type: ?, ref: 2440

! species:  ethyl isopropyl ether
! formula:  C_5H_{12}O
! trivial:  
! casrn:    625-54-7
! inchikey: XSJVWZAETSBXKU-UHFFFAOYSA-N
Hvpx_____625_54_7 =  6.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____625_54_7 =  2.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____625_54_7 =  6.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  2,2-dimethoxypropane
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    77-76-9
! inchikey: HEWZVZIVELJPQZ-UHFFFAOYSA-N
Hvpx______77_76_9 =  4.0E+00                                  ! [atm] type: ?, ref: 3766

! species:  methyl 1,2-dimethylpropyl ether
! formula:  C_6H_{14}O
! trivial:  
! casrn:    62016-49-3
! inchikey: JPUDLQKLSRSRGN-UHFFFAOYSA-N
Hvpx___62016_49_3 =  1.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_49_3 =  1.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_49_3 =  9.5E+01                                  ! [atm] type: Q, ref: 3579

! species:  methyl 1-ethylpropyl ether
! formula:  C_6H_{14}O
! trivial:  
! casrn:    36839-67-5
! inchikey: CQRFEDVNTJTKFU-UHFFFAOYSA-N
Hvpx___36839_67_5 =  1.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___36839_67_5 =  1.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___36839_67_5 =  1.3E+02                                  ! [atm] type: Q, ref: 3579

! species:  methyl 1-methylbutyl ether
! formula:  C_6H_{14}O
! trivial:  
! casrn:    6795-88-6
! inchikey: XSAJCGUYMQTAHL-UHFFFAOYSA-N
Hvpx____6795_88_6 =  1.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6795_88_6 =  7.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____6795_88_6 =  1.4E+02                                  ! [atm] type: Q, ref: 3579

! species:  methyl 2,2-dimethylpropyl ether
! formula:  C_6H_{14}O
! trivial:  
! casrn:    1118-00-9
! inchikey: JILHZKWLEAKYRC-UHFFFAOYSA-N
Hvpx____1118_00_9 =  1.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1118_00_9 =  4.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____1118_00_9 =  1.3E+02                                  ! [atm] type: Q, ref: 3579

! species:  methyl 2-methylbutyl ether
! formula:  C_6H_{14}O
! trivial:  
! casrn:    62016-48-2
! inchikey: XGLHRCWEOMNVKS-UHFFFAOYSA-N
Hvpx___62016_48_2 =  1.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62016_48_2 =  2.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___62016_48_2 =  1.4E+02                                  ! [atm] type: Q, ref: 3579

! species:  methyl 3-methylbutyl ether
! formula:  C_6H_{14}O
! trivial:  
! casrn:    626-91-5
! inchikey: ZQAYBCWERYRAMF-UHFFFAOYSA-N
Hvpx_____626_91_5 =  1.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____626_91_5 =  1.8E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____626_91_5 =  1.4E+02                                  ! [atm] type: Q, ref: 3579

! species:  methyl pentyl ether
! formula:  C_6H_{14}O
! trivial:  
! casrn:    628-80-8
! inchikey: DBUJFULDVAZULB-UHFFFAOYSA-N
Hvpx_____628_80_8 =  1.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____628_80_8 =  1.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____628_80_8 =  1.8E+02                                  ! [atm] type: Q, ref: 3579

! species:  2-methoxy-2-methylbutane
! formula:  C_6H_{14}O
! trivial:  {\it tert}-amyl methyl ether
! casrn:    994-05-8
! inchikey: HVZJRWJGKQPSFL-UHFFFAOYSA-N
Hvpx_____994_05_8 =  5.6E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____994_05_8 =  1.0E+01 * EXP(  -9400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3691
Hvpx_____994_05_8 =  5.2E+01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3304
Hvpx_____994_05_8 =  6.3E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2646
Hvpx_____994_05_8 =  1.0E+02                                  ! [atm] type: M, ref: 1928
Hvpx_____994_05_8 =  5.3E+01                                  ! [atm] type: M, ref: 2938
Hvpx_____994_05_8 =  7.8E+01                                  ! [atm] type: M, ref: 2905
Hvpx_____994_05_8 =  6.7E+01                                  ! [atm] type: V, ref: 2905
Hvpx_____994_05_8 =  1.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____994_05_8 =  1.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____994_05_8 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____994_05_8 =  1.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____994_05_8 =  4.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____994_05_8 =  1.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____994_05_8 =  1.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____994_05_8 =  7.3E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____994_05_8 =  1.0E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____994_05_8 =  1.1E+02 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: ?, ref: 2431

! species:  1-ethoxy-butane
! formula:  C_6H_{14}O
! trivial:  ethyl butyl ether
! casrn:    628-81-9
! inchikey: PZHIWRCQKBBTOW-UHFFFAOYSA-N
Hvpx_____628_81_9 =  7.2E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____628_81_9 =  8.6E+01                                  ! [atm] type: M, ref: 1928
Hvpx_____628_81_9 =  7.0E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____628_81_9 =  7.0E+01                                  ! [atm] type: V, ref: 635
Hvpx_____628_81_9 =  1.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____628_81_9 =  8.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____628_81_9 =  1.4E+02                                  ! [atm] type: Q, ref: 3579

! species:  ethyl isobutyl ether
! formula:  C_6H_{14}O
! trivial:  
! casrn:    627-02-1
! inchikey: RQUBQBFVDOLUKC-UHFFFAOYSA-N
Hvpx_____627_02_1 =  1.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____627_02_1 =  1.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____627_02_1 =  1.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  ethyl {\it sec}-butyl ether
! formula:  C_6H_{14}O
! trivial:  
! casrn:    2679-87-0
! inchikey: VSCUCHUDCLERMY-UHFFFAOYSA-N
Hvpx____2679_87_0 =  1.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2679_87_0 =  4.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____2679_87_0 =  1.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  ethyl {\it tert}-butyl ether
! formula:  C_2H_5OC(CH_3)_3
! trivial:  ETBE
! casrn:    637-92-3
! inchikey: NUMQCACRALPSHD-UHFFFAOYSA-N
Hvpx_____637_92_3 =  7.6E+01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____637_92_3 =  4.6E+00 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3691
Hvpx_____637_92_3 =  8.7E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2645
Hvpx_____637_92_3 =  1.2E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3116
Hvpx_____637_92_3 =  8.5E+01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3304
Hvpx_____637_92_3 =  8.9E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2646
Hvpx_____637_92_3 =  1.3E+02                                  ! [atm] type: M, ref: 1928
Hvpx_____637_92_3 =  1.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____637_92_3 =  7.0E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____637_92_3 =  4.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____637_92_3 =  5.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____637_92_3 =  1.3E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____637_92_3 =  3.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____637_92_3 =  1.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____637_92_3 =  1.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____637_92_3 =  4.4E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____637_92_3 =  9.1E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____637_92_3 =  1.5E+02 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: ?, ref: 2431

! species:  dipropyl ether
! formula:  C_3H_7OC_3H_7
! trivial:  
! casrn:    111-43-3
! inchikey: POLCUAVZOMRGSN-UHFFFAOYSA-N
Hvpx_____111_43_3 =  1.9E+02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____111_43_3 =  1.8E+02                                  ! [atm] type: M, ref: 2457
Hvpx_____111_43_3 =  1.9E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____111_43_3 =  2.5E+02 * EXP(  -9100.*(1./T-1./298.15)) ! [atm] type: M, ref: 640
Hvpx_____111_43_3 =  1.4E+02                                  ! [atm] type: V, ref: 2613
Hvpx_____111_43_3 =  1.4E+02                                  ! [atm] type: V, ref: 635
Hvpx_____111_43_3 =  9.5E+01                                  ! [atm] type: V, ref: 2439
Hvpx_____111_43_3 =  1.9E+02                                  ! [atm] type: V, ref: 642
Hvpx_____111_43_3 =  1.9E+02                                  ! [atm] type: V, ref: 713
Hvpx_____111_43_3 =  1.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_43_3 =  1.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_43_3 =  4.5E+02                                  ! [atm] type: Q, ref: 3682
Hvpx_____111_43_3 =  7.0E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____111_43_3 =  7.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_43_3 =  1.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____111_43_3 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_43_3 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_43_3 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_43_3 =  1.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____111_43_3 =  9.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_43_3 =  7.3E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_43_3 =  1.2E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_43_3 =  4.9E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_43_3 =  5.4E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____111_43_3 =  1.3E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____111_43_3 =  1.2E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____111_43_3 =  1.2E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_43_3 =  2.9E+02                                  ! [atm] type: ?, ref: 637
Hvpx_____111_43_3 =  1.2E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____111_43_3 =  1.9E+02                                  ! [atm] type: ?, ref: 1500

! species:  diisopropyl ether
! formula:  C_3H_7OC_3H_7
! trivial:  
! casrn:    108-20-3
! inchikey: ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
Hvpx_____108_20_3 =  1.2E+02 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_20_3 =  3.6E+01 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3691
Hvpx_____108_20_3 =  1.4E+02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2646
Hvpx_____108_20_3 =  1.3E+02                                  ! [atm] type: M, ref: 1928
Hvpx_____108_20_3 =  1.2E+02                                  ! [atm] type: M, ref: 2938
Hvpx_____108_20_3 =  1.1E+02                                  ! [atm] type: M, ref: 622
Hvpx_____108_20_3 =  1.3E+02                                  ! [atm] type: M, ref: 2457
Hvpx_____108_20_3 =  1.2E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____108_20_3 =  1.9E+02                                  ! [atm] type: M, ref: 2924
Hvpx_____108_20_3 =  1.3E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____108_20_3 =  1.4E+02                                  ! [atm] type: V, ref: 2613
Hvpx_____108_20_3 =  1.1E+02 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: V, ref: 3693
Hvpx_____108_20_3 =  1.8E+02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2431
Hvpx_____108_20_3 =  1.4E+02                                  ! [atm] type: V, ref: 635
Hvpx_____108_20_3 =  5.5E+02                                  ! [atm] type: V, ref: 642
Hvpx_____108_20_3 =  5.6E+02                                  ! [atm] type: V, ref: 714
Hvpx_____108_20_3 =  9.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_20_3 =  9.8E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_20_3 =  9.6E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____108_20_3 =  7.0E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_20_3 =  5.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_20_3 =  3.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_20_3 =  8.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_20_3 =  4.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____108_20_3 =  2.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_20_3 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_20_3 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_20_3 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_20_3 =  1.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_20_3 =  1.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_20_3 =  5.7E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_20_3 =  1.2E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_20_3 =  4.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_20_3 =  6.8E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____108_20_3 =  1.6E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_20_3 =  1.4E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_20_3 =  9.7E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_20_3 =  9.6E+01                                  ! [atm] type: ?, ref: 789
Hvpx_____108_20_3 =  5.5E+02                                  ! [atm] type: ?, ref: 1500

! species:  propyl isopropyl ether
! formula:  C_6H_{14}O 
! trivial:  
! casrn:    627-08-7
! inchikey: JIEJJGMNDWIGBJ-UHFFFAOYSA-N
Hvpx_____627_08_7 =  1.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____627_08_7 =  5.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____627_08_7 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____627_08_7 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____627_08_7 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____627_08_7 =  1.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____627_08_7 =  8.6E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____627_08_7 =  4.6E+01                                  ! [atm] type: Q, ref: 3764

! species:  2-ethoxy-2-methylbutane
! formula:  C_7H_{16}O
! trivial:  {\it tert}-amyl ethyl ether
! casrn:    919-94-8
! inchikey: KFRVYYGHSPLXSZ-UHFFFAOYSA-N
Hvpx_____919_94_8 =  1.1E+02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____919_94_8 =  1.1E+02 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3304
Hvpx_____919_94_8 =  1.1E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____919_94_8 =  4.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____919_94_8 =  2.2E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____919_94_8 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____919_94_8 =  2.2E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____919_94_8 =  2.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____919_94_8 =  4.8E+01                                  ! [atm] type: Q, ref: 2530

! species:  {\it tert}-butyl isopropyl ether
! formula:  C_7H_{16}O
! trivial:  
! casrn:    17348-59-3
! inchikey: HNFSPSWQNZVCTB-UHFFFAOYSA-N
Hvpx___17348_59_3 =  8.2E+02                                  ! [atm] type: ?, ref: 2440

! species:  dipropylene glycol monomethyl ether
! formula:  C_7H_{16}O_3
! trivial:  
! casrn:    34590-94-8
! inchikey: WGYZMNBUZFHYRX-UHFFFAOYSA-N
Hvpx___34590_94_8 =  6.4E-05                                  ! [atm] type: ?, ref: 3393

! species:  dibutyl ether
! formula:  C_4H_9OC_4H_9
! trivial:  
! casrn:    142-96-1
! inchikey: DURPTKYDGMDSBL-UHFFFAOYSA-N
Hvpx_____142_96_1 =  2.6E+02 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____142_96_1 =  7.6E+01 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3691
Hvpx_____142_96_1 =  2.5E+02                                  ! [atm] type: M, ref: 2457
Hvpx_____142_96_1 =  4.2E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____142_96_1 =  2.6E+02                                  ! [atm] type: M, ref: 3640
Hvpx_____142_96_1 =  2.6E+02                                  ! [atm] type: V, ref: 2613
Hvpx_____142_96_1 =  2.6E+02                                  ! [atm] type: V, ref: 635
Hvpx_____142_96_1 =  3.3E+02                                  ! [atm] type: X, ref: 2223
Hvpx_____142_96_1 =  3.9E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____142_96_1 =  7.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____142_96_1 =  3.3E+02                                  ! [atm] type: Q, ref: 3689
Hvpx_____142_96_1 =  2.0E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____142_96_1 =  2.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_96_1 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_96_1 =  2.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_96_1 =  1.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____142_96_1 =  9.0E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____142_96_1 =  3.1E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____142_96_1 =  5.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____142_96_1 =  8.5E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____142_96_1 =  2.5E+02                                  ! [atm] type: Q, ref: 731
Hvpx_____142_96_1 =  2.1E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____142_96_1 =  3.3E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____142_96_1 =  3.1E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____142_96_1 =  3.3E+02                                  ! [atm] type: ?, ref: 1500

! species:  diisobutyl ether
! formula:  C_8H_{18}O
! trivial:  
! casrn:    628-55-7
! inchikey: SZNYYWIUQFZLLT-UHFFFAOYSA-N
Hvpx_____628_55_7 =  1.5E+02                                  ! [atm] type: Q, ref: 2521

! species:  di-{\it sec}-butyl ether
! formula:  C_8H_{18}O
! trivial:  
! casrn:    6863-58-7
! inchikey: HHBZZTKMMLDNDN-UHFFFAOYSA-N
Hvpx____6863_58_7 =  3.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6863_58_7 =  3.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6863_58_7 =  5.4E+02                                  ! [atm] type: Q, ref: 3682
Hvpx____6863_58_7 =  6.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____6863_58_7 =  3.2E+02                                  ! [atm] type: Q, ref: 3579
Hvpx____6863_58_7 =  2.0E+02                                  ! [atm] type: ?, ref: 2440

! species:  di-{\it tert}-butyl ether
! formula:  C_8H_{18}O
! trivial:  
! casrn:    6163-66-2
! inchikey: AQEFLFZSWDEAIP-UHFFFAOYSA-N
Hvpx____6163_66_2 =  2.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6163_66_2 =  4.9E+02                                  ! [atm] type: Q, ref: 3579
Hvpx____6163_66_2 =  1.8E+02                                  ! [atm] type: ?, ref: 2440

! species:  2-methoxy-2,4,4-trimethylpentane
! formula:  C_9H_{20}O
! trivial:  methyl {\it tert}-octyl ether
! casrn:    62108-41-2
! inchikey: IKZVAPMTXDXWMX-UHFFFAOYSA-N
Hvpx___62108_41_2 =  2.9E+02                                  ! [atm] type: ?, ref: 3766

! species:  2-methoxy-2-methylheptane
! formula:  C_9H_{20}O
! trivial:  
! casrn:    76589-16-7
! inchikey: KJRACWZCOVHBQU-UHFFFAOYSA-N
Hvpx___76589_16_7 =  2.9E+02 * EXP(  -8100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3304

! species:  2-ethoxy-2,4,4-trimethylpentane
! formula:  C_{10}H_{22}O
! trivial:  ethyl tert-octyl ether
! casrn:    187103-12-4
! inchikey: JGPJRBWLBUGAQN-UHFFFAOYSA-N
Hvpx__187103_12_4 =  7.1E+02 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3304

! species:  1,1'-oxybispentane
! formula:  C_{10}H_{22}O
! trivial:  dipentyl ether
! casrn:    693-65-2
! inchikey: AOPDRZXCEAKHHW-UHFFFAOYSA-N
Hvpx_____693_65_2 =  1.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____693_65_2 =  1.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____693_65_2 =  1.2E+03                                  ! [atm] type: Q, ref: 3682
Hvpx_____693_65_2 =  1.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____693_65_2 =  1.3E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____693_65_2 =  2.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____693_65_2 =  5.3E+02                                  ! [atm] type: ?, ref: 2440

! species:  1,1'-oxybis(3-methylbutane)
! formula:  C_{10}H_{22}O
! trivial:  diisopentyl ether
! casrn:    544-01-4
! inchikey: AQZGPSLYZOOYQP-UHFFFAOYSA-N
Hvpx_____544_01_4 =  8.1E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____544_01_4 =  8.3E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____544_01_4 =  4.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____544_01_4 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____544_01_4 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____544_01_4 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____544_01_4 =  1.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____544_01_4 =  1.1E+02                                  ! [atm] type: Q, ref: 2530

! species:  1,1'-oxybishexane
! formula:  C_{12}H_{26}O
! trivial:  dihexyl ether
! casrn:    112-58-3
! inchikey: BPIUIOXAFBGMNB-UHFFFAOYSA-N
Hvpx_____112_58_3 =  1.9E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_58_3 =  9.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____112_58_3 =  3.3E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____112_58_3 =  3.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_58_3 =  1.8E+02                                  ! [atm] type: ?, ref: 2440

! species:  1-ethoxy-3,7-dimethyloctane
! formula:  C_{12}H_{26}O
! trivial:  
! casrn:    22810-10-2
! inchikey: HCHHIPCZJSRFRT-UHFFFAOYSA-N
Hvpx___22810_10_2 =  8.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___22810_10_2 =  1.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___22810_10_2 =  4.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___22810_10_2 =  2.2E+03                                  ! [atm] type: Q, ref: 2995

! species:  diheptyl ether
! formula:  C_{14}H_{30}O
! trivial:  
! casrn:    629-64-1
! inchikey: UJEGHEMJVNQWOJ-UHFFFAOYSA-N
Hvpx_____629_64_1 =  2.0E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____629_64_1 =  6.5E+03                                  ! [atm] type: Q, ref: 3579

! species:  dioctyl ether
! formula:  C_{16}H_{34}O
! trivial:  
! casrn:    629-82-3
! inchikey: NKJOXAZJBOMXID-UHFFFAOYSA-N
Hvpx_____629_82_3 =  4.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____629_82_3 =  8.1E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____629_82_3 =  6.6E+00                                  ! [atm] type: ?, ref: 2440

! species:  methoxycyclohexane
! formula:  C_7H_{14}O
! trivial:  
! casrn:    931-56-6
! inchikey: GHDIHPNJQVDFBL-UHFFFAOYSA-N
Hvpx_____931_56_6 =  1.8E+01                                  ! [atm] type: Q, ref: 2521

! species:  methyl cedryl ether
! formula:  C_{16}H_{28}O
! trivial:  
! casrn:    19870-74-7
! inchikey: HRGPYCVTDOECMG-WALBABNVSA-N
Hvpx___19870_74_7 =  2.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___19870_74_7 =  2.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___19870_74_7 =  7.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___19870_74_7 =  4.6E+02                                  ! [atm] type: Q, ref: 2995

! species:  dimethoxymethane
! formula:  CH_3OCH_2OCH_3
! trivial:  methylal
! casrn:    109-87-5
! inchikey: NKDDWNXOKDWJAK-UHFFFAOYSA-N
Hvpx_____109_87_5 =  8.9E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____109_87_5 =  8.6E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3305
Hvpx_____109_87_5 =  9.0E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____109_87_5 =  9.6E+00                                  ! [atm] type: X, ref: 2223
Hvpx_____109_87_5 =  3.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_87_5 =  1.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_87_5 =  7.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_87_5 =  1.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_87_5 =  8.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_87_5 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_87_5 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_87_5 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_87_5 =  2.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_87_5 =  7.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_87_5 =  9.6E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____109_87_5 =  7.9E+00                                  ! [atm] type: ?, ref: 2440

! species:  trimethoxymethane
! formula:  HC(OCH_3)_3
! trivial:  
! casrn:    149-73-5
! inchikey: PYOKUURKVVELLB-UHFFFAOYSA-N
Hvpx_____149_73_5 =  8.0E-01                                  ! [atm] type: V, ref: 794

! species:  diethoxymethane
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    462-95-3
! inchikey: KLKFAASOGCDTDT-UHFFFAOYSA-N
Hvpx_____462_95_3 =  3.7E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____462_95_3 =  7.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____462_95_3 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____462_95_3 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____462_95_3 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____462_95_3 =  7.6E+00                                  ! [atm] type: Q, ref: 2530

! species:  1,1-diethoxyethane
! formula:  (C_2H_5O)_2CHCH_3
! trivial:  acetal
! casrn:    105-57-7
! inchikey: DHKHKXVYLBGOIT-UHFFFAOYSA-N
Hvpx_____105_57_7 =  5.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____105_57_7 =  5.4E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____105_57_7 =  5.4E+00                                  ! [atm] type: V, ref: 642
Hvpx_____105_57_7 =  4.7E+00                                  ! [atm] type: Q, ref: 3521
Hvpx_____105_57_7 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____105_57_7 =  9.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____105_57_7 =  7.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____105_57_7 =  5.2E+00                                  ! [atm] type: ?, ref: 2440

! species:  1,2-diethoxyethane
! formula:  C_2H_5OC_2H_4OC_2H_5
! trivial:  
! casrn:    629-14-1
! inchikey: LZDKZFUFMNSQCJ-UHFFFAOYSA-N
Hvpx_____629_14_1 =  3.5E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____629_14_1 =  3.5E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____629_14_1 =  3.5E+00                                  ! [atm] type: V, ref: 642
Hvpx_____629_14_1 =  4.6E+00                                  ! [atm] type: X, ref: howard97
Hvpx_____629_14_1 =  6.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____629_14_1 =  1.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____629_14_1 =  2.6E+00                                  ! [atm] type: Q, ref: 2530

! species:  1,1,1-trimethoxyethane
! formula:  CH_3C(OCH_3)_3
! trivial:  
! casrn:    1445-45-0
! inchikey: HDPNBNXLBDFELL-UHFFFAOYSA-N
Hvpx____1445_45_0 =  8.6E-01                                  ! [atm] type: V, ref: 794

! species:  1,2-dimethoxyethane
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    110-71-4
! inchikey: XTHFKEDIFFGKHM-UHFFFAOYSA-N
Hvpx_____110_71_4 =  4.1E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____110_71_4 =  2.6E-01                                  ! [atm] type: M, ref: 3526
Hvpx_____110_71_4 =  3.8E-01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3305
Hvpx_____110_71_4 =  3.9E-01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: T, ref: 2381
Hvpx_____110_71_4 =  6.1E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____110_71_4 =  1.0E+00                                  ! [atm] type: Q, ref: 2521

! species:  3-oxa-1-hexanol
! formula:  C_5H_{12}O_2
! trivial:  2-propoxyethanol
! casrn:    2807-30-9
! inchikey: YEYKMVJDLWJFOA-UHFFFAOYSA-N
Hvpx____2807_30_9 =  2.7E-02 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: T, ref: 2381
Hvpx____2807_30_9 =  8.3E-04                                  ! [atm] type: Q, ref: 3088
Hvpx____2807_30_9 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx____2807_30_9 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx____2807_30_9 =  4.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx____2807_30_9 =  5.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx____2807_30_9 =  9.4E-02                                  ! [atm] type: Q, ref: 984

! species:  3-oxa-1-heptanol
! formula:  C_6H_{14}O_2
! trivial:  2-butoxyethanol; butyl cellosolve
! casrn:    111-76-2
! inchikey: POAOYUHQDCAZBD-UHFFFAOYSA-N
Hvpx_____111_76_2 =  4.3E-02 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____111_76_2 =  1.6E-01 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____111_76_2 =  4.3E-02 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2837
Hvpx_____111_76_2 =  2.0E-01                                  ! [atm] type: M, ref: 3079
Hvpx_____111_76_2 =  3.5E-02 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: T, ref: 2381
Hvpx_____111_76_2 =  3.3E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____111_76_2 =  7.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_76_2 =  1.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_76_2 =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_76_2 =  1.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____111_76_2 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_76_2 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_76_2 =  5.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_76_2 =  7.1E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_76_2 =  2.9E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_76_2 =  1.2E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____111_76_2 =  8.9E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____111_76_2 =  2.0E-02                                  ! [atm] type: ?, ref: 2440

! species:  1-methoxy-2-propanol
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    107-98-2
! inchikey: ARXJGSRGQADJSQ-UHFFFAOYSA-N
Hvpx_____107_98_2 =  1.1E-01                                  ! [atm] type: M, ref: 3079
Hvpx_____107_98_2 =  4.8E-02                                  ! [atm] type: C, ref: 2521
Hvpx_____107_98_2 =  6.0E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_98_2 =  8.2E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_98_2 =  6.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_98_2 =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_98_2 =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_98_2 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_98_2 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_98_2 =  3.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_98_2 =  4.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_98_2 =  2.0E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_98_2 =  5.1E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____107_98_2 =  1.6E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____107_98_2 =  5.1E-02                                  ! [atm] type: ?, ref: 3586

! species:  4-methyl-3-oxa-1-pentanol
! formula:  C_5H_{12}O_2
! trivial:  2-isopropoxyethanol
! casrn:    109-59-1
! inchikey: HCGFUIQPSOCUHI-UHFFFAOYSA-N
Hvpx_____109_59_1 =  1.1E-01                                  ! [atm] type: M, ref: 3079
Hvpx_____109_59_1 =  4.4E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_59_1 =  2.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_59_1 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_59_1 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_59_1 =  4.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_59_1 =  6.9E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_59_1 =  2.1E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_59_1 =  5.1E-02                                  ! [atm] type: ?, ref: 3586

! species:  1,2-dibutoxyethane
! formula:  C_{10}H_{22}O_2
! trivial:  
! casrn:    112-48-1
! inchikey: GDXHBFHOEYVPED-UHFFFAOYSA-N
Hvpx_____112_48_1 =  5.5E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____112_48_1 =  3.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_48_1 =  5.1E+00                                  ! [atm] type: Q, ref: 2530

! species:  3,6-dioxa-1-decanol
! formula:  C_8H_{18}O_3
! trivial:  butyl carbitol
! casrn:    112-34-5
! inchikey: OAYXUHPQHDHDDZ-UHFFFAOYSA-N
Hvpx_____112_34_5 =  4.0E-04                                  ! [atm] type: M, ref: 2837

! species:  diethylene glycol dibutyl ether
! formula:  C_{12}H_{26}O_3
! trivial:  
! casrn:    112-73-2
! inchikey: KZVBBTZJMSWGTK-UHFFFAOYSA-N
Hvpx_____112_73_2 =  2.2E-01 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____112_73_2 =  1.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____112_73_2 =  8.9E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_73_2 =  4.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____112_73_2 =  9.1E-02                                  ! [atm] type: Q, ref: 3579
Hvpx_____112_73_2 =  1.6E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____112_73_2 =  3.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____112_73_2 =  1.4E-01                                  ! [atm] type: ?, ref: 2440

! species:  methyl vinyl ether
! formula:  C_3H_6O
! trivial:  
! casrn:    107-25-5
! inchikey: XJRBAMWJDBPFIM-UHFFFAOYSA-N
Hvpx_____107_25_5 =  3.7E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____107_25_5 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_25_5 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_25_5 =  3.5E+02                                  ! [atm] type: Q, ref: 2546

! species:  ethyl vinyl ether
! formula:  C_4H_8O
! trivial:  
! casrn:    109-92-2
! inchikey: FJKIXWOMBXYWOQ-UHFFFAOYSA-N
Hvpx_____109_92_2 =  3.0E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____109_92_2 =  2.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_92_2 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_92_2 =  1.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_92_2 =  4.4E+02                                  ! [atm] type: Q, ref: 2546

! species:  propyl vinyl ether
! formula:  C_5H_{10}O
! trivial:  
! casrn:    764-47-6
! inchikey: OVGRCEFMXPHEBL-UHFFFAOYSA-N
Hvpx_____764_47_6 =  1.7E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3691

! species:  allyl glycidyl ether
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    106-92-3
! inchikey: LSWYGACWGAICNM-UHFFFAOYSA-N
Hvpx_____106_92_3 =  2.6E-01                                  ! [atm] type: ?, ref: 3766

! species:  butyl vinyl ether
! formula:  C_6H_{12}O
! trivial:  
! casrn:    111-34-2
! inchikey: UZKWTJUDCOPSNM-UHFFFAOYSA-N
Hvpx_____111_34_2 =  1.2E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____111_34_2 =  1.2E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____111_34_2 =  7.5E+02                                  ! [atm] type: Q, ref: 3682
Hvpx_____111_34_2 =  2.2E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_34_2 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_34_2 =  2.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_34_2 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_34_2 =  2.2E+02                                  ! [atm] type: Q, ref: 2530

! species:  isobutyl vinyl ether
! formula:  C_6H_{12}O
! trivial:  
! casrn:    109-53-5
! inchikey: OZCMOJQQLBXBKI-UHFFFAOYSA-N
Hvpx_____109_53_5 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_53_5 =  2.2E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_53_5 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_53_5 =  2.9E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_53_5 =  2.2E+02                                  ! [atm] type: Q, ref: 2530

! species:  benzyl methyl ether
! formula:  C_8H_{10}O
! trivial:  
! casrn:    538-86-3
! inchikey: GQKZBCPTCWJTAS-UHFFFAOYSA-N
Hvpx_____538_86_3 =  4.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____538_86_3 =  4.2E+00                                  ! [atm] type: Q, ref: 3586

! species:  benzyl ethyl ether
! formula:  C_9H_{12}O
! trivial:  
! casrn:    539-30-0
! inchikey: AXPZDYVDTMMLNB-UHFFFAOYSA-N
Hvpx_____539_30_0 =  8.2E+00                                  ! [atm] type: Q, ref: 3682

! species:  methoxybenzene
! formula:  C_6H_5OCH_3
! trivial:  anisole
! casrn:    100-66-3
! inchikey: RDOXTESZEPMUJZ-UHFFFAOYSA-N
Hvpx_____100_66_3 =  1.9E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____100_66_3 =  1.9E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2926
Hvpx_____100_66_3 =  2.1E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx_____100_66_3 =  1.7E+01                                  ! [atm] type: M, ref: 2457
Hvpx_____100_66_3 =  2.7E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____100_66_3 =  1.7E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____100_66_3 =  1.4E+01                                  ! [atm] type: V, ref: 635
Hvpx_____100_66_3 =  2.4E+02                                  ! [atm] type: V, ref: 642
Hvpx_____100_66_3 =  2.3E+02                                  ! [atm] type: R, ref: 714
Hvpx_____100_66_3 =  2.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____100_66_3 =  2.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____100_66_3 =  7.9E+00                                  ! [atm] type: C, ref: 2165
Hvpx_____100_66_3 =  2.9E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____100_66_3 =  4.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_66_3 =  2.4E+02                                  ! [atm] type: Q, ref: 3088
Hvpx_____100_66_3 =  2.8E+01                                  ! [atm] type: Q, ref: 3689
Hvpx_____100_66_3 =  4.2E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____100_66_3 =  6.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_66_3 =  1.7E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_66_3 =  6.4E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____100_66_3 =  4.6E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____100_66_3 =  2.4E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____100_66_3 =  2.0E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____100_66_3 =  2.1E+01                                  ! [atm] type: ?, ref: 1500

! species:  ethoxybenzene
! formula:  C_8H_{10}O
! trivial:  phenetole
! casrn:    103-73-1
! inchikey: DLRJIFUOBPOJNS-UHFFFAOYSA-N
Hvpx_____103_73_1 =  3.2E+01                                  ! [atm] type: M, ref: 2457
Hvpx_____103_73_1 =  2.4E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____103_73_1 =  2.4E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____103_73_1 =  2.4E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____103_73_1 =  1.2E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____103_73_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____103_73_1 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____103_73_1 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____103_73_1 =  8.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____103_73_1 =  1.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____103_73_1 =  2.1E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____103_73_1 =  5.3E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____103_73_1 =  3.2E+01                                  ! [atm] type: ?, ref: 1500

! species:  1,2-dimethoxybenzene
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    91-16-7
! inchikey: ABDKAPXRBAPSQN-UHFFFAOYSA-N

! species:  2-phenoxyethanol
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    122-99-6
! inchikey: QCDWFXQBSFUVSP-UHFFFAOYSA-N
Hvpx_____122_99_6 =  2.6E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____122_99_6 =  2.7E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____122_99_6 =  1.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____122_99_6 =  1.6E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____122_99_6 =  4.0E-03                                  ! [atm] type: Q, ref: 2530

! species:  2-(phenylmethoxy)-ethanol
! formula:  C_9H_{12}O_2
! trivial:  
! casrn:    622-08-2
! inchikey: CUZKCNWZBXLAJX-UHFFFAOYSA-N
Hvpx_____622_08_2 =  6.7E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____622_08_2 =  1.2E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____622_08_2 =  3.5E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____622_08_2 =  3.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____622_08_2 =  1.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____622_08_2 =  3.6E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____622_08_2 =  7.8E-04                                  ! [atm] type: Q, ref: 2530

! species:  1,2,3-trimethoxybenzene
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    634-36-6
! inchikey: CRUILBNAQILVHZ-UHFFFAOYSA-N
Hvpx_____634_36_6 =  1.5E-01                                  ! [atm] type: V, ref: 2165

! species:  1-methoxy-4-(1-propenyl)-benzene
! formula:  C_{10}H_{12}O
! trivial:  anethole
! casrn:    104-46-1
! inchikey: RUVINXPYWBROJD-UHFFFAOYSA-N
Hvpx_____104_46_1 =  5.5E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125
Hvpx_____104_46_1 =  5.4E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____104_46_1 =  1.5E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____104_46_1 =  4.0E+00                                  ! [atm] type: Q, ref: 3088
Hvpx_____104_46_1 =  2.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____104_46_1 =  5.4E+00                                  ! [atm] type: ?, ref: 2440

! species:  2-methoxy-4-(2-propenyl)-phenol
! formula:  C_{10}H_{12}O_2
! trivial:  eugenol
! casrn:    97-53-0
! inchikey: RRAFCDWBNXTKKO-UHFFFAOYSA-N
Hvpx______97_53_0 =  6.0E-02                                  ! [atm] type: M, ref: 3723
Hvpx______97_53_0 =  1.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx______97_53_0 =  8.0E-02                                  ! [atm] type: V, ref: 3678
Hvpx______97_53_0 =  1.1E-01                                  ! [atm] type: V, ref: 3088
Hvpx______97_53_0 =  7.6E-02 * EXP(  -9700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125
Hvpx______97_53_0 =  1.4E-01                                  ! [atm] type: Q, ref: 3682
Hvpx______97_53_0 =  1.5E+00                                  ! [atm] type: Q, ref: 3521
Hvpx______97_53_0 =  2.7E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______97_53_0 =  9.6E-02                                  ! [atm] type: Q, ref: 3723

! species:  1,2-dimethoxy-4-(2-propenyl)-benzene
! formula:  C_{11}H_{14}O_2
! trivial:  
! casrn:    93-15-2
! inchikey: ZYEMGPIYFIJGTP-UHFFFAOYSA-N
Hvpx______93_15_2 =  3.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx______93_15_2 =  3.1E-01                                  ! [atm] type: V, ref: 3088
Hvpx______93_15_2 =  5.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______93_15_2 =  1.5E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______93_15_2 =  2.8E+00                                  ! [atm] type: Q, ref: 2530

! species:  diphenyl ether
! formula:  C_{12}H_{10}O
! trivial:  
! casrn:    101-84-8
! inchikey: USIUVYZYUHIAEV-UHFFFAOYSA-N
Hvpx_____101_84_8 =  2.9E+01                                  ! [atm] type: L, ref: 3518
Hvpx_____101_84_8 =  1.5E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____101_84_8 =  1.5E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____101_84_8 =  1.5E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____101_84_8 =  4.8E+00                                  ! [atm] type: V, ref: 1096
Hvpx_____101_84_8 =  1.5E+01                                  ! [atm] type: V, ref: 635
Hvpx_____101_84_8 =  3.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____101_84_8 =  1.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____101_84_8 =  2.9E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____101_84_8 =  3.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____101_84_8 =  3.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____101_84_8 =  2.9E+01                                  ! [atm] type: ?, ref: 2440

! species:  (phenoxymethyl)-oxirane
! formula:  C_9H_{10}O_2
! trivial:  
! casrn:    122-60-1
! inchikey: FQYUMYWMJTYZTK-UHFFFAOYSA-N
Hvpx_____122_60_1 =  4.6E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____122_60_1 =  4.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____122_60_1 =  1.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____122_60_1 =  8.9E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____122_60_1 =  2.9E-01                                  ! [atm] type: Q, ref: 2530

! species:  1-dodecyl-4-phenoxybenzene
! formula:  C_{24}H_{34}O
! trivial:  
! casrn:    119345-02-7
! inchikey: XSAHYEQPUFJGKW-UHFFFAOYSA-N
Hvpx__119345_02_7 =  1.6E+02                                  ! [atm] type: Q, ref: 2995
Hvpx__119345_02_7 =  4.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx__119345_02_7 =  3.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx__119345_02_7 =  7.1E+00                                  ! [atm] type: Q, ref: 2995

! species:  2,2,4-trimethyl-4-(4-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)phenyl)pentane
! formula:  C_{28}H_{42}O
! trivial:  
! casrn:    61702-88-3
! inchikey: AJDONJVWDSZZQF-UHFFFAOYSA-N
Hvpx___61702_88_3 =  4.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___61702_88_3 =  4.6E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___61702_88_3 =  1.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___61702_88_3 =  8.0E+01                                  ! [atm] type: Q, ref: 2995

! species:  etofenprox
! formula:  C_{25}H_{28}O_3
! trivial:  
! casrn:    80844-07-1
! inchikey: YREQHYQNNWYQCJ-UHFFFAOYSA-N
Hvpx___80844_07_1 =  7.4E-03                                  ! [atm] type: ?, ref: 3549

! species:  di-{\it tert}-butyl {\it sec}-butylidene diperoxide
! formula:  C_{12}H_{26}O_4
! trivial:  
! casrn:    2167-23-9
! inchikey: HQOVXPHOJANJBR-UHFFFAOYSA-N
Hvpx____2167_23_9 =  4.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____2167_23_9 =  8.9E+03                                  ! [atm] type: Q, ref: 2995
Hvpx____2167_23_9 =  3.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____2167_23_9 =  4.9E-01                                  ! [atm] type: Q, ref: 2995

! species:  peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl
! formula:  C_{13}H_{20}O_2
! trivial:  
! casrn:    3457-61-2
! inchikey: BIISIZOQPWZPPS-UHFFFAOYSA-N
Hvpx____3457_61_2 =  4.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____3457_61_2 =  1.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____3457_61_2 =  3.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____3457_61_2 =  2.8E+00                                  ! [atm] type: Q, ref: 2995

! species:  di-{\it tert}-butyl 1,1,4,4-tetramethyltetramethylene diperoxide
! formula:  C_{16}H_{34}O_4
! trivial:  
! casrn:    78-63-7
! inchikey: DMWVYCCGCQPJEA-UHFFFAOYSA-N
Hvpx______78_63_7 =  1.4E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______78_63_7 =  6.9E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______78_63_7 =  4.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______78_63_7 =  1.6E+00                                  ! [atm] type: Q, ref: 2995

! species:  1,4-bis(1-{\it tert}-butylperoxy-1-methyl-ethyl)benzene
! formula:  C_{20}H_{34}O_4
! trivial:  
! casrn:    2781-00-2
! inchikey: GWQOYRSARAWVTC-UHFFFAOYSA-N
Hvpx____2781_00_2 =  5.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____2781_00_2 =  3.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____2781_00_2 =  1.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____2781_00_2 =  6.3E-02                                  ! [atm] type: Q, ref: 2995

! species:  MCM:CH3OCH2OOH
! formula:  C_2H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CDXAGPPPWKCPRI-UHFFFAOYSA-N
Hvpx_CDXAGPPPWKCPRI_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CDXAGPPPWKCPRI_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CDXAGPPPWKCPRI_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETHOXOOH
! formula:  C_2H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NOEKFNMWGHEGBN-UHFFFAOYSA-N
Hvpx_NOEKFNMWGHEGBN_UHFFFAOYSA_N =  7.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NOEKFNMWGHEGBN_UHFFFAOYSA_N =  3.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NOEKFNMWGHEGBN_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMMAOOH
! formula:  C_3H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SHLFZQKLTPTTSZ-UHFFFAOYSA-N
Hvpx_SHLFZQKLTPTTSZ_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SHLFZQKLTPTTSZ_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SHLFZQKLTPTTSZ_UHFFFAOYSA_N =  4.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMMBOOH
! formula:  C_3H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HODDSHZVZWXLHR-UHFFFAOYSA-N
Hvpx_HODDSHZVZWXLHR_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HODDSHZVZWXLHR_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HODDSHZVZWXLHR_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETOMEOOH
! formula:  C_3H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NZBMKAZNWPZJND-UHFFFAOYSA-N
Hvpx_NZBMKAZNWPZJND_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NZBMKAZNWPZJND_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NZBMKAZNWPZJND_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MEMOXYCO3H
! formula:  C_3H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PWWCDEMRYRBWOJ-UHFFFAOYSA-N
Hvpx_PWWCDEMRYRBWOJ_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PWWCDEMRYRBWOJ_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PWWCDEMRYRBWOJ_UHFFFAOYSA_N =  5.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DIETETOOH
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CXWWPQGYBJCHJL-UHFFFAOYSA-N
Hvpx_CXWWPQGYBJCHJL_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CXWWPQGYBJCHJL_UHFFFAOYSA_N =  4.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CXWWPQGYBJCHJL_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETOC2OOH
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NYVGIYPKZJSYSP-UHFFFAOYSA-N
Hvpx_NYVGIYPKZJSYSP_UHFFFAOYSA_N =  3.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NYVGIYPKZJSYSP_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NYVGIYPKZJSYSP_UHFFFAOYSA_N =  8.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETOMECO3H
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ULYBJOMJQUHMOL-UHFFFAOYSA-N
Hvpx_ULYBJOMJQUHMOL_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ULYBJOMJQUHMOL_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ULYBJOMJQUHMOL_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRMETOOH
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PSBSELFEZHDPTA-UHFFFAOYSA-N
Hvpx_PSBSELFEZHDPTA_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PSBSELFEZHDPTA_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_PSBSELFEZHDPTA_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXMOOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DCHWALHTYQHXTG-UHFFFAOYSA-N
Hvpx_DCHWALHTYQHXTG_UHFFFAOYSA_N =  4.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DCHWALHTYQHXTG_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DCHWALHTYQHXTG_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EIPEOOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZZXLAMSYBUVKJS-UHFFFAOYSA-N
Hvpx_ZZXLAMSYBUVKJS_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZZXLAMSYBUVKJS_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_ZZXLAMSYBUVKJS_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPROC21OOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VGMUBGNCFVOQDX-UHFFFAOYSA-N
Hvpx_VGMUBGNCFVOQDX_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VGMUBGNCFVOQDX_UHFFFAOYSA_N =  8.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VGMUBGNCFVOQDX_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEAOOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BGZKVDIFKPQYHL-UHFFFAOYSA-N
Hvpx_BGZKVDIFKPQYHL_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BGZKVDIFKPQYHL_UHFFFAOYSA_N =  6.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BGZKVDIFKPQYHL_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEBCO3H
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NGYXBYFCPPVOQA-UHFFFAOYSA-N
Hvpx_NGYXBYFCPPVOQA_UHFFFAOYSA_N =  4.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NGYXBYFCPPVOQA_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_NGYXBYFCPPVOQA_UHFFFAOYSA_N =  1.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEBOOH
! formula:  C_5H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FPTBRWWJTBOWHN-UHFFFAOYSA-N
Hvpx_FPTBRWWJTBOWHN_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FPTBRWWJTBOWHN_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FPTBRWWJTBOWHN_UHFFFAOYSA_N =  2.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXMCO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BMXLBBYCODRNIJ-UHFFFAOYSA-N
Hvpx_BMXLBBYCODRNIJ_UHFFFAOYSA_N =  3.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BMXLBBYCODRNIJ_UHFFFAOYSA_N =  3.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BMXLBBYCODRNIJ_UHFFFAOYSA_N =  6.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DIIPRETOOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PFVPTWUDXVSVAC-UHFFFAOYSA-N
Hvpx_PFVPTWUDXVSVAC_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PFVPTWUDXVSVAC_UHFFFAOYSA_N =  3.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_PFVPTWUDXVSVAC_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBEACO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UAVAAIVEDVDYSQ-UHFFFAOYSA-N
Hvpx_UAVAAIVEDVDYSQ_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UAVAAIVEDVDYSQ_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_UAVAAIVEDVDYSQ_UHFFFAOYSA_N =  1.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBEAOOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ITRUGVUCIYLYDK-UHFFFAOYSA-N
Hvpx_ITRUGVUCIYLYDK_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ITRUGVUCIYLYDK_UHFFFAOYSA_N =  3.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ITRUGVUCIYLYDK_UHFFFAOYSA_N =  3.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBEBOOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VOZHKKMLSSYDIG-UHFFFAOYSA-N
Hvpx_VOZHKKMLSSYDIG_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VOZHKKMLSSYDIG_UHFFFAOYSA_N =  2.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VOZHKKMLSSYDIG_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBECCO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AELSWALKLVZVPO-UHFFFAOYSA-N
Hvpx_AELSWALKLVZVPO_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AELSWALKLVZVPO_UHFFFAOYSA_N =  6.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AELSWALKLVZVPO_UHFFFAOYSA_N =  4.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBECOOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WJMPPRSRRBMJID-UHFFFAOYSA-N
Hvpx_WJMPPRSRRBMJID_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WJMPPRSRRBMJID_UHFFFAOYSA_N =  2.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WJMPPRSRRBMJID_UHFFFAOYSA_N =  9.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPROMC2OOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JCIUPJDJCBRYHD-UHFFFAOYSA-N
Hvpx_JCIUPJDJCBRYHD_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JCIUPJDJCBRYHD_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JCIUPJDJCBRYHD_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPROMCCO3H
! formula:  C_6H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SFJQIQZNOBLTBZ-UHFFFAOYSA-N
Hvpx_SFJQIQZNOBLTBZ_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SFJQIQZNOBLTBZ_UHFFFAOYSA_N =  7.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SFJQIQZNOBLTBZ_UHFFFAOYSA_N =  7.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCSOZ
! formula:  C_{15}H_{24}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DXZCAIRIBLPJLG-UHFFFAOYSA-N
Hvpx_DXZCAIRIBLPJLG_UHFFFAOYSA_N =  6.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DXZCAIRIBLPJLG_UHFFFAOYSA_N =  2.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_DXZCAIRIBLPJLG_UHFFFAOYSA_N =  7.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3OCH2OH
! formula:  C_2H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VHWYCFISAQVCCP-UHFFFAOYSA-N
Hvpx_VHWYCFISAQVCCP_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VHWYCFISAQVCCP_UHFFFAOYSA_N =  1.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VHWYCFISAQVCCP_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMMAOH
! formula:  C_3H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YANOHILBFNXRFM-UHFFFAOYSA-N
Hvpx_YANOHILBFNXRFM_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YANOHILBFNXRFM_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YANOHILBFNXRFM_UHFFFAOYSA_N =  4.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMMBOH
! formula:  C_3H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IIGJYLXJNYBXEO-UHFFFAOYSA-N
Hvpx_IIGJYLXJNYBXEO_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IIGJYLXJNYBXEO_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IIGJYLXJNYBXEO_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETOMEOH
! formula:  C_3H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RRLWYLINGKISHN-UHFFFAOYSA-N
Hvpx_RRLWYLINGKISHN_UHFFFAOYSA_N =  8.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RRLWYLINGKISHN_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RRLWYLINGKISHN_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MO2EOLA2OH
! formula:  C_3H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CSCSROFYRUZJJH-UHFFFAOYSA-N
Hvpx_CSCSROFYRUZJJH_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CSCSROFYRUZJJH_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CSCSROFYRUZJJH_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MO2EOLAOOH
! formula:  C_3H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PFSIOEPXGRVTPO-UHFFFAOYSA-N
Hvpx_PFSIOEPXGRVTPO_UHFFFAOYSA_N =  6.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PFSIOEPXGRVTPO_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PFSIOEPXGRVTPO_UHFFFAOYSA_N =  7.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MO2EOLB2OH
! formula:  C_3H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ONSWVOSXVUHESJ-UHFFFAOYSA-N
Hvpx_ONSWVOSXVUHESJ_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ONSWVOSXVUHESJ_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ONSWVOSXVUHESJ_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MO2EOLBOOH
! formula:  C_3H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VULCDXDIAONDTM-UHFFFAOYSA-N
Hvpx_VULCDXDIAONDTM_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VULCDXDIAONDTM_UHFFFAOYSA_N =  3.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VULCDXDIAONDTM_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DIETETOH
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CAFAOQIVXSSFSY-UHFFFAOYSA-N
Hvpx_CAFAOQIVXSSFSY_UHFFFAOYSA_N =  9.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CAFAOQIVXSSFSY_UHFFFAOYSA_N =  3.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CAFAOQIVXSSFSY_UHFFFAOYSA_N =  4.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EOX2ETA2OH
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WWVBRUMYFUDEJQ-UHFFFAOYSA-N
Hvpx_WWVBRUMYFUDEJQ_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WWVBRUMYFUDEJQ_UHFFFAOYSA_N =  8.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WWVBRUMYFUDEJQ_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EOX2ETB2OH
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RZYMXMZJVMXDRP-UHFFFAOYSA-N
Hvpx_RZYMXMZJVMXDRP_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RZYMXMZJVMXDRP_UHFFFAOYSA_N =  6.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RZYMXMZJVMXDRP_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EOX2OLAOOH
! formula:  C_4H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OSAXOMWTXDBXFG-UHFFFAOYSA-N
Hvpx_OSAXOMWTXDBXFG_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OSAXOMWTXDBXFG_UHFFFAOYSA_N =  3.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OSAXOMWTXDBXFG_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EOX2OLBOOH
! formula:  C_4H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IWDPPKCJRWMAAT-UHFFFAOYSA-N
Hvpx_IWDPPKCJRWMAAT_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IWDPPKCJRWMAAT_UHFFFAOYSA_N =  8.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IWDPPKCJRWMAAT_UHFFFAOYSA_N =  3.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2C3OCOH
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OAPWFUZUONIVKV-UHFFFAOYSA-N
Hvpx_OAPWFUZUONIVKV_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OAPWFUZUONIVKV_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OAPWFUZUONIVKV_UHFFFAOYSA_N =  2.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2C3OCOOH
! formula:  C_4H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZZOFHQOVQLUGOX-UHFFFAOYSA-N
Hvpx_ZZOFHQOVQLUGOX_UHFFFAOYSA_N =  8.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZZOFHQOVQLUGOX_UHFFFAOYSA_N =  4.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZZOFHQOVQLUGOX_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRMEETOH
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BFSUQRCCKXZXEX-UHFFFAOYSA-N
Hvpx_BFSUQRCCKXZXEX_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BFSUQRCCKXZXEX_UHFFFAOYSA_N =  5.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BFSUQRCCKXZXEX_UHFFFAOYSA_N =  7.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PR2OHMOOOH
! formula:  C_4H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BIISZUJLPYTCKS-UHFFFAOYSA-N
Hvpx_BIISZUJLPYTCKS_UHFFFAOYSA_N =  7.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BIISZUJLPYTCKS_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BIISZUJLPYTCKS_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PROH2MOX
! formula:  C_4H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OEYNWAWWSZUGDU-UHFFFAOYSA-N
Hvpx_OEYNWAWWSZUGDU_UHFFFAOYSA_N =  6.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OEYNWAWWSZUGDU_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OEYNWAWWSZUGDU_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXMOH
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CRHLZRRTZDFDAJ-UHFFFAOYSA-N
Hvpx_CRHLZRRTZDFDAJ_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_CRHLZRRTZDFDAJ_UHFFFAOYSA_N =  3.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CRHLZRRTZDFDAJ_UHFFFAOYSA_N =  4.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EIPEOH
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MGMXTRZFWPWZFH-UHFFFAOYSA-N
Hvpx_MGMXTRZFWPWZFH_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_MGMXTRZFWPWZFH_UHFFFAOYSA_N =  8.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MGMXTRZFWPWZFH_UHFFFAOYSA_N =  7.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HIEPOXB
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YTIKZIBPNMOYQX-UHFFFAOYSA-N
Hvpx_YTIKZIBPNMOYQX_UHFFFAOYSA_N =  3.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_YTIKZIBPNMOYQX_UHFFFAOYSA_N =  3.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_YTIKZIBPNMOYQX_UHFFFAOYSA_N =  9.7E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IEACO3H
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WBOLSVSGSKMCPN-UHFFFAOYSA-N
Hvpx_WBOLSVSGSKMCPN_UHFFFAOYSA_N =  7.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WBOLSVSGSKMCPN_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WBOLSVSGSKMCPN_UHFFFAOYSA_N =  3.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IECCO3H
! formula:  C_5H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CEWHGLGNUIHIJU-UHFFFAOYSA-N
Hvpx_CEWHGLGNUIHIJU_UHFFFAOYSA_N =  7.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CEWHGLGNUIHIJU_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CEWHGLGNUIHIJU_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IEPOXA
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CIDUHKBATDRWPE-UHFFFAOYSA-N
Hvpx_CIDUHKBATDRWPE_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CIDUHKBATDRWPE_UHFFFAOYSA_N =  5.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CIDUHKBATDRWPE_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IEPOXC
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: REKLCZSNEUFIBP-UHFFFAOYSA-N
Hvpx_REKLCZSNEUFIBP_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_REKLCZSNEUFIBP_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_REKLCZSNEUFIBP_UHFFFAOYSA_N =  4.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPROC21OH
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: PWLPTLCMMFJZIU-UHFFFAOYSA-N
Hvpx_PWLPTLCMMFJZIU_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PWLPTLCMMFJZIU_UHFFFAOYSA_N =  5.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PWLPTLCMMFJZIU_UHFFFAOYSA_N =  5.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEAOH
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: NHNNIMVRQJIZFW-UHFFFAOYSA-N
Hvpx_NHNNIMVRQJIZFW_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_NHNNIMVRQJIZFW_UHFFFAOYSA_N =  7.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NHNNIMVRQJIZFW_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEBOH
! formula:  C_5H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VMPUAIZSESMILD-UHFFFAOYSA-N
Hvpx_VMPUAIZSESMILD_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VMPUAIZSESMILD_UHFFFAOYSA_N =  3.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VMPUAIZSESMILD_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOX2E2OH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WQHNZXURJISVCT-UHFFFAOYSA-N
Hvpx_WQHNZXURJISVCT_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WQHNZXURJISVCT_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WQHNZXURJISVCT_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOX2OHAOOH
! formula:  C_6H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XRZMTAXNHOGTME-UHFFFAOYSA-N
Hvpx_XRZMTAXNHOGTME_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XRZMTAXNHOGTME_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XRZMTAXNHOGTME_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOX2OHBOOH
! formula:  C_6H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LCMMTUJPIXBSDS-UHFFFAOYSA-N
Hvpx_LCMMTUJPIXBSDS_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LCMMTUJPIXBSDS_UHFFFAOYSA_N =  6.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LCMMTUJPIXBSDS_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXOHETOH
! formula:  C_6H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QLKNFVRAYYHHDF-UHFFFAOYSA-N
Hvpx_QLKNFVRAYYHHDF_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QLKNFVRAYYHHDF_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QLKNFVRAYYHHDF_UHFFFAOYSA_N =  7.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DIIPRETOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FRKCZFUUIQCQPC-UHFFFAOYSA-N
Hvpx_FRKCZFUUIQCQPC_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FRKCZFUUIQCQPC_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FRKCZFUUIQCQPC_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBEAOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: WOSZILCYMCIWFB-UHFFFAOYSA-N
Hvpx_WOSZILCYMCIWFB_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_WOSZILCYMCIWFB_UHFFFAOYSA_N =  5.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WOSZILCYMCIWFB_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBEBOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: DUNYNUFVLYAWTI-UHFFFAOYSA-N
Hvpx_DUNYNUFVLYAWTI_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_DUNYNUFVLYAWTI_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_DUNYNUFVLYAWTI_UHFFFAOYSA_N =  5.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBECOH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BDLXTDLGTWNUFM-UHFFFAOYSA-N
Hvpx_BDLXTDLGTWNUFM_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BDLXTDLGTWNUFM_UHFFFAOYSA_N =  6.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BDLXTDLGTWNUFM_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPROMC2OH
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZFEKANLLFQEKED-UHFFFAOYSA-N
Hvpx_ZFEKANLLFQEKED_UHFFFAOYSA_N =  8.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFEKANLLFQEKED_UHFFFAOYSA_N =  4.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFEKANLLFQEKED_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  1-butoxy-2-propanol
! formula:  C_7H_{16}O_2
! trivial:  MCM:BOX2PROL
! casrn:    5131-66-8
! inchikey: RWNUSVWFHDHRCJ-UHFFFAOYSA-N
Hvpx____5131_66_8 =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____5131_66_8 =  3.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____5131_66_8 =  6.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXOHPROL
! formula:  C_7H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ITIQJVOJGXCBQB-UHFFFAOYSA-N
Hvpx_ITIQJVOJGXCBQB_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ITIQJVOJGXCBQB_UHFFFAOYSA_N =  7.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ITIQJVOJGXCBQB_UHFFFAOYSA_N =  8.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXPOLAOOH
! formula:  C_7H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JGCUFCZSCOGTSN-UHFFFAOYSA-N
Hvpx_JGCUFCZSCOGTSN_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JGCUFCZSCOGTSN_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JGCUFCZSCOGTSN_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXPOLBOOH
! formula:  C_7H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AJCGQJRNRRPZGZ-UHFFFAOYSA-N
Hvpx_AJCGQJRNRRPZGZ_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AJCGQJRNRRPZGZ_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AJCGQJRNRRPZGZ_UHFFFAOYSA_N =  6.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXPR2OH
! formula:  C_7H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XKPKIGSYCLTAJO-UHFFFAOYSA-N
Hvpx_XKPKIGSYCLTAJO_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XKPKIGSYCLTAJO_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XKPKIGSYCLTAJO_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCSOZOH
! formula:  C_{15}H_{26}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JQRHKAPCWHNLMS-UHFFFAOYSA-N
Hvpx_JQRHKAPCWHNLMS_UHFFFAOYSA_N =  4.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JQRHKAPCWHNLMS_UHFFFAOYSA_N =  5.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JQRHKAPCWHNLMS_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCSOZOOH
! formula:  C_{15}H_{26}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VCKYKGHDZKOMMJ-UHFFFAOYSA-N
Hvpx_VCKYKGHDZKOMMJ_UHFFFAOYSA_N =  6.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_VCKYKGHDZKOMMJ_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VCKYKGHDZKOMMJ_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MEMOXYCHO
! formula:  C_3H_6O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: YSEFYOVWKJXNCH-UHFFFAOYSA-N
Hvpx_YSEFYOVWKJXNCH_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_YSEFYOVWKJXNCH_UHFFFAOYSA_N =  2.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YSEFYOVWKJXNCH_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EOX2ETCHO
! formula:  C_4H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: IAHZBRPNDIVNNR-UHFFFAOYSA-N
Hvpx_IAHZBRPNDIVNNR_UHFFFAOYSA_N =  2.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_IAHZBRPNDIVNNR_UHFFFAOYSA_N =  7.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IAHZBRPNDIVNNR_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXC4DIAL
! formula:  C_4H_4O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IRJHVNZVWOCVLV-UHFFFAOYSA-N
Hvpx_IRJHVNZVWOCVLV_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IRJHVNZVWOCVLV_UHFFFAOYSA_N =  7.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IRJHVNZVWOCVLV_UHFFFAOYSA_N =  7.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXDLCO3H
! formula:  C_4H_4O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OKYIQGCZHSMTGV-UHFFFAOYSA-N
Hvpx_OKYIQGCZHSMTGV_UHFFFAOYSA_N =  7.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OKYIQGCZHSMTGV_UHFFFAOYSA_N =  5.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OKYIQGCZHSMTGV_UHFFFAOYSA_N =  7.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXMC4DIAL
! formula:  C_5H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SYCYSIWUSJFZTN-UHFFFAOYSA-N
Hvpx_SYCYSIWUSJFZTN_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SYCYSIWUSJFZTN_UHFFFAOYSA_N =  4.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SYCYSIWUSJFZTN_UHFFFAOYSA_N =  7.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXMDLCO3H
! formula:  C_5H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LLYFBEXLHOFXFI-UHFFFAOYSA-N
Hvpx_LLYFBEXLHOFXFI_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LLYFBEXLHOFXFI_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LLYFBEXLHOFXFI_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEBCHO
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HSCUZOQCNBPBST-UHFFFAOYSA-N
Hvpx_HSCUZOQCNBPBST_UHFFFAOYSA_N =  5.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_HSCUZOQCNBPBST_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_HSCUZOQCNBPBST_UHFFFAOYSA_N =  9.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOX2ECHO
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RPLPGIHCAYAYKX-UHFFFAOYSA-N
Hvpx_RPLPGIHCAYAYKX_UHFFFAOYSA_N =  4.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_RPLPGIHCAYAYKX_UHFFFAOYSA_N =  8.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RPLPGIHCAYAYKX_UHFFFAOYSA_N =  4.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZEMUCCO3H
! formula:  C_6H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LTCNUSVDDXPSIF-UHFFFAOYSA-N
Hvpx_LTCNUSVDDXPSIF_UHFFFAOYSA_N =  2.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LTCNUSVDDXPSIF_UHFFFAOYSA_N =  4.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LTCNUSVDDXPSIF_UHFFFAOYSA_N =  4.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZEPOXMUC
! formula:  C_6H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NQHJMOLWTXQPLS-UHFFFAOYSA-N
Hvpx_NQHJMOLWTXQPLS_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NQHJMOLWTXQPLS_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NQHJMOLWTXQPLS_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXM2C4DAL
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QTKFOEFUZGORGI-UHFFFAOYSA-N
Hvpx_QTKFOEFUZGORGI_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QTKFOEFUZGORGI_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QTKFOEFUZGORGI_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXM2DCO3H
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CFBRPHMFNHCZFV-UHFFFAOYSA-N
Hvpx_CFBRPHMFNHCZFV_UHFFFAOYSA_N =  2.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CFBRPHMFNHCZFV_UHFFFAOYSA_N =  8.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CFBRPHMFNHCZFV_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBEACHO
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HHIYJPQUMUPZIZ-UHFFFAOYSA-N
Hvpx_HHIYJPQUMUPZIZ_UHFFFAOYSA_N =  5.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_HHIYJPQUMUPZIZ_UHFFFAOYSA_N =  4.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_HHIYJPQUMUPZIZ_UHFFFAOYSA_N =  1.2E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBECCHO
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: SMUYZOMGNHBYHU-UHFFFAOYSA-N
Hvpx_SMUYZOMGNHBYHU_UHFFFAOYSA_N =  5.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_SMUYZOMGNHBYHU_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_SMUYZOMGNHBYHU_UHFFFAOYSA_N =  8.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPROMCCHO
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: AAPDVSFWBQNMLJ-UHFFFAOYSA-N
Hvpx_AAPDVSFWBQNMLJ_UHFFFAOYSA_N =  3.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_AAPDVSFWBQNMLJ_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_AAPDVSFWBQNMLJ_UHFFFAOYSA_N =  4.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXMEC4DAL
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MOJUYSNCEBTQMW-UHFFFAOYSA-N
Hvpx_MOJUYSNCEBTQMW_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MOJUYSNCEBTQMW_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MOJUYSNCEBTQMW_UHFFFAOYSA_N =  2.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXMEDCO3H
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IBELTJZUJIPVRI-UHFFFAOYSA-N
Hvpx_IBELTJZUJIPVRI_UHFFFAOYSA_N =  3.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IBELTJZUJIPVRI_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IBELTJZUJIPVRI_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYEPOXMUC
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QLTFECLMPRWGQQ-UHFFFAOYSA-N
Hvpx_QLTFECLMPRWGQQ_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QLTFECLMPRWGQQ_UHFFFAOYSA_N =  8.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QLTFECLMPRWGQQ_UHFFFAOYSA_N =  5.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYMUCCO3H
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PBSKNYKKTPMDFL-UHFFFAOYSA-N
Hvpx_PBSKNYKKTPMDFL_UHFFFAOYSA_N =  8.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PBSKNYKKTPMDFL_UHFFFAOYSA_N =  8.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PBSKNYKKTPMDFL_UHFFFAOYSA_N =  6.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLMUCO3H
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UVJSWMTUJCHEOZ-UHFFFAOYSA-N
Hvpx_UVJSWMTUJCHEOZ_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UVJSWMTUJCHEOZ_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UVJSWMTUJCHEOZ_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLPOXMUC
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NORSPZZKBNMHEY-UHFFFAOYSA-N
Hvpx_NORSPZZKBNMHEY_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NORSPZZKBNMHEY_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NORSPZZKBNMHEY_UHFFFAOYSA_N =  9.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IEACHO
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SXTKPSXTIDLSQV-UHFFFAOYSA-N
Hvpx_SXTKPSXTIDLSQV_UHFFFAOYSA_N =  7.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SXTKPSXTIDLSQV_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SXTKPSXTIDLSQV_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IECCHO
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FUNIHXJAXNKVQS-UHFFFAOYSA-N
Hvpx_FUNIHXJAXNKVQS_UHFFFAOYSA_N =  7.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FUNIHXJAXNKVQS_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FUNIHXJAXNKVQS_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZEMUCOH
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HYRDKGAOZPVDDL-UHFFFAOYSA-N
Hvpx_HYRDKGAOZPVDDL_UHFFFAOYSA_N =  5.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HYRDKGAOZPVDDL_UHFFFAOYSA_N =  3.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HYRDKGAOZPVDDL_UHFFFAOYSA_N =  4.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZEMUCOOH
! formula:  C_6H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: YPGXWAYLBNMEJL-UHFFFAOYSA-N
Hvpx_YPGXWAYLBNMEJL_UHFFFAOYSA_N =  7.2E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_YPGXWAYLBNMEJL_UHFFFAOYSA_N =  4.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_YPGXWAYLBNMEJL_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYMUCOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SKTLSFGOHJFJLD-UHFFFAOYSA-N
Hvpx_SKTLSFGOHJFJLD_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_SKTLSFGOHJFJLD_UHFFFAOYSA_N =  4.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_SKTLSFGOHJFJLD_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYMUCOOH
! formula:  C_8H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZBCSCRLAPOVYAB-UHFFFAOYSA-N
Hvpx_ZBCSCRLAPOVYAB_UHFFFAOYSA_N =  1.2E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_ZBCSCRLAPOVYAB_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZBCSCRLAPOVYAB_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLMUCOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BKCWOZADWPGCRT-UHFFFAOYSA-N
Hvpx_BKCWOZADWPGCRT_UHFFFAOYSA_N =  2.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_BKCWOZADWPGCRT_UHFFFAOYSA_N =  7.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_BKCWOZADWPGCRT_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLMUCOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: OMPONQJDZISYFQ-UHFFFAOYSA-N
Hvpx_OMPONQJDZISYFQ_UHFFFAOYSA_N =  1.3E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_OMPONQJDZISYFQ_UHFFFAOYSA_N =  3.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_OMPONQJDZISYFQ_UHFFFAOYSA_N =  5.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRONEMOOOH
! formula:  C_4H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WKDIYCKWLNCFHJ-UHFFFAOYSA-N
Hvpx_WKDIYCKWLNCFHJ_UHFFFAOYSA_N =  4.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WKDIYCKWLNCFHJ_UHFFFAOYSA_N =  6.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WKDIYCKWLNCFHJ_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRONEMOX
! formula:  C_4H_8O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CUZLJOLBIRPEFB-UHFFFAOYSA-N
Hvpx_CUZLJOLBIRPEFB_UHFFFAOYSA_N =  3.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_CUZLJOLBIRPEFB_UHFFFAOYSA_N =  3.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CUZLJOLBIRPEFB_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXKTMCO3H
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ABDSVLWFPNKKBV-UHFFFAOYSA-N
Hvpx_ABDSVLWFPNKKBV_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ABDSVLWFPNKKBV_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ABDSVLWFPNKKBV_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXMKTCO3H
! formula:  C_6H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CAGQARJHZCESJI-UHFFFAOYSA-N
Hvpx_CAGQARJHZCESJI_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CAGQARJHZCESJI_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CAGQARJHZCESJI_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXPROBOOH
! formula:  C_7H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YHFJWWLEGMYFFZ-UHFFFAOYSA-N
Hvpx_YHFJWWLEGMYFFZ_UHFFFAOYSA_N =  7.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YHFJWWLEGMYFFZ_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YHFJWWLEGMYFFZ_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXPRONE
! formula:  C_7H_{14}O_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: UYNCDYOFUJEUQN-UHFFFAOYSA-N
Hvpx_UYNCDYOFUJEUQN_UHFFFAOYSA_N =  6.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_UYNCDYOFUJEUQN_UHFFFAOYSA_N =  6.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_UYNCDYOFUJEUQN_UHFFFAOYSA_N =  2.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXPROOOH
! formula:  C_7H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YUTHBWBUPOPMPG-UHFFFAOYSA-N
Hvpx_YUTHBWBUPOPMPG_UHFFFAOYSA_N =  7.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YUTHBWBUPOPMPG_UHFFFAOYSA_N =  8.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YUTHBWBUPOPMPG_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXEKTCO3H
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PGCJNBUAAIEYIA-UHFFFAOYSA-N
Hvpx_PGCJNBUAAIEYIA_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PGCJNBUAAIEYIA_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PGCJNBUAAIEYIA_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLEMUCCO3H
! formula:  C_7H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RISGILSSNRWCFR-UHFFFAOYSA-N
Hvpx_RISGILSSNRWCFR_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RISGILSSNRWCFR_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RISGILSSNRWCFR_UHFFFAOYSA_N =  9.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBZMUCCO3H
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GTEVSPXWKYUSQE-UHFFFAOYSA-N
Hvpx_GTEVSPXWKYUSQE_UHFFFAOYSA_N =  5.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GTEVSPXWKYUSQE_UHFFFAOYSA_N =  5.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GTEVSPXWKYUSQE_UHFFFAOYSA_N =  5.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYMUCCO3H
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ROKAXOITEMHIEK-UHFFFAOYSA-N
Hvpx_ROKAXOITEMHIEK_UHFFFAOYSA_N =  7.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ROKAXOITEMHIEK_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ROKAXOITEMHIEK_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYMUCCO3H
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AYUPQGRQZSTAMO-UHFFFAOYSA-N
Hvpx_AYUPQGRQZSTAMO_UHFFFAOYSA_N =  7.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_AYUPQGRQZSTAMO_UHFFFAOYSA_N =  9.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AYUPQGRQZSTAMO_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBZMUCO3H
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SKJBPGYNTSYQCQ-UHFFFAOYSA-N
Hvpx_SKJBPGYNTSYQCQ_UHFFFAOYSA_N =  5.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SKJBPGYNTSYQCQ_UHFFFAOYSA_N =  9.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SKJBPGYNTSYQCQ_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLMUCO3H
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CXRRYJPLLOUVIM-UHFFFAOYSA-N
Hvpx_CXRRYJPLLOUVIM_UHFFFAOYSA_N =  9.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CXRRYJPLLOUVIM_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CXRRYJPLLOUVIM_UHFFFAOYSA_N =  4.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZMUCCO3H
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZGGPGQBINYKWGU-UHFFFAOYSA-N
Hvpx_ZGGPGQBINYKWGU_UHFFFAOYSA_N =  5.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZGGPGQBINYKWGU_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZGGPGQBINYKWGU_UHFFFAOYSA_N =  4.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLMUCO3H
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KWWJCAVGGMMMRV-UHFFFAOYSA-N
Hvpx_KWWJCAVGGMMMRV_UHFFFAOYSA_N =  9.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KWWJCAVGGMMMRV_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KWWJCAVGGMMMRV_UHFFFAOYSA_N =  7.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123OXMUC
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XYHNNFZVTWOCNN-UHFFFAOYSA-N
Hvpx_XYHNNFZVTWOCNN_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XYHNNFZVTWOCNN_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XYHNNFZVTWOCNN_UHFFFAOYSA_N =  3.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124MUO3H
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FTWAFKXUKWKGAJ-UHFFFAOYSA-N
Hvpx_FTWAFKXUKWKGAJ_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FTWAFKXUKWKGAJ_UHFFFAOYSA_N =  4.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FTWAFKXUKWKGAJ_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM135MUO3H
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JNFPQQOSCDIIIK-UHFFFAOYSA-N
Hvpx_JNFPQQOSCDIIIK_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JNFPQQOSCDIIIK_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JNFPQQOSCDIIIK_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMEBMUO3H
! formula:  C_{10}H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JWBQDZWURHDWCA-UHFFFAOYSA-N
Hvpx_JWBQDZWURHDWCA_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JWBQDZWURHDWCA_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JWBQDZWURHDWCA_UHFFFAOYSA_N =  3.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DETLMUO3H
! formula:  C_{11}H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QEEAHFHJZRPBGG-UHFFFAOYSA-N
Hvpx_QEEAHFHJZRPBGG_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QEEAHFHJZRPBGG_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QEEAHFHJZRPBGG_UHFFFAOYSA_N =  4.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCKSOZ
! formula:  C_{14}H_{22}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JTZKRSQXPBULRM-UHFFFAOYSA-N
Hvpx_JTZKRSQXPBULRM_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JTZKRSQXPBULRM_UHFFFAOYSA_N =  3.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JTZKRSQXPBULRM_UHFFFAOYSA_N =  4.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRONEMOXOH
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RETWRLMOZHRKHX-UHFFFAOYSA-N
Hvpx_RETWRLMOZHRKHX_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RETWRLMOZHRKHX_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RETWRLMOZHRKHX_UHFFFAOYSA_N =  8.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXPRONBOH
! formula:  C_7H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ANPLAICHKIQBPV-UHFFFAOYSA-N
Hvpx_ANPLAICHKIQBPV_UHFFFAOYSA_N =  4.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ANPLAICHKIQBPV_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ANPLAICHKIQBPV_UHFFFAOYSA_N =  3.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXPRONOH
! formula:  C_7H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NQJNHGUTJISDHM-UHFFFAOYSA-N
Hvpx_NQJNHGUTJISDHM_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NQJNHGUTJISDHM_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NQJNHGUTJISDHM_UHFFFAOYSA_N =  5.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123MUCCO
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZVWGUKJQFRZUIG-UHFFFAOYSA-N
Hvpx_ZVWGUKJQFRZUIG_UHFFFAOYSA_N =  2.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZVWGUKJQFRZUIG_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZVWGUKJQFRZUIG_UHFFFAOYSA_N =  3.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123MUCOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JUUFKUYJQYFRGA-UHFFFAOYSA-N
Hvpx_JUUFKUYJQYFRGA_UHFFFAOYSA_N =  2.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JUUFKUYJQYFRGA_UHFFFAOYSA_N =  1.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JUUFKUYJQYFRGA_UHFFFAOYSA_N =  4.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123MUOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LLVDHGQYZCXGKH-UHFFFAOYSA-N
Hvpx_LLVDHGQYZCXGKH_UHFFFAOYSA_N =  3.3E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_LLVDHGQYZCXGKH_UHFFFAOYSA_N =  2.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LLVDHGQYZCXGKH_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXALMKT
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QIJMAVIYYVSLPO-UHFFFAOYSA-N
Hvpx_QIJMAVIYYVSLPO_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QIJMAVIYYVSLPO_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QIJMAVIYYVSLPO_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXMALKT
! formula:  C_6H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MWBGBWUOLRJCDU-UHFFFAOYSA-N
Hvpx_MWBGBWUOLRJCDU_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MWBGBWUOLRJCDU_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MWBGBWUOLRJCDU_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXEALKT
! formula:  C_7H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HQSBJPSKMKUTIT-UHFFFAOYSA-N
Hvpx_HQSBJPSKMKUTIT_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HQSBJPSKMKUTIT_UHFFFAOYSA_N =  5.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HQSBJPSKMKUTIT_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBZPOXMUC
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UTCVUMOGNJSPDS-UHFFFAOYSA-N
Hvpx_UTCVUMOGNJSPDS_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UTCVUMOGNJSPDS_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UTCVUMOGNJSPDS_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYEPOXMUC
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VLMKIGFKBHEGBU-UHFFFAOYSA-N
Hvpx_VLMKIGFKBHEGBU_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VLMKIGFKBHEGBU_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VLMKIGFKBHEGBU_UHFFFAOYSA_N =  4.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYEPOXMUC
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LGKLIBFTBUCZPW-UHFFFAOYSA-N
Hvpx_LGKLIBFTBUCZPW_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LGKLIBFTBUCZPW_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LGKLIBFTBUCZPW_UHFFFAOYSA_N =  3.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBZPOXMUC
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NUCYHGVQTCVYLO-UHFFFAOYSA-N
Hvpx_NUCYHGVQTCVYLO_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NUCYHGVQTCVYLO_UHFFFAOYSA_N =  8.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NUCYHGVQTCVYLO_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLPOXMUC
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SWHMTTAIKVELRE-UHFFFAOYSA-N
Hvpx_SWHMTTAIKVELRE_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SWHMTTAIKVELRE_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SWHMTTAIKVELRE_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZPOXMUC
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AHKQGNMGHQLOPP-UHFFFAOYSA-N
Hvpx_AHKQGNMGHQLOPP_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AHKQGNMGHQLOPP_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AHKQGNMGHQLOPP_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLPOXMUC
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UTBNMXYREJYVNQ-UHFFFAOYSA-N
Hvpx_UTBNMXYREJYVNQ_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UTBNMXYREJYVNQ_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UTBNMXYREJYVNQ_UHFFFAOYSA_N =  9.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124OXMUC
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HFTMUUPKJAPOHL-UHFFFAOYSA-N
Hvpx_HFTMUUPKJAPOHL_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HFTMUUPKJAPOHL_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HFTMUUPKJAPOHL_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM135OXMUC
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JFCWARPMSNNZLY-UHFFFAOYSA-N
Hvpx_JFCWARPMSNNZLY_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JFCWARPMSNNZLY_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JFCWARPMSNNZLY_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMEBPOXMUC
! formula:  C_{10}H_{14}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VGOICOHBXPGRQT-UHFFFAOYSA-N
Hvpx_VGOICOHBXPGRQT_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VGOICOHBXPGRQT_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VGOICOHBXPGRQT_UHFFFAOYSA_N =  4.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DETLPOXMUC
! formula:  C_{11}H_{16}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VPGNNECRJBEQEI-UHFFFAOYSA-N
Hvpx_VPGNNECRJBEQEI_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VPGNNECRJBEQEI_UHFFFAOYSA_N =  3.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VPGNNECRJBEQEI_UHFFFAOYSA_N =  8.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZEMUCCO
! formula:  C_6H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KQXCODNTIAPVKL-UHFFFAOYSA-N
Hvpx_KQXCODNTIAPVKL_UHFFFAOYSA_N =  5.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KQXCODNTIAPVKL_UHFFFAOYSA_N =  4.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KQXCODNTIAPVKL_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLEMUCCO
! formula:  C_7H_8O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AJWOUZMMNQLKHW-UHFFFAOYSA-N
Hvpx_AJWOUZMMNQLKHW_UHFFFAOYSA_N =  1.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_AJWOUZMMNQLKHW_UHFFFAOYSA_N =  3.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_AJWOUZMMNQLKHW_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLEMUCOH
! formula:  C_7H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WPTVRQIFDQMAMS-UHFFFAOYSA-N
Hvpx_WPTVRQIFDQMAMS_UHFFFAOYSA_N =  8.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WPTVRQIFDQMAMS_UHFFFAOYSA_N =  3.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WPTVRQIFDQMAMS_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLEMUCOOH
! formula:  C_7H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DVPKQTIPCHKXBD-UHFFFAOYSA-N
Hvpx_DVPKQTIPCHKXBD_UHFFFAOYSA_N =  5.5E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_DVPKQTIPCHKXBD_UHFFFAOYSA_N =  1.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DVPKQTIPCHKXBD_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBZMUCCO
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MYHWFJZUBUHIGJ-UHFFFAOYSA-N
Hvpx_MYHWFJZUBUHIGJ_UHFFFAOYSA_N =  1.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MYHWFJZUBUHIGJ_UHFFFAOYSA_N =  7.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MYHWFJZUBUHIGJ_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBZMUCOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VKTUBYIQTACODT-UHFFFAOYSA-N
Hvpx_VKTUBYIQTACODT_UHFFFAOYSA_N =  9.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_VKTUBYIQTACODT_UHFFFAOYSA_N =  5.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_VKTUBYIQTACODT_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBZMUCOOH
! formula:  C_8H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KWCWGZCSJYJCAS-UHFFFAOYSA-N
Hvpx_KWCWGZCSJYJCAS_UHFFFAOYSA_N =  6.0E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_KWCWGZCSJYJCAS_UHFFFAOYSA_N =  1.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KWCWGZCSJYJCAS_UHFFFAOYSA_N =  6.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYMUCCO
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KJOIECUJZBFUMR-UHFFFAOYSA-N
Hvpx_KJOIECUJZBFUMR_UHFFFAOYSA_N =  2.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KJOIECUJZBFUMR_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KJOIECUJZBFUMR_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYMUCOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UZLLCOIUEBQPHF-UHFFFAOYSA-N
Hvpx_UZLLCOIUEBQPHF_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UZLLCOIUEBQPHF_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UZLLCOIUEBQPHF_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYMUCOOH
! formula:  C_8H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZYWDOJNDZBPDDO-UHFFFAOYSA-N
Hvpx_ZYWDOJNDZBPDDO_UHFFFAOYSA_N =  9.7E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_ZYWDOJNDZBPDDO_UHFFFAOYSA_N =  4.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ZYWDOJNDZBPDDO_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYMUCCO
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RJHLIQPRSGXWHC-UHFFFAOYSA-N
Hvpx_RJHLIQPRSGXWHC_UHFFFAOYSA_N =  3.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RJHLIQPRSGXWHC_UHFFFAOYSA_N =  2.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RJHLIQPRSGXWHC_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYMUCCO
! formula:  C_8H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UICQALDYFNTPHO-UHFFFAOYSA-N
Hvpx_UICQALDYFNTPHO_UHFFFAOYSA_N =  2.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UICQALDYFNTPHO_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UICQALDYFNTPHO_UHFFFAOYSA_N =  4.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYMUCOH
! formula:  C_8H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MIBKDAKBVPRIGB-UHFFFAOYSA-N
Hvpx_MIBKDAKBVPRIGB_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MIBKDAKBVPRIGB_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MIBKDAKBVPRIGB_UHFFFAOYSA_N =  5.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYMUCOOH
! formula:  C_8H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: GSJPWDRXFYTPMH-UHFFFAOYSA-N
Hvpx_GSJPWDRXFYTPMH_UHFFFAOYSA_N =  9.7E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_GSJPWDRXFYTPMH_UHFFFAOYSA_N =  3.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GSJPWDRXFYTPMH_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBZMUCCO
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XOMPDNKHXMMXOK-UHFFFAOYSA-N
Hvpx_XOMPDNKHXMMXOK_UHFFFAOYSA_N =  1.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XOMPDNKHXMMXOK_UHFFFAOYSA_N =  4.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XOMPDNKHXMMXOK_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBZMUCOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AKVRVUIGBHJRNQ-UHFFFAOYSA-N
Hvpx_AKVRVUIGBHJRNQ_UHFFFAOYSA_N =  1.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_AKVRVUIGBHJRNQ_UHFFFAOYSA_N =  8.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_AKVRVUIGBHJRNQ_UHFFFAOYSA_N =  2.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBZMUCOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LSOCHQKLDSXALN-UHFFFAOYSA-N
Hvpx_LSOCHQKLDSXALN_UHFFFAOYSA_N =  6.4E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_LSOCHQKLDSXALN_UHFFFAOYSA_N =  2.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_LSOCHQKLDSXALN_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLMUCCO
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZRMCSOCJQIXUEX-UHFFFAOYSA-N
Hvpx_ZRMCSOCJQIXUEX_UHFFFAOYSA_N =  2.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZRMCSOCJQIXUEX_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZRMCSOCJQIXUEX_UHFFFAOYSA_N =  9.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLMUCOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ARJLZFCPXRPKBS-UHFFFAOYSA-N
Hvpx_ARJLZFCPXRPKBS_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ARJLZFCPXRPKBS_UHFFFAOYSA_N =  3.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ARJLZFCPXRPKBS_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLMUCOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UXABECSPQFCGIJ-UHFFFAOYSA-N
Hvpx_UXABECSPQFCGIJ_UHFFFAOYSA_N =  1.1E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_UXABECSPQFCGIJ_UHFFFAOYSA_N =  9.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UXABECSPQFCGIJ_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLMUCCO
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JSKKVRLLVVSVCZ-UHFFFAOYSA-N
Hvpx_JSKKVRLLVVSVCZ_UHFFFAOYSA_N =  3.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JSKKVRLLVVSVCZ_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JSKKVRLLVVSVCZ_UHFFFAOYSA_N =  5.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZMUCCO
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FCRYPGHUONBQCX-UHFFFAOYSA-N
Hvpx_FCRYPGHUONBQCX_UHFFFAOYSA_N =  2.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_FCRYPGHUONBQCX_UHFFFAOYSA_N =  4.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FCRYPGHUONBQCX_UHFFFAOYSA_N =  6.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZMUCOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VYXNVIKZUYYSSA-UHFFFAOYSA-N
Hvpx_VYXNVIKZUYYSSA_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_VYXNVIKZUYYSSA_UHFFFAOYSA_N =  9.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_VYXNVIKZUYYSSA_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZMUCOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: FCKGMMNUJIAHAV-UHFFFAOYSA-N
Hvpx_FCKGMMNUJIAHAV_UHFFFAOYSA_N =  7.5E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_FCKGMMNUJIAHAV_UHFFFAOYSA_N =  2.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_FCKGMMNUJIAHAV_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLMUCCO
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RORTYMWKJCCJQU-UHFFFAOYSA-N
Hvpx_RORTYMWKJCCJQU_UHFFFAOYSA_N =  2.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RORTYMWKJCCJQU_UHFFFAOYSA_N =  9.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RORTYMWKJCCJQU_UHFFFAOYSA_N =  8.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLMUCOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZLOWXLKYIJYQIH-UHFFFAOYSA-N
Hvpx_ZLOWXLKYIJYQIH_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLOWXLKYIJYQIH_UHFFFAOYSA_N =  2.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLOWXLKYIJYQIH_UHFFFAOYSA_N =  6.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLMUCOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: RSNULGXAYPPPGL-UHFFFAOYSA-N
Hvpx_RSNULGXAYPPPGL_UHFFFAOYSA_N =  1.1E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_RSNULGXAYPPPGL_UHFFFAOYSA_N =  6.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RSNULGXAYPPPGL_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124MUCCO
! formula:  C_9H_{12}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DQECTOJLTKBSTJ-UHFFFAOYSA-N
Hvpx_DQECTOJLTKBSTJ_UHFFFAOYSA_N =  2.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DQECTOJLTKBSTJ_UHFFFAOYSA_N =  5.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DQECTOJLTKBSTJ_UHFFFAOYSA_N =  3.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124MUCOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KPYCPCVRGFCQPX-UHFFFAOYSA-N
Hvpx_KPYCPCVRGFCQPX_UHFFFAOYSA_N =  2.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KPYCPCVRGFCQPX_UHFFFAOYSA_N =  5.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KPYCPCVRGFCQPX_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124MUOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DQFPDDPNMNSRMG-UHFFFAOYSA-N
Hvpx_DQFPDDPNMNSRMG_UHFFFAOYSA_N =  4.0E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_DQFPDDPNMNSRMG_UHFFFAOYSA_N =  8.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_DQFPDDPNMNSRMG_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM135MUOH
! formula:  C_9H_{14}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CZQCDAJVGDGQTR-UHFFFAOYSA-N
Hvpx_CZQCDAJVGDGQTR_UHFFFAOYSA_N =  2.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CZQCDAJVGDGQTR_UHFFFAOYSA_N =  2.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CZQCDAJVGDGQTR_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM135MUOOH
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: FIFCCDBMOKNVLN-UHFFFAOYSA-N
Hvpx_FIFCCDBMOKNVLN_UHFFFAOYSA_N =  4.0E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_FIFCCDBMOKNVLN_UHFFFAOYSA_N =  4.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_FIFCCDBMOKNVLN_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMEBMUOH
! formula:  C_{10}H_{16}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MURMIEBRJYKLPQ-UHFFFAOYSA-N
Hvpx_MURMIEBRJYKLPQ_UHFFFAOYSA_N =  3.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MURMIEBRJYKLPQ_UHFFFAOYSA_N =  4.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MURMIEBRJYKLPQ_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMEBMUOOH
! formula:  C_{10}H_{16}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: QHUZCFCKANZAOE-UHFFFAOYSA-N
Hvpx_QHUZCFCKANZAOE_UHFFFAOYSA_N =  4.4E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_QHUZCFCKANZAOE_UHFFFAOYSA_N =  8.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_QHUZCFCKANZAOE_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DETLMUOH
! formula:  C_{11}H_{18}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BLCXZNPOSIAMRZ-UHFFFAOYSA-N
Hvpx_BLCXZNPOSIAMRZ_UHFFFAOYSA_N =  4.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_BLCXZNPOSIAMRZ_UHFFFAOYSA_N =  6.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_BLCXZNPOSIAMRZ_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DETLMUOOH
! formula:  C_{11}H_{18}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZGRWZBBDFVAIEE-UHFFFAOYSA-N
Hvpx_ZGRWZBBDFVAIEE_UHFFFAOYSA_N =  5.6E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_ZGRWZBBDFVAIEE_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZGRWZBBDFVAIEE_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETOMECO2H
! formula:  C_4H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YZGQDNOIGFBYKF-UHFFFAOYSA-N
Hvpx_YZGQDNOIGFBYKF_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YZGQDNOIGFBYKF_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YZGQDNOIGFBYKF_UHFFFAOYSA_N =  7.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEBCO2H
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BKBZFJRHYSCZQA-UHFFFAOYSA-N
Hvpx_BKBZFJRHYSCZQA_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BKBZFJRHYSCZQA_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BKBZFJRHYSCZQA_UHFFFAOYSA_N =  6.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXMCO2H
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AJQOASGWDCBKCJ-UHFFFAOYSA-N
Hvpx_AJQOASGWDCBKCJ_UHFFFAOYSA_N =  3.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AJQOASGWDCBKCJ_UHFFFAOYSA_N =  4.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AJQOASGWDCBKCJ_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXDLCO2H
! formula:  C_4H_4O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BIFCJMYQXQSHFE-UHFFFAOYSA-N
Hvpx_BIFCJMYQXQSHFE_UHFFFAOYSA_N =  5.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BIFCJMYQXQSHFE_UHFFFAOYSA_N =  3.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BIFCJMYQXQSHFE_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXMDLCO2H
! formula:  C_5H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HNJRQDPCPFMZIJ-UHFFFAOYSA-N
Hvpx_HNJRQDPCPFMZIJ_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HNJRQDPCPFMZIJ_UHFFFAOYSA_N =  9.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HNJRQDPCPFMZIJ_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZEMUCCO2H
! formula:  C_6H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YYDFWEKDUXDLMC-UHFFFAOYSA-N
Hvpx_YYDFWEKDUXDLMC_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YYDFWEKDUXDLMC_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YYDFWEKDUXDLMC_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXM2DCO2H
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: TVFMSHFDVSCCSQ-UHFFFAOYSA-N
Hvpx_TVFMSHFDVSCCSQ_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_TVFMSHFDVSCCSQ_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_TVFMSHFDVSCCSQ_UHFFFAOYSA_N =  8.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXMEDCO2H
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CTYOPZSWGBYACX-UHFFFAOYSA-N
Hvpx_CTYOPZSWGBYACX_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CTYOPZSWGBYACX_UHFFFAOYSA_N =  3.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CTYOPZSWGBYACX_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYMUCCO2H
! formula:  C_8H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CDVXJWVOWNWWPU-UHFFFAOYSA-N
Hvpx_CDVXJWVOWNWWPU_UHFFFAOYSA_N =  7.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CDVXJWVOWNWWPU_UHFFFAOYSA_N =  6.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CDVXJWVOWNWWPU_UHFFFAOYSA_N =  7.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLMUCO2H
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UVQOKFRFLASUOJ-UHFFFAOYSA-N
Hvpx_UVQOKFRFLASUOJ_UHFFFAOYSA_N =  8.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UVQOKFRFLASUOJ_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UVQOKFRFLASUOJ_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXKTMCO2H
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BXVGKWFSHJVVPB-UHFFFAOYSA-N
Hvpx_BXVGKWFSHJVVPB_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BXVGKWFSHJVVPB_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BXVGKWFSHJVVPB_UHFFFAOYSA_N =  8.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXMKTCO2H
! formula:  C_6H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FTLSPZDBESPPRR-UHFFFAOYSA-N
Hvpx_FTLSPZDBESPPRR_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FTLSPZDBESPPRR_UHFFFAOYSA_N =  4.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FTLSPZDBESPPRR_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXEKTCO2H
! formula:  C_7H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XBMXXNQRKRSRRJ-UHFFFAOYSA-N
Hvpx_XBMXXNQRKRSRRJ_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XBMXXNQRKRSRRJ_UHFFFAOYSA_N =  3.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XBMXXNQRKRSRRJ_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLEMUCCO2H
! formula:  C_7H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YZQFSRDEODCLRC-UHFFFAOYSA-N
Hvpx_YZQFSRDEODCLRC_UHFFFAOYSA_N =  3.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YZQFSRDEODCLRC_UHFFFAOYSA_N =  6.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YZQFSRDEODCLRC_UHFFFAOYSA_N =  4.1E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBZMUCCO2H
! formula:  C_8H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BSMJHSATRRVHTI-UHFFFAOYSA-N
Hvpx_BSMJHSATRRVHTI_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BSMJHSATRRVHTI_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BSMJHSATRRVHTI_UHFFFAOYSA_N =  8.1E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYMUCCO2H
! formula:  C_8H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BMJHPUYAWBLOER-UHFFFAOYSA-N
Hvpx_BMJHPUYAWBLOER_UHFFFAOYSA_N =  6.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BMJHPUYAWBLOER_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BMJHPUYAWBLOER_UHFFFAOYSA_N =  1.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYMUCCO2H
! formula:  C_8H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FMBYVAMRNZYNGO-UHFFFAOYSA-N
Hvpx_FMBYVAMRNZYNGO_UHFFFAOYSA_N =  6.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FMBYVAMRNZYNGO_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FMBYVAMRNZYNGO_UHFFFAOYSA_N =  6.6E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBZMUCO2H
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LXYULRJMRUJREP-UHFFFAOYSA-N
Hvpx_LXYULRJMRUJREP_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LXYULRJMRUJREP_UHFFFAOYSA_N =  1.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LXYULRJMRUJREP_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLMUCO2H
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: TZAADSLPRMCSBM-UHFFFAOYSA-N
Hvpx_TZAADSLPRMCSBM_UHFFFAOYSA_N =  6.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_TZAADSLPRMCSBM_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_TZAADSLPRMCSBM_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZMUCCO2H
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MSVJIRWCUUEXSY-UHFFFAOYSA-N
Hvpx_MSVJIRWCUUEXSY_UHFFFAOYSA_N =  4.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MSVJIRWCUUEXSY_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MSVJIRWCUUEXSY_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLMUCO2H
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YZGPSCFZKHZHEQ-UHFFFAOYSA-N
Hvpx_YZGPSCFZKHZHEQ_UHFFFAOYSA_N =  6.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YZGPSCFZKHZHEQ_UHFFFAOYSA_N =  3.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YZGPSCFZKHZHEQ_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124MUO2H
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VDBMALGYQLXWML-UHFFFAOYSA-N
Hvpx_VDBMALGYQLXWML_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VDBMALGYQLXWML_UHFFFAOYSA_N =  3.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VDBMALGYQLXWML_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM135MUO2H
! formula:  C_9H_{12}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RLMHTEATULORAU-UHFFFAOYSA-N
Hvpx_RLMHTEATULORAU_UHFFFAOYSA_N =  8.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RLMHTEATULORAU_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RLMHTEATULORAU_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMEBMUO2H
! formula:  C_{10}H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GTDCDBIZJZUTJP-UHFFFAOYSA-N
Hvpx_GTDCDBIZJZUTJP_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GTDCDBIZJZUTJP_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GTDCDBIZJZUTJP_UHFFFAOYSA_N =  5.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DETLMUO2H
! formula:  C_{11}H_{16}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FTAMRHAZJZCWNK-UHFFFAOYSA-N
Hvpx_FTAMRHAZJZCWNK_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FTAMRHAZJZCWNK_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FTAMRHAZJZCWNK_UHFFFAOYSA_N =  9.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMCOOH
! formula:  C_3H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ISFGCMQHKVEPTP-UHFFFAOYSA-N
Hvpx_ISFGCMQHKVEPTP_UHFFFAOYSA_N =  2.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ISFGCMQHKVEPTP_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ISFGCMQHKVEPTP_UHFFFAOYSA_N =  2.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMF
! formula:  C_3H_6O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VKWJMTLAAJULGF-UHFFFAOYSA-N
Hvpx_VKWJMTLAAJULGF_UHFFFAOYSA_N =  4.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VKWJMTLAAJULGF_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VKWJMTLAAJULGF_UHFFFAOYSA_N =  3.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMFOOH
! formula:  C_3H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AAAZTRZXKHTMLL-UHFFFAOYSA-N
Hvpx_AAAZTRZXKHTMLL_UHFFFAOYSA_N =  5.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AAAZTRZXKHTMLL_UHFFFAOYSA_N =  9.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AAAZTRZXKHTMLL_UHFFFAOYSA_N =  5.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMCOH
! formula:  C_3H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YGODNDLTUXBUQH-UHFFFAOYSA-N
Hvpx_YGODNDLTUXBUQH_UHFFFAOYSA_N =  7.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YGODNDLTUXBUQH_UHFFFAOYSA_N =  7.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YGODNDLTUXBUQH_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMFOH
! formula:  C_3H_6O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GDDJZBRTXIGGHV-UHFFFAOYSA-N
Hvpx_GDDJZBRTXIGGHV_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GDDJZBRTXIGGHV_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GDDJZBRTXIGGHV_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  GOLIG1
! formula:  C_4H_6O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LEKXYOUPWKVTGM-UHFFFAOYSA-N
Hvpx_LEKXYOUPWKVTGM_UHFFFAOYSA_N =  3.7E-13 * EXP( -19000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  GOLIG2
! formula:  C_4H_8O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: GWSRJJGBNXJVPO-UHFFFAOYSA-N
Hvpx_GWSRJJGBNXJVPO_UHFFFAOYSA_N =  3.7E-16 * EXP( -24000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  GOLIG3
! formula:  C_4H_{10}O_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ADECTKUVLJSMDK-UHFFFAOYSA-N
Hvpx_ADECTKUVLJSMDK_UHFFFAOYSA_N =  1.5E-19 * EXP( -29000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  MGLYFB
! formula:  C_6H_{10}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UCPBJDKPOQEXSQ-UHFFFAOYSA-N
Hvpx_UCPBJDKPOQEXSQ_UHFFFAOYSA_N =  7.7E-10 * EXP( -23000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  MGLYOXDA
! formula:  C_6H_{10}O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QMSLRDMQAWWKIZ-UHFFFAOYSA-N
Hvpx_QMSLRDMQAWWKIZ_UHFFFAOYSA_N =  2.8E-09 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  MGLYOXDB
! formula:  C_6H_{12}O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: IUHMFBWAUOLAFM-UHFFFAOYSA-N
Hvpx_IUHMFBWAUOLAFM_UHFFFAOYSA_N =  3.7E-14 * EXP( -22000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  $\beta$-propiolactone
! formula:  C_3H_4O_2
! trivial:  
! casrn:    57-57-8
! inchikey: VEZXCJBBBCKRPI-UHFFFAOYSA-N
Hvpx______57_57_8 =  4.2E-02                                  ! [atm] type: ?, ref: 3766

! species:  2-methyl-1,3-dioxolane
! formula:  C_4H_8O_2
! trivial:  
! casrn:    497-26-7
! inchikey: HTWIZMNMTWYQRN-UHFFFAOYSA-N
Hvpx_____497_26_7 =  6.9E-01                                  ! [atm] type: ?, ref: 3766

! species:  DIEPOXO3
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QGQUFAZKBSHWQB-UHFFFAOYSA-N
Hvpx_QGQUFAZKBSHWQB_UHFFFAOYSA_N =  4.3E-04 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  IEPOXO4
! formula:  C_5H_8O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DNQIATHBSKHPLN-UHFFFAOYSA-N
Hvpx_DNQIATHBSKHPLN_UHFFFAOYSA_N =  2.6E-05 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  2,2-dimethyl-1,3-dioxolane
! formula:  C_5H_{10}O_2
! trivial:  
! casrn:    2916-31-6
! inchikey: SIJBDWPVNAYVGY-UHFFFAOYSA-N
Hvpx____2916_31_6 =  1.1E+00                                  ! [atm] type: ?, ref: 3766

! species:  METHFDIOL
! formula:  C_5H_{10}O_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UNAIOYXCADSMDR-UHFFFAOYSA-N
Hvpx_UNAIOYXCADSMDR_UHFFFAOYSA_N =  6.1E-07 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  3,4-dihydro-2-methoxy-2H-pyran
! formula:  C_6H_{10}O_2
! trivial:  
! casrn:    4454-05-1
! inchikey: XCYWUZHUTJDTGS-UHFFFAOYSA-N
Hvpx____4454_05_1 =  5.6E+00                                  ! [atm] type: ?, ref: 3766

! species:  maltol
! formula:  C_6H_6O_3
! trivial:  
! casrn:    118-71-8
! inchikey: XPCTZQVDEJYUGT-UHFFFAOYSA-N
Hvpx_____118_71_8 =  7.4E-04                                  ! [atm] type: Q, ref: 3627

! species:  2-methylfuran
! formula:  C_5H_6O
! trivial:  
! casrn:    534-22-5
! inchikey: VQKFNUFAXTZWDK-UHFFFAOYSA-N
Hvpx_____534_22_5 =  3.7E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3215

! species:  3-methylfuran
! formula:  C_5H_6O
! trivial:  
! casrn:    930-27-8
! inchikey: KJRRQXYWFQKJIP-UHFFFAOYSA-N
Hvpx_____930_27_8 =  1.7E+02                                  ! [atm] type: Q, ref: 3719

! species:  2-furanmethanol
! formula:  C_5H_6O_2
! trivial:  furfuryl alcohol
! casrn:    98-00-0
! inchikey: XPFVYQJUAUNWIW-UHFFFAOYSA-N
Hvpx______98_00_0 =  4.3E-03                                  ! [atm] type: V, ref: 3586
Hvpx______98_00_0 =  4.4E-03                                  ! [atm] type: V, ref: 3088
Hvpx______98_00_0 =  2.2E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______98_00_0 =  2.5E-02                                  ! [atm] type: Q, ref: 3682
Hvpx______98_00_0 =  2.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______98_00_0 =  1.0E-02                                  ! [atm] type: Q, ref: 3406
Hvpx______98_00_0 =  8.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______98_00_0 =  1.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______98_00_0 =  1.1E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______98_00_0 =  1.6E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______98_00_0 =  1.1E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______98_00_0 =  1.1E-03                                  ! [atm] type: Q, ref: 3764
Hvpx______98_00_0 =  5.1E-03                                  ! [atm] type: ?, ref: 2440

! species:  tetrahydropyran-2-methanol
! formula:  C_6H_{12}O_2
! trivial:  
! casrn:    100-72-1
! inchikey: ROTONRWJLXYJBD-UHFFFAOYSA-N
Hvpx_____100_72_1 =  8.5E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____100_72_1 =  1.0E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_72_1 =  8.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_72_1 =  1.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_72_1 =  2.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_72_1 =  6.0E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_72_1 =  6.4E-03                                  ! [atm] type: Q, ref: 2530

! species:  oxirane
! formula:  C_2H_4O
! trivial:  ethylene oxide
! casrn:    75-21-8
! inchikey: IAYPIBMASNFSPL-UHFFFAOYSA-N
Hvpx______75_21_8 =  9.4E+00 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2534
Hvpx______75_21_8 =  6.6E+00                                  ! [atm] type: V, ref: 477
Hvpx______75_21_8 =  6.4E+00                                  ! [atm] type: V, ref: 635
Hvpx______75_21_8 =  1.1E+01                                  ! [atm] type: V, ref: 2439
Hvpx______75_21_8 =  9.1E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______75_21_8 =  4.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______75_21_8 =  5.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_21_8 =  9.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_21_8 =  9.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_21_8 =  1.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______75_21_8 =  1.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______75_21_8 =  8.2E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______75_21_8 =  5.3E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______75_21_8 =  8.2E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______75_21_8 =  1.3E+01                                  ! [atm] type: ?, ref: 2440

! species:  1,2-epoxypropane
! formula:  C_3H_6O
! trivial:  1,2-propylene oxide
! casrn:    75-56-9
! inchikey: GOOHAUXETOMSMM-UHFFFAOYSA-N
Hvpx______75_56_9 =  3.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx______75_56_9 =  3.9E+00                                  ! [atm] type: V, ref: 3088
Hvpx______75_56_9 =  4.7E+00                                  ! [atm] type: V, ref: 2613
Hvpx______75_56_9 =  4.6E+00                                  ! [atm] type: V, ref: 477
Hvpx______75_56_9 =  4.7E+00                                  ! [atm] type: V, ref: 635
Hvpx______75_56_9 =  3.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_56_9 =  1.1E+01                                  ! [atm] type: X, ref: usepa82
Hvpx______75_56_9 =  1.1E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______75_56_9 =  8.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______75_56_9 =  4.6E+00                                  ! [atm] type: Q, ref: 3579
Hvpx______75_56_9 =  3.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______75_56_9 =  3.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______75_56_9 =  4.3E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______75_56_9 =  4.0E+00                                  ! [atm] type: ?, ref: 2440

! species:  phenyloxirane
! formula:  C_8H_8O
! trivial:  styrene oxide
! casrn:    96-09-3
! inchikey: AWMVMTVKBNGEAK-UHFFFAOYSA-N
Hvpx______96_09_3 =  8.9E-01                                  ! [atm] type: V, ref: 3088
Hvpx______96_09_3 =  9.4E-01                                  ! [atm] type: V, ref: 2613
Hvpx______96_09_3 =  9.4E-01                                  ! [atm] type: V, ref: 635
Hvpx______96_09_3 =  8.7E-01                                  ! [atm] type: V, ref: 1145
Hvpx______96_09_3 =  2.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______96_09_3 =  9.9E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______96_09_3 =  5.4E-01                                  ! [atm] type: Q, ref: 1145

! species:  oxacyclopentadiene
! formula:  C_4H_4O
! trivial:  furan; furfuran
! casrn:    110-00-9
! inchikey: YLQBMQCUIZJEEH-UHFFFAOYSA-N
Hvpx_____110_00_9 =  3.0E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____110_00_9 =  3.0E+02                                  ! [atm] type: V, ref: 2613
Hvpx_____110_00_9 =  3.0E+02                                  ! [atm] type: V, ref: 635
Hvpx_____110_00_9 =  3.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_00_9 =  3.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_00_9 =  2.5E+02                                  ! [atm] type: Q, ref: 3682
Hvpx_____110_00_9 =  1.2E+02                                  ! [atm] type: Q, ref: 3728
Hvpx_____110_00_9 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_00_9 =  2.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_00_9 =  2.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_00_9 =  2.9E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_00_9 =  2.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_00_9 =  2.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_00_9 =  1.3E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____110_00_9 =  4.7E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_00_9 =  3.0E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____110_00_9 =  3.0E+02                                  ! [atm] type: ?, ref: 789

! species:  dibenzofuran
! formula:  C_{12}H_8O
! trivial:  2,2'-biphenylene oxide
! casrn:    132-64-9
! inchikey: TXCDCPKCNAJMEE-UHFFFAOYSA-N
Hvpx_____132_64_9 =  7.3E+00 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____132_64_9 =  1.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____132_64_9 =  1.2E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____132_64_9 =  7.7E+00                                  ! [atm] type: V, ref: 2612
Hvpx_____132_64_9 =  7.5E+00                                  ! [atm] type: V, ref: 1112
Hvpx_____132_64_9 =  6.0E+00                                  ! [atm] type: X, ref: 634
Hvpx_____132_64_9 =  6.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____132_64_9 =  2.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____132_64_9 =  6.1E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____132_64_9 =  6.6E+00                                  ! [atm] type: Q, ref: 2915
Hvpx_____132_64_9 =  1.2E+01                                  ! [atm] type: Q, ref: 1112

! species:  2-furancarboxaldehyde
! formula:  C_5H_4O_2
! trivial:  furfural; 2-furanaldehyde
! casrn:    98-01-1
! inchikey: HYBBIBNJHNGZAN-UHFFFAOYSA-N
Hvpx______98_01_1 =  2.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx______98_01_1 =  2.1E-01                                  ! [atm] type: V, ref: 3088
Hvpx______98_01_1 =  2.0E-01                                  ! [atm] type: V, ref: 2613
Hvpx______98_01_1 =  2.0E-01                                  ! [atm] type: V, ref: 636
Hvpx______98_01_1 =  1.8E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______98_01_1 =  1.8E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______98_01_1 =  5.7E-02                                  ! [atm] type: Q, ref: 3682
Hvpx______98_01_1 =  6.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______98_01_1 =  3.3E-01                                  ! [atm] type: Q, ref: 3406
Hvpx______98_01_1 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______98_01_1 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______98_01_1 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______98_01_1 =  1.8E-01                                  ! [atm] type: Q, ref: 3579
Hvpx______98_01_1 =  9.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______98_01_1 =  6.7E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______98_01_1 =  7.5E+00                                  ! [atm] type: Q, ref: 2597
Hvpx______98_01_1 =  7.5E+00                                  ! [atm] type: Q, ref: 2599
Hvpx______98_01_1 =  1.8E-01                                  ! [atm] type: ?, ref: 2440

! species:  5-methylfurfural
! formula:  C_6H_6O_2
! trivial:  
! casrn:    620-02-0
! inchikey: OUDFNZMQXZILJD-UHFFFAOYSA-N
Hvpx_____620_02_0 =  1.2E-01                                  ! [atm] type: ?, ref: 3766

! species:  2,2-dimethyloxirane
! formula:  C_4H_8O
! trivial:  isobutylene oxide
! casrn:    558-30-5
! inchikey: GELKGHVAFRCJNA-UHFFFAOYSA-N
Hvpx_____558_30_5 =  1.9E+01                                  ! [atm] type: ?, ref: 3766

! species:  tetrahydrofuran
! formula:  C_4H_8O
! trivial:  THF
! casrn:    109-99-9
! inchikey: WYURNTSHIVDZCO-UHFFFAOYSA-N
Hvpx_____109_99_9 =  3.7E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____109_99_9 =  3.7E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3305
Hvpx_____109_99_9 =  8.5E-01                                  ! [atm] type: M, ref: 3646
Hvpx_____109_99_9 =  9.2E-01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3648
Hvpx_____109_99_9 =  2.5E+00                                  ! [atm] type: M, ref: 795
Hvpx_____109_99_9 =  3.9E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: T, ref: 723
Hvpx_____109_99_9 =  9.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_99_9 =  5.0E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_99_9 =  4.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_99_9 =  6.4E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____109_99_9 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_99_9 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_99_9 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_99_9 =  9.1E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____109_99_9 =  4.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_99_9 =  1.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_99_9 =  3.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_99_9 =  4.2E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_99_9 =  2.3E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_99_9 =  4.2E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____109_99_9 =  3.9E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____109_99_9 =  2.9E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____109_99_9 =  3.8E+00                                  ! [atm] type: ?, ref: 1500

! species:  tetrahydrofuran-d8
! formula:  C_4D_8O
! trivial:  THF-d8
! casrn:    1693-74-9
! inchikey: WYURNTSHIVDZCO-SVYQBANQSA-N
Hvpx____1693_74_9 =  2.3E+00 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  2-methyltetrahydrofuran
! formula:  CH_3C_4H_7O
! trivial:  
! casrn:    96-47-9
! inchikey: JWUJQDFVADABEY-UHFFFAOYSA-N
Hvpx______96_47_9 =  3.6E+02                                  ! [atm] type: V, ref: 635
Hvpx______96_47_9 =  5.2E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: T, ref: 723
Hvpx______96_47_9 =  3.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______96_47_9 =  1.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______96_47_9 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______96_47_9 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______96_47_9 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______96_47_9 =  8.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______96_47_9 =  3.2E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______96_47_9 =  5.4E+00                                  ! [atm] type: Q, ref: 2543
Hvpx______96_47_9 =  2.2E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______96_47_9 =  6.0E+00                                  ! [atm] type: Q, ref: 1162
Hvpx______96_47_9 =  5.1E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,5-dimethyltetrahydrofuran
! formula:  (CH_3)_2C_4H_6O
! trivial:  
! casrn:    1003-38-9
! inchikey: OXMIDRBAFOEOQT-UHFFFAOYSA-N
Hvpx____1003_38_9 =  9.8E+00 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: T, ref: 723
Hvpx____1003_38_9 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx____1003_38_9 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx____1003_38_9 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx____1003_38_9 =  1.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx____1003_38_9 =  2.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx____1003_38_9 =  6.9E+00                                  ! [atm] type: Q, ref: 2543

! species:  tetrahydropyran
! formula:  C_5H_{10}O
! trivial:  THP
! casrn:    142-68-7
! inchikey: DHXVGJBLRPWPCS-UHFFFAOYSA-N
Hvpx_____142_68_7 =  6.8E+00 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____142_68_7 =  6.6E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3305
Hvpx_____142_68_7 =  5.2E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____142_68_7 =  5.2E+00                                  ! [atm] type: V, ref: 635
Hvpx_____142_68_7 =  7.0E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: T, ref: 723
Hvpx_____142_68_7 =  3.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____142_68_7 =  4.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____142_68_7 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_68_7 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_68_7 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____142_68_7 =  4.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____142_68_7 =  7.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____142_68_7 =  6.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____142_68_7 =  2.7E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____142_68_7 =  2.1E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____142_68_7 =  5.5E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____142_68_7 =  6.9E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____142_68_7 =  6.9E+00                                  ! [atm] type: ?, ref: 1500

! species:  3-methyltetrahydropyran
! formula:  C_6H_{12}O
! trivial:  
! casrn:    26093-63-0
! inchikey: UJQZTMFRMLEYQN-UHFFFAOYSA-N

! species:  3,4-dihydro-2H-pyran
! formula:  C_5H_8O
! trivial:  
! casrn:    110-87-2
! inchikey: BUDQDWGNQVEFAC-UHFFFAOYSA-N

! species:  1,3-dioxolane
! formula:  C_3H_6O_2
! trivial:  
! casrn:    646-06-0
! inchikey: WNXJIVFYUVYPPR-UHFFFAOYSA-N
Hvpx_____646_06_0 =  1.3E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3305
Hvpx_____646_06_0 =  1.4E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: T, ref: 723
Hvpx_____646_06_0 =  6.8E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____646_06_0 =  2.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____646_06_0 =  3.7E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____646_06_0 =  2.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____646_06_0 =  1.4E+00                                  ! [atm] type: ?, ref: 3586

! species:  1,3-dioxane
! formula:  C_4H_8O_2
! trivial:  
! casrn:    505-22-6
! inchikey: VDFVNEFVBPFDSB-UHFFFAOYSA-N
Hvpx_____505_22_6 =  3.0E-01                                  ! [atm] type: M, ref: 3526
Hvpx_____505_22_6 =  2.6E-01                                  ! [atm] type: Q, ref: 2521

! species:  1,4-dioxane
! formula:  C_4H_8O_2
! trivial:  dioxane
! casrn:    123-91-1
! inchikey: RYHBNJHYFVUHQT-UHFFFAOYSA-N
Hvpx_____123_91_1 =  3.0E-01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____123_91_1 =  2.4E-01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____123_91_1 =  2.7E-01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3305
Hvpx_____123_91_1 =  2.7E-01                                  ! [atm] type: M, ref: 3646
Hvpx_____123_91_1 =  3.9E-01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 857
Hvpx_____123_91_1 =  2.6E-01                                  ! [atm] type: M, ref: 2449
Hvpx_____123_91_1 =  1.2E-01                                  ! [atm] type: M, ref: 3640
Hvpx_____123_91_1 =  3.8E-01                                  ! [atm] type: M, ref: 729
Hvpx_____123_91_1 =  2.5E-01                                  ! [atm] type: M, ref: 792
Hvpx_____123_91_1 =  2.9E-01                                  ! [atm] type: V, ref: 2439
Hvpx_____123_91_1 =  5.0E-01                                  ! [atm] type: V, ref: 2388
Hvpx_____123_91_1 =  2.7E-01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: T, ref: 723
Hvpx_____123_91_1 =  5.1E-01                                  ! [atm] type: Q, ref: 3728
Hvpx_____123_91_1 =  5.0E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____123_91_1 =  1.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_91_1 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_91_1 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_91_1 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____123_91_1 =  1.7E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_91_1 =  4.3E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_91_1 =  3.7E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____123_91_1 =  6.6E-01                                  ! [atm] type: Q, ref: 731
Hvpx_____123_91_1 =  2.7E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____123_91_1 =  3.1E-01                                  ! [atm] type: ?, ref: 2440
Hvpx_____123_91_1 =  2.7E-01                                  ! [atm] type: ?, ref: 510
Hvpx_____123_91_1 =  2.5E-01                                  ! [atm] type: ?, ref: 510
Hvpx_____123_91_1 =  3.8E-01                                  ! [atm] type: ?, ref: 789

! species:  1,4-dioxane-d8
! formula:  C_4D_8O_2
! trivial:  dioxane-d8
! casrn:    17647-74-4
! inchikey: RYHBNJHYFVUHQT-SVYQBANQSA-N
Hvpx___17647_74_4 =  2.0E-01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  trioxane
! formula:  C_3H_6O_3
! trivial:  
! casrn:    110-88-3
! inchikey: BGJSXRVXTHVRSN-UHFFFAOYSA-N
Hvpx_____110_88_3 =  5.7E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_88_3 =  2.0E-01                                  ! [atm] type: Q, ref: 3682

! species:  4-methyl-1,3-dioxolan-2-one
! formula:  C_4H_6O_3
! trivial:  propylene carbonate
! casrn:    108-32-7
! inchikey: RUOJZAUFBMNUDX-UHFFFAOYSA-N
Hvpx_____108_32_7 =  1.9E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____108_32_7 =  1.9E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____108_32_7 =  3.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_32_7 =  3.9E-03                                  ! [atm] type: ?, ref: 1500

! species:  1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
! formula:  C_{10}H_{18}O
! trivial:  eucalyptol; 1,8-cineole
! casrn:    470-82-6
! inchikey: WEEGYLXZBRQIMU-UHFFFAOYSA-N
Hvpx_____470_82_6 =  9.2E+00                                  ! [atm] type: M, ref: 3007
Hvpx_____470_82_6 =  4.7E+00                                  ! [atm] type: M, ref: 2388
Hvpx_____470_82_6 =  6.1E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____470_82_6 =  7.2E+00                                  ! [atm] type: V, ref: 2124
Hvpx_____470_82_6 =  7.4E+00                                  ! [atm] type: V, ref: 2487
Hvpx_____470_82_6 =  7.0E+00                                  ! [atm] type: V, ref: 2388
Hvpx_____470_82_6 =  1.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____470_82_6 =  2.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____470_82_6 =  4.3E+00                                  ! [atm] type: Q, ref: 2530

! species:  limonene oxide
! formula:  C_{10}H_{16}O
! trivial:  
! casrn:    1195-92-2
! inchikey: CCEFMUBVSUDRLG-UHFFFAOYSA-N
Hvpx____1195_92_2 =  9.8E+00                                  ! [atm] type: M, ref: 2462
Hvpx____1195_92_2 =  9.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx____1195_92_2 =  2.0E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125
Hvpx____1195_92_2 =  1.1E+01                                  ! [atm] type: Q, ref: 3586

! species:  dibenzo[$b,e$][1,4]dioxin
! formula:  C_{12}H_8O_2
! trivial:  dibenzo-$p$-dioxin
! casrn:    262-12-4
! inchikey: NFBOHOGPQUYFRF-UHFFFAOYSA-N
Hvpx_____262_12_4 =  6.1E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____262_12_4 =  6.1E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____262_12_4 =  6.4E+00                                  ! [atm] type: V, ref: 2612
Hvpx_____262_12_4 =  5.8E+01                                  ! [atm] type: V, ref: 2915
Hvpx_____262_12_4 =  6.4E+00                                  ! [atm] type: V, ref: 1112
Hvpx_____262_12_4 =  6.7E+00                                  ! [atm] type: V, ref: 854
Hvpx_____262_12_4 =  2.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____262_12_4 =  2.1E+01                                  ! [atm] type: Q, ref: 2915
Hvpx_____262_12_4 =  8.7E+00                                  ! [atm] type: Q, ref: 2949
Hvpx_____262_12_4 =  6.0E+00                                  ! [atm] type: Q, ref: 1112

! species:  piperonal
! formula:  C_8H_6O_3
! trivial:  
! casrn:    120-57-0
! inchikey: SATCULPHIDQDRE-UHFFFAOYSA-N
Hvpx_____120_57_0 =  3.1E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____120_57_0 =  3.1E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____120_57_0 =  3.5E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____120_57_0 =  1.3E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____120_57_0 =  5.0E-02                                  ! [atm] type: Q, ref: 2530

! species:  paraldehyde
! formula:  C_6H_{12}O_3
! trivial:  
! casrn:    123-63-7
! inchikey: SQYNKIJPMDEDEG-UHFFFAOYSA-N
Hvpx_____123_63_7 =  9.5E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____123_63_7 =  2.2E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____123_63_7 =  1.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_63_7 =  1.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_63_7 =  2.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_63_7 =  8.5E-01                                  ! [atm] type: ?, ref: 2440

! species:  benzofuran
! formula:  C_8H_6O
! trivial:  
! casrn:    271-89-6
! inchikey: IANQTJSKSUMEQM-UHFFFAOYSA-N
Hvpx_____271_89_6 =  2.9E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____271_89_6 =  2.9E+01                                  ! [atm] type: Q, ref: 2521

! species:  $\gamma$-nonalactone
! formula:  C_9H_{16}O_2
! trivial:  
! casrn:    104-61-0
! inchikey: OALYTRUKMRCXNH-UHFFFAOYSA-N
Hvpx_____104_61_0 =  3.1E+00                                  ! [atm] type: Q, ref: 2599

! species:  xanthene
! formula:  C_{13}H_{10}O
! trivial:  
! casrn:    92-83-1
! inchikey: GJCOSYZMQJWQCA-UHFFFAOYSA-N
Hvpx______92_83_1 =  4.3E+00                                  ! [atm] type: Q, ref: 3627

! species:  1,5,5,9-tetramethyl-13-oxatricyclo(8.3.0.0(4,9))tridecane
! formula:  C_{16}H_{28}O
! trivial:  ambroxan
! casrn:    3738-00-9
! inchikey: YPZUZOLGGMJZJO-UHFFFAOYSA-N
Hvpx____3738_00_9 =  2.7E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____3738_00_9 =  1.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____3738_00_9 =  8.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____3738_00_9 =  5.1E+02                                  ! [atm] type: Q, ref: 2995

! species:  1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[$g$]-2-benzopyran
! formula:  C_{18}H_{26}O
! trivial:  
! casrn:    1222-05-5
! inchikey: ONKNPOPIGWHAQC-UHFFFAOYSA-N
Hvpx____1222_05_5 =  7.2E+00                                  ! [atm] type: V, ref: 3088
Hvpx____1222_05_5 =  7.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1222_05_5 =  6.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____1222_05_5 =  6.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1222_05_5 =  5.5E+01                                  ! [atm] type: Q, ref: 2995

! species:  cinmethylin
! formula:  C_{18}H_{26}O_2
! trivial:  
! casrn:    87818-31-3
! inchikey: QMTNOLKHSWIQBE-FGTMMUONSA-N
Hvpx___87818_31_3 =  4.3E-02                                  ! [atm] type: ?, ref: 3766

! species:  milbemycin A4
! formula:  C_{32}H_{46}O_7
! trivial:  milbemectin A4
! casrn:    51596-11-3
! inchikey: VOZIAWLUULBIPN-LRBNAKOISA-N
Hvpx___51596_11_3 =  7.1E-08                                  ! [atm] type: ?, ref: 3766

! species:  (1S-endo)-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-ol
! formula:  C_{10}H_{18}O
! trivial:  1S-endo-(-)-borneol
! casrn:    464-45-9
! inchikey: DTGKSKDOIYIVQL-QXFUBDJGSA-N
Hvpx_____464_45_9 =  1.2E+00                                  ! [atm] type: M, ref: 2462
Hvpx_____464_45_9 =  7.6E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____464_45_9 =  1.4E+00                                  ! [atm] type: Q, ref: 3586

! species:  (1R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
! formula:  C_{10}H_{18}O
! trivial:  endo-(+)-fenchyl alcohol
! casrn:    2217-02-9
! inchikey: IAIHUHQCLTYTSF-OYNCUSHFSA-N
Hvpx____2217_02_9 =  1.5E+00                                  ! [atm] type: M, ref: 2462
Hvpx____2217_02_9 =  1.5E+00                                  ! [atm] type: V, ref: 3586
Hvpx____2217_02_9 =  1.4E+00                                  ! [atm] type: Q, ref: 3586

! species:  2-(4-methyl-3-cyclohexen-1-yl)-2-propanol
! formula:  C_{10}H_{18}O
! trivial:  $\alpha$-terpineol
! casrn:    98-55-5
! inchikey: WUOACPNHFRMFPN-UHFFFAOYSA-N
Hvpx______98_55_5 =  1.2E-01 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2124
Hvpx______98_55_5 =  1.3E-01                                  ! [atm] type: V, ref: 2124
Hvpx______98_55_5 =  9.2E-01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125
Hvpx______98_55_5 =  1.3E-01                                  ! [atm] type: V, ref: 2487
Hvpx______98_55_5 =  7.4E-01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2464
Hvpx______98_55_5 =  8.4E-02                                  ! [atm] type: Q, ref: 3682
Hvpx______98_55_5 =  1.5E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______98_55_5 =  6.7E-01                                  ! [atm] type: Q, ref: 2530

! species:  1,2-dimethyl-3-(1-methylethenyl)-cyclopentanol
! formula:  C_{10}H_{18}O
! trivial:  plinol
! casrn:    72402-00-7
! inchikey: ZRVPDCMGGOSDKG-UHFFFAOYSA-N
Hvpx___72402_00_7 =  1.0E+00                                  ! [atm] type: V, ref: 3586
Hvpx___72402_00_7 =  1.4E+00 * EXP( -17000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2464
Hvpx___72402_00_7 =  1.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___72402_00_7 =  4.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx___72402_00_7 =  3.4E-01                                  ! [atm] type: Q, ref: 2530

! species:  1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane
! formula:  C_{10}H_{18}O
! trivial:  1,4-cineole
! casrn:    470-67-7
! inchikey: RFFOTVCVTJUTAD-UHFFFAOYSA-N
Hvpx_____470_67_7 =  1.4E+01                                  ! [atm] type: M, ref: 2955
Hvpx_____470_67_7 =  7.4E+00                                  ! [atm] type: V, ref: 2124
Hvpx_____470_67_7 =  3.9E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125

! species:  1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one
! formula:  C_{10}H_{16}O
! trivial:  camphor
! casrn:    76-22-2
! inchikey: DSSYKIVIOFKYAU-UHFFFAOYSA-N
Hvpx______76_22_2 =  4.5E+00                                  ! [atm] type: V, ref: 3586
Hvpx______76_22_2 =  4.5E+00                                  ! [atm] type: V, ref: 3088
Hvpx______76_22_2 =  4.9E-01                                  ! [atm] type: V, ref: 2124
Hvpx______76_22_2 =  1.0E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125
Hvpx______76_22_2 =  6.7E-01                                  ! [atm] type: V, ref: 2487
Hvpx______76_22_2 =  2.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______76_22_2 =  1.6E+00                                  ! [atm] type: Q, ref: 2530

! species:  2,7,7-trimethyl-3-oxatricyclo[4.1.1.0(2,4)]octane
! formula:  C_{10}H_{16}O
! trivial:  (-)-$\alpha$-pinene oxide
! casrn:    1686-14-2
! inchikey: NQFUSWIGRKFAHK-UHFFFAOYSA-N
Hvpx____1686_14_2 =  2.3E+01                                  ! [atm] type: M, ref: 2462
Hvpx____1686_14_2 =  2.3E+01                                  ! [atm] type: V, ref: 3586
Hvpx____1686_14_2 =  2.3E+01                                  ! [atm] type: V, ref: 2124
Hvpx____1686_14_2 =  1.0E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125
Hvpx____1686_14_2 =  2.5E+01                                  ! [atm] type: Q, ref: 3586

! species:  5-methyl-2-(1-methylethylidene)-cyclohexanone
! formula:  C_{10}H_{16}O
! trivial:  pulegone
! casrn:    89-82-7
! inchikey: NZGWDASTMWDZIW-UHFFFAOYSA-N
Hvpx______89_82_7 =  2.0E+00 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2125
Hvpx______89_82_7 =  3.3E+00                                  ! [atm] type: Q, ref: 3088

! species:  exo-2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-oxy]ethanol
! formula:  C_{12}H_{22}O_2
! trivial:  arbanol
! casrn:    7070-15-7
! inchikey: IWWCSDGEIDYEJV-JBLDHEPKSA-N
Hvpx____7070_15_7 =  5.4E-01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2464

! species:  bornyl acetate
! formula:  C_{12}H_{20}O_2
! trivial:  
! casrn:    5655-61-8
! inchikey: KGEKLUUHTZCSIP-SCVCMEIPSA-N
Hvpx____5655_61_8 =  1.4E+03 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3216

! species:  $\beta$-ionone
! formula:  C_{13}H_{20}O
! trivial:  
! casrn:    79-77-6
! inchikey: PSQYTAPXSHCGMF-BQYQJAHWSA-N
Hvpx______79_77_6 =  4.5E-01                                  ! [atm] type: M, ref: 2462
Hvpx______79_77_6 =  4.5E+00                                  ! [atm] type: V, ref: 3586
Hvpx______79_77_6 =  3.6E+01                                  ! [atm] type: Q, ref: 3521
Hvpx______79_77_6 =  8.3E+01                                  ! [atm] type: Q, ref: 3586

! species:  nerolidol
! formula:  C_{15}H_{26}O
! trivial:  
! casrn:    7212-44-4
! inchikey: FQTLCLSUCSAZDY-UHFFFAOYSA-N
Hvpx____7212_44_4 =  1.7E+03 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3216

! species:  oxoethanoic acid
! formula:  OHCCOOH
! trivial:  glyoxylic acid
! casrn:    298-12-4
! inchikey: HHLFWLYXYJOTON-UHFFFAOYSA-N
Hvpx_____298_12_4 =  5.1E-03 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____298_12_4 =  5.1E-03 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____298_12_4 =  5.1E-03 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____298_12_4 =  5.1E-03 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2401
Hvpx_____298_12_4 =  4.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____298_12_4 =  3.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____298_12_4 =  7.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____298_12_4 =  1.7E-04                                  ! [atm] type: Q, ref: 3088
Hvpx_____298_12_4 =  7.0E-06                                  ! [atm] type: Q, ref: 2546
Hvpx_____298_12_4 =  2.2E-09                                  ! [atm] type: Q, ref: 2546
Hvpx_____298_12_4 =  1.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____298_12_4 =  6.1E-03                                  ! [atm] type: E, ref: 588

! species:  hydroxyethanoic acid
! formula:  HOCH_2COOH
! trivial:  glycolic acid
! casrn:    79-14-1
! inchikey: AEMRFAOFKBGASW-UHFFFAOYSA-N
Hvpx______79_14_1 =  2.0E-03 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_14_1 =  2.0E-03 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______79_14_1 =  2.0E-03 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______79_14_1 =  2.0E-03 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2401
Hvpx______79_14_1 =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx______79_14_1 =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx______79_14_1 =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx______79_14_1 =  4.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______79_14_1 =  1.8E-05                                  ! [atm] type: Q, ref: 2546
Hvpx______79_14_1 =  4.4E-03                                  ! [atm] type: Q, ref: 2546

! species:  2-hydroxyethanal
! formula:  HOCH_2CHO
! trivial:  hydroxyacetaldehyde; glycolaldehyde
! casrn:    141-46-8
! inchikey: WGCNASOHLSPBMP-UHFFFAOYSA-N
Hvpx_____141_46_8 =  1.4E-03 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____141_46_8 =  1.4E-03 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____141_46_8 =  1.3E-03 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 484
Hvpx_____141_46_8 =  5.5E-04                                  ! [atm] type: C, ref: 2527
Hvpx_____141_46_8 =  1.9E-03                                  ! [atm] type: Q, ref: 3730
Hvpx_____141_46_8 =  3.0E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____141_46_8 =  4.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____141_46_8 =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____141_46_8 =  1.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____141_46_8 =  1.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_46_8 =  7.0E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_46_8 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____141_46_8 =  8.3E-04                                  ! [atm] type: Q, ref: 2521
Hvpx_____141_46_8 =  2.3E-03                                  ! [atm] type: Q, ref: 2530
Hvpx_____141_46_8 =  1.3E-03                                  ! [atm] type: ?, ref: 3586

! species:  propanonal
! formula:  CH_3COCHO
! trivial:  methylglyoxal; pyruvaldehyde
! casrn:    78-98-8
! inchikey: AIJULSRZWUXGPQ-UHFFFAOYSA-N
Hvpx______78_98_8 =  1.6E-02 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______78_98_8 =  1.6E-02 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______78_98_8 =  1.7E-03                                  ! [atm] type: M, ref: 630
Hvpx______78_98_8 =  1.6E-02 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 484
Hvpx______78_98_8 =  1.5E-03                                  ! [atm] type: C, ref: 2527
Hvpx______78_98_8 =  1.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______78_98_8 =  4.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______78_98_8 =  1.9E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______78_98_8 =  8.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______78_98_8 =  1.1E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______78_98_8 =  1.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______78_98_8 =  3.9E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______78_98_8 =  6.6E-02                                  ! [atm] type: Q, ref: 3764

! species:  2-oxopropanoic acid
! formula:  CH_3COCOOH
! trivial:  pyruvic acid
! casrn:    127-17-3
! inchikey: LCTONWCANYUPML-UHFFFAOYSA-N
Hvpx_____127_17_3 =  1.8E-04 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____127_17_3 =  1.8E-04 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____127_17_3 =  1.8E-04 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____127_17_3 =  1.8E-04 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____127_17_3 =  1.8E-04 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____127_17_3 =  1.8E-04 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 493
Hvpx_____127_17_3 =  1.8E-04                                  ! [atm] type: M, ref: 1063
Hvpx_____127_17_3 =  1.8E-04 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2230
Hvpx_____127_17_3 =  2.5E-05                                  ! [atm] type: Q, ref: 3730
Hvpx_____127_17_3 =  2.4E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____127_17_3 =  7.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____127_17_3 =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____127_17_3 =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____127_17_3 =  3.5E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____127_17_3 =  2.8E-07                                  ! [atm] type: Q, ref: 2546
Hvpx_____127_17_3 =  1.1E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____127_17_3 =  2.1E-04                                  ! [atm] type: Q, ref: 2521
Hvpx_____127_17_3 =  2.1E-04                                  ! [atm] type: Q, ref: 2530
Hvpx_____127_17_3 =  1.8E-04                                  ! [atm] type: ?, ref: 3586

! species:  3-oxopropanoic acid
! formula:  OHCCH_2COOH
! trivial:  
! casrn:    926-61-4
! inchikey: OAKURXIZZOAYBC-UHFFFAOYSA-N
Hvpx_____926_61_4 =  5.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____926_61_4 =  4.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____926_61_4 =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____926_61_4 =  7.9E-03                                  ! [atm] type: E, ref: 588

! species:  2-hydroxypropanoic acid
! formula:  CH_3CHOHCOOH
! trivial:  lactic acid
! casrn:    50-21-5
! inchikey: JVTAAEKCZFNVCJ-UHFFFAOYSA-N
Hvpx______50_21_5 =  4.5E-03                                  ! [atm] type: V, ref: 3586
Hvpx______50_21_5 =  4.5E-03                                  ! [atm] type: V, ref: 3088
Hvpx______50_21_5 =  4.9E-04                                  ! [atm] type: Q, ref: 3586
Hvpx______50_21_5 =  5.5E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______50_21_5 =  5.5E-05                                  ! [atm] type: Q, ref: 2546
Hvpx______50_21_5 =  5.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______50_21_5 =  7.9E-07                                  ! [atm] type: E, ref: 588

! species:  glycidaldehyde
! formula:  C_3H_4O_2
! trivial:  
! casrn:    765-34-4
! inchikey: IWYRWIUNAVNFPE-UHFFFAOYSA-N
Hvpx_____765_34_4 =  2.8E-02                                  ! [atm] type: Q, ref: 3088

! species:  trimethylene oxide
! formula:  C_3H_6O
! trivial:  1,3-epoxypropane; 1,3-propylene oxide; oxetane
! casrn:    503-30-0
! inchikey: AHHWIHXENZJRFG-UHFFFAOYSA-N
Hvpx_____503_30_0 =  1.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____503_30_0 =  1.4E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____503_30_0 =  4.6E+00                                  ! [atm] type: Q, ref: 3586

! species:  2,3-dihydroxypropanal
! formula:  C_3H_6O_3
! trivial:  glyceraldehyde
! casrn:    367-47-5
! inchikey: MNQZXJOMYWMBOU-UHFFFAOYSA-N
Hvpx_____367_47_5 =  3.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____367_47_5 =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____367_47_5 =  6.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____367_47_5 =  2.8E-09                                  ! [atm] type: E, ref: 588

! species:  dihydroxyacetone
! formula:  C_3H_6O_3
! trivial:  
! casrn:    96-26-4
! inchikey: RXKJFZQQPQGTFL-UHFFFAOYSA-N
Hvpx______96_26_4 =  3.0E-07                                  ! [atm] type: V, ref: 3088
Hvpx______96_26_4 =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx______96_26_4 =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx______96_26_4 =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  2-methoxyethanol
! formula:  C_3H_8O_2
! trivial:  methyl cellosolve
! casrn:    109-86-4
! inchikey: XNWFRZJHXBZDAG-UHFFFAOYSA-N
Hvpx_____109_86_4 =  1.3E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____109_86_4 =  2.5E+03 * EXP(    730.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____109_86_4 =  3.9E-02                                  ! [atm] type: M, ref: 3079
Hvpx_____109_86_4 =  1.5E-02 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: T, ref: 2381
Hvpx_____109_86_4 =  8.0E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_86_4 =  3.9E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_86_4 =  6.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_86_4 =  1.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_86_4 =  4.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____109_86_4 =  1.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_86_4 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_86_4 =  2.2E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_86_4 =  2.6E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_86_4 =  1.4E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_86_4 =  3.6E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____109_86_4 =  1.8E-02                                  ! [atm] type: ?, ref: 3586

! species:  4-oxobutanoic acid
! formula:  OHC(CH_2)_2COOH
! trivial:  
! casrn:    692-29-5
! inchikey: UIUJIQZEACWQSV-UHFFFAOYSA-N
Hvpx_____692_29_5 =  6.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____692_29_5 =  1.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_____692_29_5 =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____692_29_5 =  1.1E-02                                  ! [atm] type: E, ref: 588

! species:  2,3-dihydroxybutanedioic acid
! formula:  HOOCCHOHCHOHCOOH
! trivial:  tartaric acid
! casrn:    87-69-4
! inchikey: FEWJPZIEWOKRBE-JCYAYHJZSA-N
Hvpx______87_69_4 =  1.1E-16                                  ! [atm] type: L, ref: 3500
Hvpx______87_69_4 =  1.1E-16                                  ! [atm] type: L, ref: 3245
Hvpx______87_69_4 =  4.1E-14                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______87_69_4 =  1.1E-11                                  ! [atm] type: Q, ref: 3406
Hvpx______87_69_4 =  4.2E-14                                  ! [atm] type: Q, ref: 3579
Hvpx______87_69_4 =  5.5E-17                                  ! [atm] type: E, ref: 588

! species:  3-oxapentane-1,5-diol
! formula:  HO(CH_2)_2O(CH_2)_2OH
! trivial:  diethylene glycol
! casrn:    111-46-6
! inchikey: MTHSVFCYNBDYFN-UHFFFAOYSA-N
Hvpx_____111_46_6 =  1.7E-05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_46_6 =  1.7E-05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_46_6 =  6.1E-05                                  ! [atm] type: Q, ref: 3682
Hvpx_____111_46_6 =  2.2E-04                                  ! [atm] type: Q, ref: 3246
Hvpx_____111_46_6 =  3.4E-04                                  ! [atm] type: Q, ref: 3246
Hvpx_____111_46_6 =  3.2E-04                                  ! [atm] type: Q, ref: 3246
Hvpx_____111_46_6 =  1.1E-04                                  ! [atm] type: Q, ref: 3088
Hvpx_____111_46_6 =  7.1E-05                                  ! [atm] type: Q, ref: 3406
Hvpx_____111_46_6 =  1.5E-05                                  ! [atm] type: Q, ref: 3579
Hvpx_____111_46_6 =  2.2E-05                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_46_6 =  2.5E-05                                  ! [atm] type: Q, ref: 3731
Hvpx_____111_46_6 =  2.8E-08                                  ! [atm] type: E, ref: 588
Hvpx_____111_46_6 =  1.7E-05                                  ! [atm] type: ?, ref: 2440

! species:  hydroxybutanedioic acid
! formula:  HOOCCH_2CHOHCOOH
! trivial:  malic acid
! casrn:    6915-15-7
! inchikey: BJEPYKJPYRNKOW-UHFFFAOYSA-N
Hvpx____6915_15_7 =  2.0E-09                                  ! [atm] type: V, ref: 3022
Hvpx____6915_15_7 =  3.1E-10                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6915_15_7 =  4.6E-08                                  ! [atm] type: Q, ref: 3088
Hvpx____6915_15_7 =  1.0E-09                                  ! [atm] type: Q, ref: 3406
Hvpx____6915_15_7 =  3.8E-10                                  ! [atm] type: Q, ref: 3579
Hvpx____6915_15_7 =  2.8E-12                                  ! [atm] type: E, ref: 588

! species:  2-ethoxyethanol
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    110-80-5
! inchikey: ZNQVEEAIQZEUHB-UHFFFAOYSA-N
Hvpx_____110_80_5 =  6.1E-02                                  ! [atm] type: M, ref: 3079
Hvpx_____110_80_5 =  1.7E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____110_80_5 =  2.0E-02 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: T, ref: 2381
Hvpx_____110_80_5 =  6.0E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____110_80_5 =  9.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_80_5 =  7.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_80_5 =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_80_5 =  5.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____110_80_5 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_80_5 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_80_5 =  3.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____110_80_5 =  3.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_80_5 =  1.7E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_80_5 =  7.3E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____110_80_5 =  2.6E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____110_80_5 =  2.9E-02                                  ! [atm] type: ?, ref: 2440

! species:  2-methoxy-1-propanol
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    1589-47-5
! inchikey: YTTFFPATQICAQN-UHFFFAOYSA-N
Hvpx____1589_47_5 =  1.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  1,1-dimethoxyethane
! formula:  C_4H_{10}O_2
! trivial:  
! casrn:    534-15-6
! inchikey: SPEUIVXLLWOEMJ-UHFFFAOYSA-N
Hvpx_____534_15_6 =  3.7E+00                                  ! [atm] type: Q, ref: 3088

! species:  4-methylene-2-oxetanone
! formula:  C_4H_4O_2
! trivial:  acetyl ketene
! casrn:    674-82-8
! inchikey: WASQWSOJHCZDFK-UHFFFAOYSA-N
Hvpx_____674_82_8 =  3.4E+01                                  ! [atm] type: Q, ref: 3088

! species:  2(5H)-furanone
! formula:  C_4H_4O_2
! trivial:  
! casrn:    497-23-4
! inchikey: VIHAEDVKXSOUAT-UHFFFAOYSA-N
Hvpx_____497_23_4 =  1.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____497_23_4 =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____497_23_4 =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____497_23_4 =  5.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  2,2'-bioxirane
! formula:  C_4H_6O_2
! trivial:  
! casrn:    1464-53-5
! inchikey: ZFIVKAOQEXOYFY-UHFFFAOYSA-N
Hvpx____1464_53_5 =  2.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  $\gamma$-butyrolactone
! formula:  C_4H_6O_2
! trivial:  
! casrn:    96-48-0
! inchikey: YEJRWHAVMIAJKC-UHFFFAOYSA-N
Hvpx______96_48_0 =  2.9E-03                                  ! [atm] type: V, ref: 3586
Hvpx______96_48_0 =  2.9E-03                                  ! [atm] type: V, ref: 3088
Hvpx______96_48_0 =  8.4E-03                                  ! [atm] type: Q, ref: 3682
Hvpx______96_48_0 =  4.7E-01                                  ! [atm] type: Q, ref: 3586

! species:  ethyloxirane
! formula:  C_4H_8O
! trivial:  1,2-epoxybutane
! casrn:    106-88-7
! inchikey: RBACIKXCRWGCBB-UHFFFAOYSA-N
Hvpx_____106_88_7 =  1.0E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____106_88_7 =  1.0E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____106_88_7 =  8.0E+00                                  ! [atm] type: Q, ref: 3586

! species:  2,3-epoxy-2-methyl-1,4-butanediol
! formula:  C_5H_{10}O_3
! trivial:  IEPOX
! casrn:    UNKNOWN
! inchikey: FLVAIUDBQNOKHB-UHFFFAOYSA-N
Hvpx_FLVAIUDBQNOKHB_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FLVAIUDBQNOKHB_UHFFFAOYSA_N =  4.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FLVAIUDBQNOKHB_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FLVAIUDBQNOKHB_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3583
Hvpx_FLVAIUDBQNOKHB_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3580
Hvpx_FLVAIUDBQNOKHB_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: E, ref: 3582
Hvpx_FLVAIUDBQNOKHB_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: ?, ref: 3581

! species:  MEDICO1CO
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RRXXDUUNVWXRFN-UHFFFAOYSA-N
Hvpx_RRXXDUUNVWXRFN_UHFFFAOYSA_N =  2.2E-08 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  MEDICO4CO
! formula:  C_5H_8O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GXKSWJOBVXKANI-UHFFFAOYSA-N
Hvpx_GXKSWJOBVXKANI_UHFFFAOYSA_N =  1.8E-07 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  METRICO
! formula:  C_5H_{10}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LCGBCDAYKOJPSO-UHFFFAOYSA-N
Hvpx_LCGBCDAYKOJPSO_UHFFFAOYSA_N =  7.5E-08 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  2,3-epoxy-6-oxo-heptenal
! formula:  C_7H_8O_3
! trivial:  MCM:TLEPOXMUC
! casrn:    UNKNOWN
! inchikey: YHZQHUOBDYTWMQ-UHFFFAOYSA-N
Hvpx_YHZQHUOBDYTWMQ_UHFFFAOYSA_N =  5.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YHZQHUOBDYTWMQ_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YHZQHUOBDYTWMQ_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YHZQHUOBDYTWMQ_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3098

! species:  3-hydroxy-2-butanone
! formula:  C_4H_8O_2
! trivial:  acetoin
! casrn:    513-86-0
! inchikey: ROWKJAVDOGWPAT-UHFFFAOYSA-N
Hvpx_____513_86_0 =  1.7E-01                                  ! [atm] type: M, ref: 3776
Hvpx_____513_86_0 =  9.6E-01                                  ! [atm] type: M, ref: 1937
Hvpx_____513_86_0 =  7.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____513_86_0 =  5.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____513_86_0 =  4.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____513_86_0 =  5.5E-01                                  ! [atm] type: Q, ref: 3088

! species:  2-(vinyloxy)ethanol
! formula:  C_4H_8O_2
! trivial:  ethylene glycol monovinyl ether
! casrn:    764-48-7
! inchikey: VUIWJRYTWUGOOF-UHFFFAOYSA-N
Hvpx_____764_48_7 =  1.4E-02                                  ! [atm] type: Q, ref: 3088

! species:  2-methyloxetane
! formula:  C_4H_8O
! trivial:  
! casrn:    2167-39-7
! inchikey: FZIIBDOXPQOKBP-UHFFFAOYSA-N
Hvpx____2167_39_7 =  4.6E+00                                  ! [atm] type: Q, ref: 3088

! species:  5-oxopentanoic acid
! formula:  OHC(CH_2)_3COOH
! trivial:  
! casrn:    5746-02-1
! inchikey: VBKPPDYGFUZOAJ-UHFFFAOYSA-N
Hvpx____5746_02_1 =  1.4E-02                                  ! [atm] type: E, ref: 588

! species:  2-oxopentanedioic acid
! formula:  HOOC(CH_2)_2COCOOH
! trivial:  $\alpha$-keto glutaric acid
! casrn:    328-50-7
! inchikey: KPGXRSRHYNQIFN-UHFFFAOYSA-N
Hvpx_____328_50_7 =  5.5E-08                                  ! [atm] type: E, ref: 588

! species:  tetrahydro-2-furanmethanol
! formula:  C_5H_{10}O_2
! trivial:  tetrahydrofurfuryl alcohol
! casrn:    97-99-4
! inchikey: BSYVTEYKTMYBMK-UHFFFAOYSA-N
Hvpx______97_99_4 =  1.2E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______97_99_4 =  3.2E-03                                  ! [atm] type: Q, ref: 3682
Hvpx______97_99_4 =  2.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  xylose
! formula:  C_5H_{10}O_5
! trivial:  
! casrn:    58-86-6
! inchikey: PYMYPHUHKUWMLA-VPENINKCSA-N
Hvpx______58_86_6 =  6.6E-05                                  ! [atm] type: Q, ref: 3088

! species:  2-(2-methoxyethoxy)ethanol
! formula:  C_5H_{12}O_3
! trivial:  diethylene glycol monomethyl ether
! casrn:    111-77-3
! inchikey: SBASXUCJHJRPEV-UHFFFAOYSA-N
Hvpx_____111_77_3 =  8.9E-07                                  ! [atm] type: Q, ref: 3088

! species:  3,6-dioxaoctane-1,8-diol
! formula:  HO(CH_2CH_2O)_3H
! trivial:  triethylene glycol
! casrn:    112-27-6
! inchikey: ZIBGPFATKBEMQZ-UHFFFAOYSA-N
Hvpx_____112_27_6 =  5.0E-05                                  ! [atm] type: Q, ref: 3246
Hvpx_____112_27_6 =  9.3E-05                                  ! [atm] type: Q, ref: 3246
Hvpx_____112_27_6 =  8.2E-05                                  ! [atm] type: Q, ref: 3246
Hvpx_____112_27_6 =  1.8E-06                                  ! [atm] type: Q, ref: 3088
Hvpx_____112_27_6 =  6.1E-11                                  ! [atm] type: E, ref: 588

! species:  2-oxepanone
! formula:  C_6H_{10}O_2
! trivial:  caprolactone
! casrn:    502-44-3
! inchikey: PAPBSGBWRJIAAV-UHFFFAOYSA-N
Hvpx_____502_44_3 =  1.0E+01                                  ! [atm] type: Q, ref: 3088

! species:  glycidyl ether
! formula:  C_6H_{10}O_3
! trivial:  diglycidyl ether
! casrn:    2238-07-5
! inchikey: GYZLOYUZLJXAJU-UHFFFAOYSA-N
Hvpx____2238_07_5 =  7.2E-04                                  ! [atm] type: Q, ref: 3088

! species:  4-hydroxy-4-methyl-2-pentanone
! formula:  C_6H_{12}O_2
! trivial:  diacetone alcohol
! casrn:    123-42-2
! inchikey: SWXVUIWOUIDPGS-UHFFFAOYSA-N
Hvpx_____123_42_2 =  1.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____123_42_2 =  4.2E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____123_42_2 =  1.8E-03                                  ! [atm] type: Q, ref: 3682
Hvpx_____123_42_2 =  7.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_42_2 =  7.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_42_2 =  6.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_42_2 =  8.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____123_42_2 =  2.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  1-propoxy-2-propanol
! formula:  C_6H_{14}O_2
! trivial:  
! casrn:    1569-01-3
! inchikey: FENFUOGYJVOCRY-UHFFFAOYSA-N
Hvpx____1569_01_3 =  1.9E-03                                  ! [atm] type: Q, ref: 3088

! species:  2-(2-ethoxyethoxy)ethanol
! formula:  C_6H_{14}O_3
! trivial:  diethylene glycol monoethyl ether
! casrn:    111-90-0
! inchikey: XXJWXESWEXIICW-UHFFFAOYSA-N
Hvpx_____111_90_0 =  1.2E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____111_90_0 =  1.2E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____111_90_0 =  6.1E-04                                  ! [atm] type: Q, ref: 3682
Hvpx_____111_90_0 =  8.6E-03                                  ! [atm] type: Q, ref: 3586

! species:  2,5,8-trioxanonane
! formula:  C_6H_{14}O_3
! trivial:  diglyme
! casrn:    111-96-6
! inchikey: SBZXBUIDTXKZTM-UHFFFAOYSA-N
Hvpx_____111_96_6 =  2.9E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____111_96_6 =  2.9E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____111_96_6 =  8.8E-02                                  ! [atm] type: Q, ref: 3586

! species:  oxydipropanol
! formula:  C_6H_{14}O_3
! trivial:  dipropylene glycol
! casrn:    25265-71-8
! inchikey: SZXQTJUDPRGNJN-UHFFFAOYSA-N
Hvpx___25265_71_8 =  3.1E-04                                  ! [atm] type: V, ref: 3088

! species:  $p$-benzoquinone
! formula:  C_6H_4O_2
! trivial:  1,4-benzoquinone
! casrn:    106-51-4
! inchikey: AZQWKYJCGOJGHM-UHFFFAOYSA-N
Hvpx_____106_51_4 =  2.7E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____106_51_4 =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_51_4 =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_51_4 =  2.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_51_4 =  2.6E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_51_4 =  7.1E-02                                  ! [atm] type: Q, ref: 3764

! species:  5-hydroxymethylfurfural
! formula:  C_6H_6O_3
! trivial:  5-hydroxymethyl-2-furfuraldehyde
! casrn:    67-47-0
! inchikey: NOEGNKMFWQHSLB-UHFFFAOYSA-N
Hvpx______67_47_0 =  3.0E-05                                  ! [atm] type: Q, ref: 3088

! species:  5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
! formula:  C_6H_6O_4
! trivial:  kojic acid
! casrn:    501-30-4
! inchikey: BEJNERDRQOWKJM-UHFFFAOYSA-N
Hvpx_____501_30_4 =  1.3E-02                                  ! [atm] type: Q, ref: 3088

! species:  2-hydroxy-1,2,3-propanetricarboxylic acid
! formula:  C_6H_8O_7
! trivial:  citric acid
! casrn:    77-92-9
! inchikey: KRKNYBCHXYNGOX-UHFFFAOYSA-N
Hvpx______77_92_9 =  1.8E-16                                  ! [atm] type: L, ref: 3500
Hvpx______77_92_9 =  1.8E-16                                  ! [atm] type: L, ref: 3245
Hvpx______77_92_9 =  7.2E-14                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______77_92_9 =  1.1E-12                                  ! [atm] type: Q, ref: 3406
Hvpx______77_92_9 =  6.9E-14                                  ! [atm] type: Q, ref: 3579
Hvpx______77_92_9 =  1.8E-17                                  ! [atm] type: E, ref: 588

! species:  (butoxymethyl)oxirane
! formula:  C_7H_{14}O_2
! trivial:  n-butyl glycidyl ether
! casrn:    2426-08-6
! inchikey: YSUQLAYJZDEMOT-UHFFFAOYSA-N
Hvpx____2426_08_6 =  1.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx____2426_08_6 =  1.4E+00                                  ! [atm] type: V, ref: 3088
Hvpx____2426_08_6 =  6.2E-01                                  ! [atm] type: Q, ref: 3586

! species:  1-(1,1-dimethylethoxy)-2-propanol
! formula:  C_7H_{16}O_2
! trivial:  propylene glycol mono-t-butyl ether
! casrn:    57018-52-7
! inchikey: GQCZPFJGIXHZMB-UHFFFAOYSA-N
Hvpx___57018_52_7 =  2.6E-01                                  ! [atm] type: V, ref: 3088

! species:  2-[2-(2-methoxyethoxy)ethoxy]ethanol
! formula:  C_7H_{16}O_4
! trivial:  triethylene glycol monomethyl ether
! casrn:    112-35-6
! inchikey: JLGLQAWTXXGVEM-UHFFFAOYSA-N
Hvpx_____112_35_6 =  1.9E-09                                  ! [atm] type: Q, ref: 3088

! species:  2-methyl-$p$-benzoquinone
! formula:  C_7H_6O_2
! trivial:  
! casrn:    553-97-9
! inchikey: VTWDKFNVVLAELH-UHFFFAOYSA-N
Hvpx_____553_97_9 =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____553_97_9 =  7.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____553_97_9 =  2.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____553_97_9 =  1.1E-04                                  ! [atm] type: Q, ref: 3088

! species:  patulin
! formula:  C_7H_6O_4
! trivial:  
! casrn:    149-29-1
! inchikey: ZRWPUFFVAOMMNM-UHFFFAOYSA-N
Hvpx_____149_29_1 =  6.1E-06                                  ! [atm] type: Q, ref: 3088

! species:  1-hydroxy-3-methoxybenzene
! formula:  C_7H_8O_2
! trivial:  3-methoxyphenol
! casrn:    150-19-6
! inchikey: ASHGTJPOSUFTGB-UHFFFAOYSA-N
Hvpx_____150_19_6 =  3.2E-03                                  ! [atm] type: R, ref: 1501
Hvpx_____150_19_6 =  3.2E-03                                  ! [atm] type: Q, ref: 3730
Hvpx_____150_19_6 =  1.2E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____150_19_6 =  2.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____150_19_6 =  2.2E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____150_19_6 =  1.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____150_19_6 =  4.3E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____150_19_6 =  8.5E-03                                  ! [atm] type: Q, ref: 2530
Hvpx_____150_19_6 =  1.1E-03                                  ! [atm] type: Q, ref: 984
Hvpx_____150_19_6 =  3.2E-03                                  ! [atm] type: ?, ref: 3586

! species:  mequinol
! formula:  C_7H_8O_2
! trivial:  4-methoxyphenol
! casrn:    150-76-5
! inchikey: NWVVVBRKAWDGAB-UHFFFAOYSA-N
Hvpx_____150_76_5 =  7.9E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____150_76_5 =  2.9E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____150_76_5 =  8.0E-01                                  ! [atm] type: Q, ref: 3579
Hvpx_____150_76_5 =  2.7E-01                                  ! [atm] type: ?, ref: 2440

! species:  1-hydroxy-2-methoxybenzene
! formula:  C_7H_8O_2
! trivial:  guaiacol; 2-methoxyphenol
! casrn:    90-05-1
! inchikey: LHGVFZTZFXWLCP-UHFFFAOYSA-N
Hvpx______90_05_1 =  6.3E-02                                  ! [atm] type: M, ref: 3723
Hvpx______90_05_1 =  6.1E-02 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3215
Hvpx______90_05_1 =  7.1E-02                                  ! [atm] type: M, ref: 1142
Hvpx______90_05_1 =  6.0E-02 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1142
Hvpx______90_05_1 =  5.7E-02                                  ! [atm] type: V, ref: 2613
Hvpx______90_05_1 =  7.1E-02                                  ! [atm] type: V, ref: 1142
Hvpx______90_05_1 =  1.3E-02                                  ! [atm] type: V, ref: 1068
Hvpx______90_05_1 =  1.1E-01                                  ! [atm] type: R, ref: 1501
Hvpx______90_05_1 =  4.8E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______90_05_1 =  9.8E-01                                  ! [atm] type: Q, ref: 3521
Hvpx______90_05_1 =  6.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______90_05_1 =  6.6E-02                                  ! [atm] type: Q, ref: 3723
Hvpx______90_05_1 =  1.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______90_05_1 =  7.1E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______90_05_1 =  4.6E-02                                  ! [atm] type: Q, ref: 2543
Hvpx______90_05_1 =  8.5E-03                                  ! [atm] type: Q, ref: 3764
Hvpx______90_05_1 =  1.1E-03                                  ! [atm] type: Q, ref: 984
Hvpx______90_05_1 =  6.6E-02                                  ! [atm] type: ?, ref: 3586
Hvpx______90_05_1 =  1.7E+00                                  ! [atm] type: ?, ref: 2440

! species:  1,4-dimethoxybenzene
! formula:  C_8H_{10}O_2
! trivial:  hydroquinone dimethyl ether
! casrn:    150-78-7
! inchikey: OHBQPCCCRFSCAX-UHFFFAOYSA-N
Hvpx_____150_78_7 =  1.9E+02                                  ! [atm] type: Q, ref: 3088

! species:  4-methyl-2-methoxyphenol
! formula:  C_8H_{10}O_2
! trivial:  
! casrn:    93-51-6
! inchikey: PETRWTHZSKVLRE-UHFFFAOYSA-N
Hvpx______93_51_6 =  7.1E-02                                  ! [atm] type: M, ref: 1142
Hvpx______93_51_6 =  7.6E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1142
Hvpx______93_51_6 =  5.2E-02                                  ! [atm] type: V, ref: 1142
Hvpx______93_51_6 =  3.5E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______93_51_6 =  1.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______93_51_6 =  1.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______93_51_6 =  1.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______93_51_6 =  2.2E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______93_51_6 =  1.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______93_51_6 =  2.2E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______93_51_6 =  7.4E-02                                  ! [atm] type: Q, ref: 2535
Hvpx______93_51_6 =  8.7E-03                                  ! [atm] type: Q, ref: 3764
Hvpx______93_51_6 =  7.4E-02                                  ! [atm] type: ?, ref: 3586

! species:  tyrosol
! formula:  C_8H_{10}O_2
! trivial:  4-hydroxybenzeneethanol
! casrn:    501-94-0
! inchikey: YCCILVSKPBXVIP-UHFFFAOYSA-N
Hvpx_____501_94_0 =  1.6E-06                                  ! [atm] type: Q, ref: 3723

! species:  1,3-dimethoxy-2-hydroxybenzene
! formula:  C_8H_{10}O_3
! trivial:  2,6-dimethoxyphenol
! casrn:    91-10-1
! inchikey: KLIDCXVFHGNTTM-UHFFFAOYSA-N
Hvpx______91_10_1 =  1.5E-02                                  ! [atm] type: M, ref: 1142
Hvpx______91_10_1 =  1.1E-02 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1142
Hvpx______91_10_1 =  4.4E-03                                  ! [atm] type: V, ref: 1142
Hvpx______91_10_1 =  3.5E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______91_10_1 =  4.4E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______91_10_1 =  7.0E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______91_10_1 =  1.1E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______91_10_1 =  1.1E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______91_10_1 =  1.6E-03                                  ! [atm] type: Q, ref: 2521
Hvpx______91_10_1 =  4.8E-03                                  ! [atm] type: Q, ref: 2530
Hvpx______91_10_1 =  1.3E-02                                  ! [atm] type: ?, ref: 3586

! species:  hexahydro-1,3-isobenzofurandione
! formula:  C_8H_{10}O_3
! trivial:  hexahydrophthalic anhydride
! casrn:    85-42-7
! inchikey: MUTGBJKUEZFXGO-UHFFFAOYSA-N
Hvpx______85_42_7 =  1.2E+00                                  ! [atm] type: Q, ref: 3088

! species:  vanillyl alcohol
! formula:  C_8H_{10}O_3
! trivial:  
! casrn:    498-00-0
! inchikey: ZENOXNGFMSCLLL-UHFFFAOYSA-N
Hvpx_____498_00_0 =  5.7E-06                                  ! [atm] type: M, ref: 3723
Hvpx_____498_00_0 =  2.7E-06                                  ! [atm] type: Q, ref: 3723

! species:  1-methoxy-4-methylbenzene
! formula:  C_8H_{10}O
! trivial:  
! casrn:    104-93-8
! inchikey: CHLICZRVGGXEOD-UHFFFAOYSA-N
Hvpx_____104_93_8 =  2.6E+02                                  ! [atm] type: Q, ref: 3088

! species:  dimethoxane
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    828-00-2
! inchikey: PHMNXPYGVPEQSJ-UHFFFAOYSA-N
Hvpx_____828_00_2 =  6.9E-03                                  ! [atm] type: Q, ref: 3088

! species:  RO5R5
! formula:  C_8H_{14}O_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MESHXYGXEHAFFE-UHFFFAOYSA-N
Hvpx_MESHXYGXEHAFFE_UHFFFAOYSA_N =  4.3E-06 * EXP( -17000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  5-hydroxy-2-octanone
! formula:  C_8H_{16}O_2
! trivial:  C82CO5OH
! casrn:    UNKNOWN
! inchikey: KZPPEBIAPHLFQD-UHFFFAOYSA-N
Hvpx_KZPPEBIAPHLFQD_UHFFFAOYSA_N =  3.5E-04 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  metaldehyde
! formula:  C_8H_{16}O_4
! trivial:  
! casrn:    108-62-3
! inchikey: GKKDCARASOJPNG-UHFFFAOYSA-N
Hvpx_____108_62_3 =  2.9E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____108_62_3 =  1.9E+00                                  ! [atm] type: ?, ref: 3549

! species:  diethyl carbitol
! formula:  C_8H_{18}O_3
! trivial:  diethylene glycol diethyl ether
! casrn:    112-36-7
! inchikey: RRQYJINTUHWNHW-UHFFFAOYSA-N
Hvpx_____112_36_7 =  6.1E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____112_36_7 =  6.1E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____112_36_7 =  5.7E-01                                  ! [atm] type: Q, ref: 3586

! species:  2-[2-(2-ethoxyethoxy)ethoxy]ethanol
! formula:  C_8H_{18}O_4
! trivial:  triethylene glycol monoethyl ether
! casrn:    112-50-5
! inchikey: WFSMVVDJSNMRAR-UHFFFAOYSA-N
Hvpx_____112_50_5 =  2.7E-09                                  ! [atm] type: Q, ref: 3088

! species:  tetraethylene glycol
! formula:  C_8H_{18}O_5
! trivial:  
! casrn:    112-60-7
! inchikey: UWHCKJMYHZGTIT-UHFFFAOYSA-N
Hvpx_____112_60_7 =  3.0E-14                                  ! [atm] type: Q, ref: 3088

! species:  vanillin
! formula:  C_8H_8O_3
! trivial:  
! casrn:    121-33-5
! inchikey: MWOOGOJBHIARFG-UHFFFAOYSA-N
Hvpx_____121_33_5 =  3.2E-04 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____121_33_5 =  1.2E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____121_33_5 =  1.2E-04                                  ! [atm] type: V, ref: 3088
Hvpx_____121_33_5 =  4.2E-04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____121_33_5 =  4.2E-04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____121_33_5 =  3.1E-04                                  ! [atm] type: Q, ref: 3682
Hvpx_____121_33_5 =  3.1E-04                                  ! [atm] type: Q, ref: 3682
Hvpx_____121_33_5 =  3.1E-04                                  ! [atm] type: Q, ref: 3521
Hvpx_____121_33_5 =  1.4E-04                                  ! [atm] type: Q, ref: 3586
Hvpx_____121_33_5 =  1.9E-03                                  ! [atm] type: Q, ref: 3406
Hvpx_____121_33_5 =  1.1E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____121_33_5 =  1.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____121_33_5 =  4.4E-06                                  ! [atm] type: Q, ref: 2546
Hvpx_____121_33_5 =  4.2E-04                                  ! [atm] type: Q, ref: 3579

! species:  ethylparaben
! formula:  C_9H_{10}O_3
! trivial:  
! casrn:    120-47-8
! inchikey: NUVBSKCKDOMJSU-UHFFFAOYSA-N
Hvpx_____120_47_8 =  2.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  ethyl vanillin
! formula:  C_9H_{10}O_3
! trivial:  
! casrn:    121-32-4
! inchikey: CBOQJANXLMLOSS-UHFFFAOYSA-N
Hvpx_____121_32_4 =  4.5E-05                                  ! [atm] type: V, ref: 3088

! species:  1-phenoxypropan-2-ol
! formula:  C_9H_{12}O_2
! trivial:  propylene glycol phenyl ether
! casrn:    770-35-4
! inchikey: IBLKWZIFZMJLFL-UHFFFAOYSA-N
Hvpx_____770_35_4 =  1.6E-03                                  ! [atm] type: V, ref: 3088

! species:  triacetin
! formula:  C_9H_{14}O_6
! trivial:  
! casrn:    102-76-1
! inchikey: URAYPUMNDPQOKB-UHFFFAOYSA-N
Hvpx_____102_76_1 =  6.8E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____102_76_1 =  6.6E-04                                  ! [atm] type: V, ref: 3088
Hvpx_____102_76_1 =  2.0E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____102_76_1 =  2.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____102_76_1 =  2.2E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____102_76_1 =  8.8E-05                                  ! [atm] type: Q, ref: 2546

! species:  tripropylene glycol
! formula:  C_9H_{20}O_4
! trivial:  
! casrn:    24800-44-0
! inchikey: LCZVSXRMYJUNFX-UHFFFAOYSA-N
Hvpx___24800_44_0 =  1.8E-10                                  ! [atm] type: Q, ref: 3088

! species:  coumarin
! formula:  C_9H_6O_2
! trivial:  
! casrn:    91-64-5
! inchikey: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Hvpx______91_64_5 =  5.5E-03                                  ! [atm] type: V, ref: 3586
Hvpx______91_64_5 =  5.5E-03                                  ! [atm] type: V, ref: 3088
Hvpx______91_64_5 =  4.3E-03                                  ! [atm] type: Q, ref: 3682
Hvpx______91_64_5 =  1.1E-01                                  ! [atm] type: Q, ref: 3586

! species:  4-ethylguaiacol
! formula:  C_9H_{12}O_2
! trivial:  4-ethyl-2-methoxyphenol
! casrn:    2785-89-9
! inchikey: CHWNEIVBYREQRF-UHFFFAOYSA-N
Hvpx____2785_89_9 =  9.9E-02                                  ! [atm] type: Q, ref: 3723

! species:  4-methylsyringol
! formula:  C_9H_{12}O_3
! trivial:  
! casrn:    6638-05-7
! inchikey: ZFBNNSOJNZBLLS-UHFFFAOYSA-N
Hvpx____6638_05_7 =  1.4E-02                                  ! [atm] type: Q, ref: 3723

! species:  acetovanillone
! formula:  C_9H_{10}O_3
! trivial:  apocynin
! casrn:    498-02-2
! inchikey: DFYRUELUNQRZTB-UHFFFAOYSA-N
Hvpx_____498_02_2 =  8.6E-05                                  ! [atm] type: Q, ref: 3723

! species:  syringaldehyde
! formula:  C_9H_{10}O_4
! trivial:  
! casrn:    134-96-3
! inchikey: KCDXJAYRVLXPFO-UHFFFAOYSA-N
Hvpx_____134_96_3 =  1.5E-06                                  ! [atm] type: Q, ref: 3723

! species:  5-(1-propenyl)-1,3-benzodioxole
! formula:  C_{10}H_{10}O_2
! trivial:  isosafrole
! casrn:    120-58-1
! inchikey: VHVOLFRBFDOUSH-UHFFFAOYSA-N
Hvpx_____120_58_1 =  2.0E+03                                  ! [atm] type: Q, ref: 3088

! species:  safrole
! formula:  C_{10}H_{10}O_2
! trivial:  
! casrn:    94-59-7
! inchikey: ZMQAAUBTXCXRIC-UHFFFAOYSA-N
Hvpx______94_59_7 =  5.0E-01                                  ! [atm] type: Q, ref: 3088

! species:  5-propyl-1,3-benzodioxole
! formula:  C_{10}H_{12}O_2
! trivial:  dihydrosafrole
! casrn:    94-58-6
! inchikey: MYEIDJPOUKASEC-UHFFFAOYSA-N
Hvpx______94_58_6 =  6.6E-01                                  ! [atm] type: Q, ref: 3088

! species:  2-methoxy-4-(1-propenyl)phenol
! formula:  C_{10}H_{12}O_2
! trivial:  isoeugenol
! casrn:    97-54-1
! inchikey: BJIOGJUNALELMI-UHFFFAOYSA-N
Hvpx______97_54_1 =  2.0E-01                                  ! [atm] type: V, ref: 3088
Hvpx______97_54_1 =  3.3E-02                                  ! [atm] type: Q, ref: 3723

! species:  $p$-cresyl glycidyl ether
! formula:  C_{10}H_{12}O_2
! trivial:  
! casrn:    26447-14-3
! inchikey: CUFXMPWHOWYNSO-UHFFFAOYSA-N
Hvpx___26447_14_3 =  4.2E-02                                  ! [atm] type: Q, ref: 3088

! species:  4-(4-hydroxyphenyl)-2-butanone
! formula:  C_{10}H_{12}O_2
! trivial:  raspberry ketone
! casrn:    5471-51-2
! inchikey: NJGBTKGETPDVIK-UHFFFAOYSA-N
Hvpx____5471_51_2 =  3.0E-05                                  ! [atm] type: Q, ref: 3088

! species:  guaifenesin
! formula:  C_{10}H_{14}O_4
! trivial:  
! casrn:    93-14-1
! inchikey: HSRJKNPTNIJEKV-UHFFFAOYSA-N
Hvpx______93_14_1 =  2.4E-06                                  ! [atm] type: Q, ref: 3088

! species:  RO5R4O2H
! formula:  C_{10}H_{18}O_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: YORZXZYHORHTRW-UHFFFAOYSA-N
Hvpx_YORZXZYHORHTRW_UHFFFAOYSA_N =  1.5E-11 * EXP( -24000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  levomenthol
! formula:  C_{10}H_{20}O
! trivial:  $L$-menthol
! casrn:    2216-51-5
! inchikey: NOOLISFMXDJSKH-AEJSXWLSSA-N
Hvpx____2216_51_5 =  8.3E-01                                  ! [atm] type: Q, ref: 3088

! species:  diethylene glycol hexyl ether
! formula:  C_{10}H_{22}O_3
! trivial:  
! casrn:    112-59-4
! inchikey: GZMAAYIALGURDQ-UHFFFAOYSA-N
Hvpx_____112_59_4 =  9.6E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____112_59_4 =  9.4E-04                                  ! [atm] type: V, ref: 3088
Hvpx_____112_59_4 =  5.3E-03                                  ! [atm] type: Q, ref: 3586

! species:  2-[2-(2-butoxyethoxy)ethoxy]ethanol
! formula:  C_{10}H_{22}O_4
! trivial:  triethylene glycol monobutyl ether
! casrn:    143-22-6
! inchikey: COBPKKZHLDDMTB-UHFFFAOYSA-N
Hvpx_____143_22_6 =  5.3E-09                                  ! [atm] type: Q, ref: 3088

! species:  4-propylguaiacol
! formula:  C_{10}H_{14}O_2
! trivial:  2-methoxy-4-propylphenol
! casrn:    2785-87-7
! inchikey: PXIKRTCSSLJURC-UHFFFAOYSA-N
Hvpx____2785_87_7 =  1.3E-01                                  ! [atm] type: M, ref: 3723
Hvpx____2785_87_7 =  1.3E-01                                  ! [atm] type: Q, ref: 3723

! species:  vanillyl ethyl ether
! formula:  C_{10}H_{14}O_3
! trivial:  4-(ethoxymethyl)-2-methoxyphenol
! casrn:    13184-86-6
! inchikey: KOCVACNWDMSLBM-UHFFFAOYSA-N
Hvpx___13184_86_6 =  1.3E-03                                  ! [atm] type: M, ref: 3723
Hvpx___13184_86_6 =  1.1E-03                                  ! [atm] type: Q, ref: 3723

! species:  4-ethylsyringol
! formula:  C_{10}H_{14}O_3
! trivial:  
! casrn:    14059-92-8
! inchikey: PJWDIHUFLXQRFF-UHFFFAOYSA-N
Hvpx___14059_92_8 =  1.8E-02                                  ! [atm] type: Q, ref: 3723

! species:  guaiacylacetone
! formula:  C_{10}H_{12}O_3
! trivial:  1-(4-hydroxy-3-methoxyphenyl)-2-propanone
! casrn:    2503-46-0
! inchikey: LFVCJQWZGDLHSD-UHFFFAOYSA-N
Hvpx____2503_46_0 =  4.7E-05                                  ! [atm] type: M, ref: 3723
Hvpx____2503_46_0 =  4.9E-05                                  ! [atm] type: Q, ref: 3723

! species:  acetosyringone
! formula:  C_{10}H_{12}O_4
! trivial:  
! casrn:    2478-38-8
! inchikey: OJOBTAOGJIWAGB-UHFFFAOYSA-N
Hvpx____2478_38_8 =  1.1E-06                                  ! [atm] type: Q, ref: 3723

! species:  coniferylaldehyde
! formula:  C_{10}H_{10}O_3
! trivial:  
! casrn:    458-36-6
! inchikey: UCZOBXQKIUMJDZ-UHFFFAOYSA-N
Hvpx_____458_36_6 =  1.2E-05                                  ! [atm] type: Q, ref: 3723

! species:  4-methoxy-6-(2-propenyl)-1,3-benzodioxole
! formula:  C_{11}H_{12}O_3
! trivial:  myristicin
! casrn:    607-91-0
! inchikey: BNWJOHGLIBDBOB-UHFFFAOYSA-N
Hvpx_____607_91_0 =  3.0E-02                                  ! [atm] type: Q, ref: 3088

! species:  butylparaben
! formula:  C_{11}H_{14}O_3
! trivial:  
! casrn:    94-26-8
! inchikey: QFOHBWFCKVYLES-UHFFFAOYSA-N
Hvpx______94_26_8 =  4.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  2-{\it tert}-butyl-4-methoxyphenol
! formula:  C_{11}H_{16}O_2
! trivial:  butylated hydroxyanisole
! casrn:    25013-16-5
! inchikey: MRBKEAMVRSLQPH-UHFFFAOYSA-N
Hvpx___25013_16_5 =  6.5E-02                                  ! [atm] type: Q, ref: 3088

! species:  3-hydroxy-2-naphthalenecarboxylic acid
! formula:  C_{11}H_8O_3
! trivial:  
! casrn:    92-70-6
! inchikey: ALKYHXVLJMQRLQ-UHFFFAOYSA-N
Hvpx______92_70_6 =  7.7E-05                                  ! [atm] type: Q, ref: 3088
Hvpx______92_70_6 =  7.6E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______92_70_6 =  4.6E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______92_70_6 =  1.5E-06                                  ! [atm] type: Q, ref: 2995
Hvpx______92_70_6 =  6.6E-05                                  ! [atm] type: Q, ref: 2995

! species:  4-propylsyringol
! formula:  C_{11}H_{16}O_3
! trivial:  
! casrn:    6766-82-1
! inchikey: YHEWWEXPVKCVFY-UHFFFAOYSA-N
Hvpx____6766_82_1 =  2.5E-02                                  ! [atm] type: Q, ref: 3723

! species:  zingerone
! formula:  C_{11}H_{14}O_3
! trivial:  vanillylacetone
! casrn:    122-48-5
! inchikey: OJYLAHXKWMRDGS-UHFFFAOYSA-N
Hvpx_____122_48_5 =  4.5E-05                                  ! [atm] type: M, ref: 3723
Hvpx_____122_48_5 =  6.5E-05                                  ! [atm] type: Q, ref: 3723

! species:  allylsyringol
! formula:  C_{11}H_{14}O_3
! trivial:  
! casrn:    5438-54-0
! inchikey: IYIVYBWBUQPWAU-UHFFFAOYSA-N
Hvpx____5438_54_0 =  8.6E-04                                  ! [atm] type: Q, ref: 3723

! species:  4-propenylsyringol
! formula:  C_{11}H_{14}O_3
! trivial:  
! casrn:    6635-22-9
! inchikey: YFHOHYAUMDHSBX-UHFFFAOYSA-N
Hvpx____6635_22_9 =  5.0E-04                                  ! [atm] type: Q, ref: 3723

! species:  propionylsyringol
! formula:  C_{11}H_{14}O_4
! trivial:  
! casrn:    5650-43-1
! inchikey: CXCPJZXJNRBTGF-UHFFFAOYSA-N
Hvpx____5650_43_1 =  1.5E-06                                  ! [atm] type: Q, ref: 3723

! species:  sinapylaldehyde
! formula:  C_{11}H_{12}O_4
! trivial:  
! casrn:    4206-58-0
! inchikey: CDICDSOGTRCHMG-ONEGZZNKSA-N
Hvpx____4206_58_0 =  1.8E-07                                  ! [atm] type: Q, ref: 3723

! species:  arbutin
! formula:  C_{12}H_{16}O_7
! trivial:  
! casrn:    497-76-7
! inchikey: BJRNKVDFDLYUGJ-RMPHRYRLSA-N
Hvpx_____497_76_7 =  6.6E-15                                  ! [atm] type: Q, ref: 3088

! species:  butopyronoxyl
! formula:  C_{12}H_{18}O_4
! trivial:  indalone
! casrn:    532-34-3
! inchikey: OKIJSNGRQAOIGZ-UHFFFAOYSA-N
Hvpx_____532_34_3 =  2.6E-03                                  ! [atm] type: Q, ref: 3088

! species:  diethylene glycol bis(methacrylate)
! formula:  C_{12}H_{18}O_5
! trivial:  
! casrn:    2358-84-1
! inchikey: XFCMNSHQOZQILR-UHFFFAOYSA-N
Hvpx____2358_84_1 =  4.4E-05                                  ! [atm] type: Q, ref: 3088

! species:  dikegulac
! formula:  C_{12}H_{18}O_7
! trivial:  
! casrn:    18467-77-1
! inchikey: FWCBATIDXGJRMF-FLNNQWSLSA-N
Hvpx___18467_77_1 =  1.1E-11                                  ! [atm] type: Q, ref: 3088

! species:  propofol
! formula:  C_{12}H_{18}O
! trivial:  
! casrn:    2078-54-8
! inchikey: OLBCVFGFOZPWHH-UHFFFAOYSA-N
Hvpx____2078_54_8 =  1.2E-01                                  ! [atm] type: Q, ref: 3088

! species:  lactitol
! formula:  C_{12}H_{24}O_{11}
! trivial:  
! casrn:    585-86-4
! inchikey: VQHSOMBJVWLPSR-JVCRWLNRSA-N
Hvpx_____585_86_4 =  4.6E-17                                  ! [atm] type: Q, ref: 3088

! species:  maltitol
! formula:  C_{12}H_{24}O_{11}
! trivial:  
! casrn:    585-88-6
! inchikey: VQHSOMBJVWLPSR-WUJBLJFYSA-N
Hvpx_____585_88_6 =  2.3E-16                                  ! [atm] type: Q, ref: 3088

! species:  naphthalic anhydride
! formula:  C_{12}H_6O_3
! trivial:  
! casrn:    81-84-5
! inchikey: GRSMWKLPSNHDHA-UHFFFAOYSA-N
Hvpx______81_84_5 =  3.4E-02                                  ! [atm] type: Q, ref: 3088

! species:  methoxsalen
! formula:  C_{12}H_8O_4
! trivial:  8-methoxypsoralen
! casrn:    298-81-7
! inchikey: QXKHYNVANLEOEG-UHFFFAOYSA-N
Hvpx_____298_81_7 =  2.2E-03                                  ! [atm] type: Q, ref: 3088

! species:  syringylacetone
! formula:  C_{12}H_{16}O_4
! trivial:  
! casrn:    112468-41-4
! inchikey: NULBEPOZYDYWOV-UHFFFAOYSA-N
Hvpx__112468_41_4 =  4.5E-07                                  ! [atm] type: M, ref: 3723
Hvpx__112468_41_4 =  9.5E-06                                  ! [atm] type: Q, ref: 3723

! species:  butyrylsyringol
! formula:  C_{12}H_{16}O_4
! trivial:  
! casrn:    69271-91-6
! inchikey: QFHXMVPZYYMTCS-UHFFFAOYSA-N
Hvpx___69271_91_6 =  1.9E-06                                  ! [atm] type: Q, ref: 3723

! species:  bisphenol F
! formula:  C_{13}H_{12}O_2
! trivial:  
! casrn:    620-92-8
! inchikey: PXKLMJQFEQBVLD-UHFFFAOYSA-N
Hvpx_____620_92_8 =  2.9E-07                                  ! [atm] type: Q, ref: 3088

! species:  ibuprofen
! formula:  C_{13}H_{18}O_2
! trivial:  
! casrn:    15687-27-1
! inchikey: HEFNNWSXXWATRW-UHFFFAOYSA-N
Hvpx___15687_27_1 =  8.3E-03                                  ! [atm] type: V, ref: 3088
Hvpx___15687_27_1 =  2.7E-03                                  ! [atm] type: Q, ref: 3627

! species:  trinexapac-ethyl
! formula:  C_{13}H_{16}O_5
! trivial:  
! casrn:    95266-40-3
! inchikey: RVKCCVTVZORVGD-QXMHVHEDSA-N
Hvpx___95266_40_3 =  1.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx___95266_40_3 =  7.2E-07                                  ! [atm] type: Q, ref: 3586
Hvpx___95266_40_3 =  2.9E-04                                  ! [atm] type: ?, ref: 3549

! species:  benzoyl peroxide
! formula:  C_{14}H_{10}O_4
! trivial:  
! casrn:    94-36-0
! inchikey: OMPJBNCRMGITSC-UHFFFAOYSA-N
Hvpx______94_36_0 =  1.9E-01                                  ! [atm] type: Q, ref: 3088
Hvpx______94_36_0 =  2.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______94_36_0 =  5.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______94_36_0 =  1.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______94_36_0 =  1.3E-04                                  ! [atm] type: Q, ref: 2995

! species:  oxybenzone
! formula:  C_{14}H_{12}O_3
! trivial:  2-hydroxy-4-methoxybenzophenone
! casrn:    131-57-7
! inchikey: DXGLGDHPHMLXJC-UHFFFAOYSA-N
Hvpx_____131_57_7 =  8.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  resveratrol
! formula:  C_{14}H_{12}O_3
! trivial:  
! casrn:    501-36-0
! inchikey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Hvpx_____501_36_0 =  7.7E-12                                  ! [atm] type: Q, ref: 3088

! species:  pindone
! formula:  C_{14}H_{14}O_3
! trivial:  
! casrn:    83-26-1
! inchikey: RZKYEQDPDZUERB-UHFFFAOYSA-N
Hvpx______83_26_1 =  5.1E-07                                  ! [atm] type: Q, ref: 3088

! species:  1,1'-[oxybis(methylene)]bisbenzene
! formula:  C_{14}H_{14}O
! trivial:  dibenzyl ether
! casrn:    103-50-4
! inchikey: MHDVGSVTJDSBDK-UHFFFAOYSA-N
Hvpx_____103_50_4 =  3.7E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____103_50_4 =  1.5E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____103_50_4 =  1.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____103_50_4 =  4.6E-03                                  ! [atm] type: Q, ref: 3088
Hvpx_____103_50_4 =  1.5E-01                                  ! [atm] type: Q, ref: 2530

! species:  butanoic acid, 3,3-bis((1,1-dimethylethyl)dioxy)-, ethyl ester
! formula:  C_{14}H_{28}O_6
! trivial:  
! casrn:    55794-20-2
! inchikey: HARQWLDROVMFJE-UHFFFAOYSA-N
Hvpx___55794_20_2 =  1.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___55794_20_2 =  7.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___55794_20_2 =  4.2E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___55794_20_2 =  2.2E-03                                  ! [atm] type: Q, ref: 2995

! species:  1-hydroxy-9,10-anthracenedione
! formula:  C_{14}H_8O_3
! trivial:  1-hydroxyanthraquinone
! casrn:    129-43-1
! inchikey: BTLXPCBPYBNQNR-UHFFFAOYSA-N
Hvpx_____129_43_1 =  4.0E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____129_43_1 =  4.0E-04                                  ! [atm] type: V, ref: 3088
Hvpx_____129_43_1 =  1.6E-04                                  ! [atm] type: Q, ref: 3586

! species:  danthron
! formula:  C_{14}H_8O_4
! trivial:  1,8-dihydroxyanthraquinone
! casrn:    117-10-2
! inchikey: QBPFLULOKWLNNW-UHFFFAOYSA-N
Hvpx_____117_10_2 =  3.0E-06                                  ! [atm] type: Q, ref: 3088

! species:  bisphenol A
! formula:  C_{15}H_{16}O_2
! trivial:  
! casrn:    80-05-7
! inchikey: IISBACLAFKSPIT-UHFFFAOYSA-N
Hvpx______80_05_7 =  2.2E-06                                  ! [atm] type: V, ref: 3088

! species:  atractylenolide III
! formula:  C_{15}H_{20}O_3
! trivial:  
! casrn:    73030-71-4
! inchikey: FBMORZZOJSDNRQ-GLQYFDAESA-N
Hvpx___73030_71_4 =  5.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  deoxynivalenol
! formula:  C_{15}H_{20}O_6
! trivial:  
! casrn:    51481-10-8
! inchikey: LINOMUASTDIRTM-WHNKEALZSA-N
Hvpx___51481_10_8 =  1.1E-09                                  ! [atm] type: Q, ref: 3088

! species:  nivalenol
! formula:  C_{15}H_{20}O_7
! trivial:  
! casrn:    23282-20-4
! inchikey: UKOTXHQERFPCBU-UHFFFAOYSA-N
Hvpx___23282_20_4 =  4.0E-11                                  ! [atm] type: Q, ref: 3088

! species:  tributyrin
! formula:  C_{15}H_{26}O_6
! trivial:  
! casrn:    60-01-5
! inchikey: UYXTWWCETRIEDR-UHFFFAOYSA-N
Hvpx______60_01_5 =  5.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  diosmetin
! formula:  C_{16}H_{12}O_6
! trivial:  
! casrn:    520-34-3
! inchikey: MBNGWHIJMBWFHU-UHFFFAOYSA-N
Hvpx_____520_34_3 =  1.7E-13                                  ! [atm] type: Q, ref: 3088

! species:  shikonin
! formula:  C_{16}H_{16}O_5
! trivial:  
! casrn:    517-89-5
! inchikey: NEZONWMXZKDMKF-SNVBAGLBSA-N
Hvpx_____517_89_5 =  4.6E-10                                  ! [atm] type: Q, ref: 3088

! species:  2,2-bis(4-hydroxyphenyl)butane
! formula:  C_{16}H_{18}O_2
! trivial:  bisphenol B
! casrn:    77-40-7
! inchikey: HTVITOHKHWFJKO-UHFFFAOYSA-N
Hvpx______77_40_7 =  6.6E-07                                  ! [atm] type: Q, ref: 3088

! species:  ethyl 3,3-bis({\it tert}-amylperoxy)butyrate
! formula:  C_{16}H_{32}O_6
! trivial:  
! casrn:    67567-23-1
! inchikey: NICWAKGKDIAMOD-UHFFFAOYSA-N
Hvpx___67567_23_1 =  1.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___67567_23_1 =  1.5E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___67567_23_1 =  1.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___67567_23_1 =  3.7E-03                                  ! [atm] type: Q, ref: 2995

! species:  aflatoxin B1
! formula:  C_{17}H_{12}O_6
! trivial:  
! casrn:    1162-65-8
! inchikey: OQIQSTLJSLGHID-UHFFFAOYSA-N
Hvpx____1162_65_8 =  7.7E-09                                  ! [atm] type: Q, ref: 3088

! species:  aflatoxin G1
! formula:  C_{17}H_{12}O_7
! trivial:  
! casrn:    1165-39-5
! inchikey: XWIYFDMXXLINPU-UHFFFAOYSA-N
Hvpx____1165_39_5 =  2.8E-08                                  ! [atm] type: Q, ref: 3088

! species:  aflatoxin B2
! formula:  C_{17}H_{14}O_6
! trivial:  
! casrn:    7220-81-7
! inchikey: WWSYXEZEXMQWHT-UHFFFAOYSA-N
Hvpx____7220_81_7 =  1.7E-10                                  ! [atm] type: Q, ref: 3088

! species:  aflatoxin G2
! formula:  C_{17}H_{14}O_7
! trivial:  
! casrn:    7241-98-7
! inchikey: WPCVRWVBBXIRMA-UHFFFAOYSA-N
Hvpx____7241_98_7 =  6.1E-10                                  ! [atm] type: Q, ref: 3088

! species:  bisphenol C
! formula:  C_{17}H_{20}O_2
! trivial:  
! casrn:    79-97-0
! inchikey: YMTYZTXUZLQUSF-UHFFFAOYSA-N
Hvpx______79_97_0 =  6.1E-07                                  ! [atm] type: Q, ref: 3088

! species:  PR-toxin
! formula:  C_{17}H_{20}O_6
! trivial:  
! casrn:    56299-00-4
! inchikey: GSPFUBNBRPVALJ-VIEAGMIOSA-N
Hvpx___56299_00_4 =  3.5E-09                                  ! [atm] type: Q, ref: 3088

! species:  fusarenon X
! formula:  C_{17}H_{22}O_8
! trivial:  
! casrn:    23255-69-8
! inchikey: XGCUCFKWVIWWNW-UHFFFAOYSA-N
Hvpx___23255_69_8 =  2.7E-12                                  ! [atm] type: Q, ref: 3088

! species:  dihydrotanshinone I
! formula:  C_{18}H_{14}O_3
! trivial:  
! casrn:    87205-99-0
! inchikey: HARGZZNYNSYSGJ-JTQLQIEISA-N
Hvpx___87205_99_0 =  7.2E-06                                  ! [atm] type: Q, ref: 3088

! species:  diethylstilbestrol
! formula:  C_{18}H_{20}O_2
! trivial:  
! casrn:    56-53-1
! inchikey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
Hvpx______56_53_1 =  3.2E-03                                  ! [atm] type: Q, ref: 3088

! species:  laminarin
! formula:  C_{18}H_{32}O_{16}
! trivial:  
! casrn:    9008-22-4
! inchikey: DBTMGCOVALSLOR-AWHOAIGYSA-N
Hvpx____9008_22_4 =  1.9E-07                                  ! [atm] type: ?, ref: 3549

! species:  estrone
! formula:  C_{18}H_{22}O_2
! trivial:  
! casrn:    53-16-7
! inchikey: DNXHEGUUPJUMQT-UHFFFAOYSA-N
Hvpx______53_16_7 =  2.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  estradiol
! formula:  C_{18}H_{24}O_2
! trivial:  
! casrn:    50-28-2
! inchikey: VOXZDWNPVJITMN-AWDGRILASA-N
Hvpx______50_28_2 =  2.0E-06                                  ! [atm] type: Q, ref: 3088

! species:  estriol
! formula:  C_{18}H_{24}O_3
! trivial:  
! casrn:    50-27-1
! inchikey: PROQIPRRNZUXQM-PVGHXWSTSA-N
Hvpx______50_27_1 =  7.2E-08                                  ! [atm] type: Q, ref: 3088

! species:  nandrolone
! formula:  C_{18}H_{26}O_2
! trivial:  
! casrn:    434-22-0
! inchikey: NPAGDVCDWIYMMC-SVXFNXITSA-N
Hvpx_____434_22_0 =  1.5E-04                                  ! [atm] type: Q, ref: 3088

! species:  diofenolan
! formula:  C_{18}H_{20}O_4
! trivial:  
! casrn:    63837-33-2
! inchikey: ZDOOQPFIGYHZFV-UHFFFAOYSA-N
Hvpx___63837_33_2 =  3.7E-03                                  ! [atm] type: V, ref: 3586
Hvpx___63837_33_2 =  4.5E-04                                  ! [atm] type: Q, ref: 3586
Hvpx___63837_33_2 =  3.7E-03                                  ! [atm] type: ?, ref: 3087

! species:  dicumarol
! formula:  C_{19}H_{12}O_6
! trivial:  
! casrn:    66-76-2
! inchikey: DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Hvpx______66_76_2 =  7.7E-09                                  ! [atm] type: Q, ref: 3088

! species:  coumatetralyl
! formula:  C_{19}H_{16}O_3
! trivial:  
! casrn:    5836-29-3
! inchikey: ULSLJYXHZDTLQK-UHFFFAOYSA-N
Hvpx____5836_29_3 =  3.2E-09                                  ! [atm] type: V, ref: 3088

! species:  warfarin
! formula:  C_{19}H_{16}O_4
! trivial:  
! casrn:    81-81-2
! inchikey: PJVWKTKQMONHTI-UHFFFAOYSA-N
Hvpx______81_81_2 =  1.5E-05                                  ! [atm] type: V, ref: 3088
Hvpx______81_81_2 =  1.5E-03                                  ! [atm] type: V, ref: 2614

! species:  tanshinone II
! formula:  C_{19}H_{18}O_3
! trivial:  
! casrn:    568-72-9
! inchikey: HYXITZLLTYIPOF-UHFFFAOYSA-N
Hvpx_____568_72_9 =  2.8E-04                                  ! [atm] type: Q, ref: 3088

! species:  gibberellic acid
! formula:  C_{19}H_{22}O_6
! trivial:  
! casrn:    77-06-5
! inchikey: IXORZMNAPKEEDV-UHFFFAOYSA-N
Hvpx______77_06_5 =  8.9E-11                                  ! [atm] type: Q, ref: 3088
Hvpx______77_06_5 =  4.1E-07                                  ! [atm] type: ?, ref: 3549

! species:  prallethrin
! formula:  C_{19}H_{24}O_3
! trivial:  
! casrn:    23031-36-9
! inchikey: SMKRKQBMYOFFMU-UHFFFAOYSA-N
Hvpx___23031_36_9 =  8.9E-02                                  ! [atm] type: V, ref: 3088

! species:  testolactone
! formula:  C_{19}H_{24}O_3
! trivial:  
! casrn:    968-93-4
! inchikey: BPEWUONYVDABNZ-LHXSAFEUSA-N
Hvpx_____968_93_4 =  3.4E-03                                  ! [atm] type: Q, ref: 3088

! species:  androstenedione
! formula:  C_{19}H_{26}O_2
! trivial:  
! casrn:    63-05-8
! inchikey: AEMFNILZOJDQLW-JRCHKSGSSA-N
Hvpx______63_05_8 =  2.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  diacetoxyscirpenol
! formula:  C_{19}H_{26}O_7
! trivial:  
! casrn:    2270-40-8
! inchikey: AUGQEEXBDZWUJY-UHFFFAOYSA-N
Hvpx____2270_40_8 =  5.4E-12                                  ! [atm] type: Q, ref: 3088

! species:  testosterone
! formula:  C_{19}H_{28}O_2
! trivial:  
! casrn:    58-22-0
! inchikey: MUMGGOZAMZWBJJ-JZJKZLICSA-N
Hvpx______58_22_0 =  1.9E-04                                  ! [atm] type: Q, ref: 3088

! species:  5$\alpha$-androst-16-en-4-one
! formula:  C_{19}H_{28}O
! trivial:  androstenone
! casrn:    18339-16-7
! inchikey: HFVMLYAGWXSTQI-QYXZOKGRSA-N
Hvpx___18339_16_7 =  1.6E+01                                  ! [atm] type: M, ref: 2388

! species:  oxandrolone
! formula:  C_{19}H_{30}O_3
! trivial:  
! casrn:    53-39-4
! inchikey: QSLJIVKCVHQPLV-WPMSWULFSA-N
Hvpx______53_39_4 =  1.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  piperonyl butoxide
! formula:  C_{19}H_{30}O_5
! trivial:  
! casrn:    51-03-6
! inchikey: FIPWRIJSWJWJAI-UHFFFAOYSA-N
Hvpx______51_03_6 =  4.9E-06                                  ! [atm] type: Q, ref: 3088

! species:  methoprene
! formula:  C_{19}H_{34}O_3
! trivial:  
! casrn:    40596-69-8
! inchikey: NFGXHKASABOEEW-LDRANXPESA-N
Hvpx___40596_69_8 =  3.8E-01                                  ! [atm] type: V, ref: 3088

! species:  fluorescein
! formula:  C_{20}H_{12}O_5
! trivial:  
! casrn:    2321-07-5
! inchikey: GNBHRKFJIUUOQI-UHFFFAOYSA-N
Hvpx____2321_07_5 =  4.9E-12                                  ! [atm] type: Q, ref: 3088

! species:  phenolphthalein
! formula:  C_{20}H_{14}O_4
! trivial:  
! casrn:    77-09-8
! inchikey: KJFMBFZCATUALV-UHFFFAOYSA-N
Hvpx______77_09_8 =  5.0E-11                                  ! [atm] type: Q, ref: 3088

! species:  avobenzone
! formula:  C_{20}H_{22}O_3
! trivial:  
! casrn:    70356-09-1
! inchikey: XNEFYCZVKIDDMS-UHFFFAOYSA-N
Hvpx___70356_09_1 =  1.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  ethinyl estradiol
! formula:  C_{20}H_{24}O_2
! trivial:  
! casrn:    57-63-6
! inchikey: BFPYWIDHMRZLRN-UHFFFAOYSA-N
Hvpx______57_63_6 =  4.4E-07                                  ! [atm] type: Q, ref: 3088

! species:  norethynodrel
! formula:  C_{20}H_{26}O_2
! trivial:  
! casrn:    68-23-5
! inchikey: ICTXHFFSOAJUMG-CEVCPLMDSA-N
Hvpx______68_23_5 =  7.2E-05                                  ! [atm] type: Q, ref: 3088

! species:  norethindrone
! formula:  C_{20}H_{26}O
! trivial:  
! casrn:    68-22-4
! inchikey: VIKNJXKGJWUCNN-BROHZWGRSA-N
Hvpx______68_22_4 =  3.2E-05                                  ! [atm] type: Q, ref: 3088

! species:  methandrostenolone
! formula:  C_{20}H_{28}O_2
! trivial:  
! casrn:    72-63-9
! inchikey: XWALNWXLMVGSFR-NSDIEPNESA-N
Hvpx______72_63_9 =  1.2E-04                                  ! [atm] type: Q, ref: 3088

! species:  cinerin I
! formula:  C_{20}H_{28}O_3
! trivial:  
! casrn:    25402-06-6
! inchikey: FMTFEIJHMMQUJI-FPLPWBNLSA-N
Hvpx___25402_06_6 =  5.3E-02                                  ! [atm] type: Q, ref: 3088

! species:  17-methyltestosterone
! formula:  C_{20}H_{30}O_2
! trivial:  
! casrn:    58-18-4
! inchikey: GCKMFJBGXUYNAG-NSDIEPNESA-N
Hvpx______58_18_4 =  2.6E-04                                  ! [atm] type: Q, ref: 3088

! species:  drostanolone
! formula:  C_{20}H_{32}O_2
! trivial:  dromostanolone
! casrn:    58-19-5
! inchikey: IKXILDNPCZPPRV-UHFFFAOYSA-N
Hvpx______58_19_5 =  4.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  curcumin
! formula:  C_{21}H_{20}O_6
! trivial:  
! casrn:    458-37-7
! inchikey: VFLDPWHFBUODDF-FCXRPNKRSA-N
Hvpx_____458_37_7 =  3.9E-17                                  ! [atm] type: Q, ref: 3088

! species:  bisphenol A diglycidyl ether
! formula:  C_{21}H_{24}O_4
! trivial:  
! casrn:    1675-54-3
! inchikey: LCFVJGUPQDGYKZ-UHFFFAOYSA-N
Hvpx____1675_54_3 =  2.4E-06                                  ! [atm] type: Q, ref: 3088

! species:  mestranol
! formula:  C_{21}H_{26}O_2
! trivial:  
! casrn:    72-33-3
! inchikey: IMSSROKUHAOUJS-ALAWOQLPSA-N
Hvpx______72_33_3 =  2.5E-04                                  ! [atm] type: Q, ref: 3088

! species:  prednisone
! formula:  C_{21}H_{26}O_5
! trivial:  
! casrn:    53-03-2
! inchikey: XOFYZVNMUHMLCC-NUBBXXJJSA-N
Hvpx______53_03_2 =  1.5E-05                                  ! [atm] type: Q, ref: 3088

! species:  norgestrel
! formula:  C_{21}H_{28}O_2
! trivial:  
! casrn:    6533-00-2
! inchikey: WWYNJERNGUHSAO-ZUHHCLADSA-N
Hvpx____6533_00_2 =  4.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  levonorgestrel
! formula:  C_{21}H_{28}O_2
! trivial:  
! casrn:    797-63-7
! inchikey: WWYNJERNGUHSAO-XUDSTZEESA-N
Hvpx_____797_63_7 =  4.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  pyrethrin I
! formula:  C_{21}H_{28}O_3
! trivial:  
! casrn:    121-21-1
! inchikey: ROVGZAWFACYCSP-CMDGGOBGSA-N
Hvpx_____121_21_1 =  4.3E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____121_21_1 =  2.4E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____121_21_1 =  6.5E-01                                  ! [atm] type: Q, ref: 3586

! species:  cinerin II
! formula:  C_{21}H_{28}O_5
! trivial:  
! casrn:    121-20-0
! inchikey: SHCRDCOTRILILT-WOBDGSLYSA-N
Hvpx_____121_20_0 =  5.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  prednisolone
! formula:  C_{21}H_{28}O_5
! trivial:  
! casrn:    50-24-8
! inchikey: OIGNJSKKLXVSLS-UHFFFAOYSA-N
Hvpx______50_24_8 =  1.5E-03                                  ! [atm] type: Q, ref: 3088

! species:  dronabinol
! formula:  C_{21}H_{30}O_2
! trivial:  delta 9-tetrahydrocannabinol
! casrn:    1972-08-3
! inchikey: CYQFCXCEBYINGO-UHFFFAOYSA-N
Hvpx____1972_08_3 =  1.3E-02                                  ! [atm] type: Q, ref: 3088

! species:  progesterone
! formula:  C_{21}H_{30}O_2
! trivial:  
! casrn:    57-83-0
! inchikey: RJKFOVLPORLFTN-UHFFFAOYSA-N
Hvpx______57_83_0 =  3.6E-03                                  ! [atm] type: Q, ref: 3088

! species:  hydrocortisone
! formula:  C_{21}H_{30}O_5
! trivial:  
! casrn:    50-23-7
! inchikey: JYGXADMDTFJGBT-NDNUHCHRSA-N
Hvpx______50_23_7 =  3.2E-03                                  ! [atm] type: Q, ref: 3088

! species:  calusterone
! formula:  C_{21}H_{32}O_2
! trivial:  
! casrn:    17021-26-0
! inchikey: IVFYLRMMHVYGJH-UHFFFAOYSA-N
Hvpx___17021_26_0 =  3.4E-04                                  ! [atm] type: Q, ref: 3088

! species:  oxymetholone
! formula:  C_{21}H_{32}O_3
! trivial:  
! casrn:    434-07-1
! inchikey: ICMWWNHDUZJFDW-RCXBLOTCSA-N
Hvpx_____434_07_1 =  8.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  resmethrin
! formula:  C_{22}H_{26}O_3
! trivial:  
! casrn:    10453-86-8
! inchikey: VEMKTZHHVJILDY-UHFFFAOYSA-N
Hvpx___10453_86_8 =  1.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx___10453_86_8 =  7.2E-03                                  ! [atm] type: V, ref: 3088
Hvpx___10453_86_8 =  2.5E+00                                  ! [atm] type: Q, ref: 3586

! species:  pyrethrin II
! formula:  C_{22}H_{28}O_5
! trivial:  
! casrn:    121-29-9
! inchikey: VJFUPGQZSXIULQ-VKTMSVCMSA-N
Hvpx_____121_29_9 =  1.2E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____121_29_9 =  1.2E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____121_29_9 =  1.4E-03                                  ! [atm] type: Q, ref: 3586

! species:  methylprednisolone
! formula:  C_{22}H_{30}O_5
! trivial:  
! casrn:    83-43-2
! inchikey: VHRSUDSXCMQTMA-UHFFFAOYSA-N
Hvpx______83_43_2 =  2.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  medroxyprogesterone
! formula:  C_{22}H_{32}O_3
! trivial:  
! casrn:    520-85-4
! inchikey: FRQMUZJSZHZSGN-HBNHAYAOSA-N
Hvpx_____520_85_4 =  7.2E-04                                  ! [atm] type: Q, ref: 3088

! species:  dimethirimol
! formula:  C_{23}H_{24}O_5
! trivial:  
! casrn:    5221-53-4
! inchikey: VNKCZJKGJAEOCW-WXUKJITCSA-N
Hvpx____5221_53_4 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  rotenone
! formula:  C_{23}H_{22}O_6
! trivial:  
! casrn:    83-79-4
! inchikey: JUVIOZPCNVVQFO-UHFFFAOYSA-N
Hvpx______83_79_4 =  6.2E-09                                  ! [atm] type: Q, ref: 3088

! species:  phenothrin
! formula:  C_{23}H_{26}O_3
! trivial:  
! casrn:    26002-80-2
! inchikey: SBNFWQZLDJGRLK-UHFFFAOYSA-N
Hvpx___26002_80_2 =  3.8E-01                                  ! [atm] type: X, ref: macbean2012

! species:  spiromesifen
! formula:  C_{23}H_{30}O_4
! trivial:  
! casrn:    283594-90-1
! inchikey: GOLXNESZZPUPJE-UHFFFAOYSA-N
Hvpx__283594_90_1 =  3.1E+01                                  ! [atm] type: V, ref: 3088

! species:  digoxigenin
! formula:  C_{23}H_{34}O_5
! trivial:  
! casrn:    1672-46-4
! inchikey: SHIBSTMRCDJXLN-KCZCNTNESA-N
Hvpx____1672_46_4 =  1.3E-06                                  ! [atm] type: Q, ref: 3088

! species:  annatto
! formula:  C_{24}H_{28}O_4
! trivial:  
! casrn:    1393-63-1
! inchikey: ZVKOASAVGLETCT-LRRSNBNMSA-N
Hvpx____1393_63_1 =  3.5E-12                                  ! [atm] type: Q, ref: 3088

! species:  acequinocyl
! formula:  C_{24}H_{32}O_4
! trivial:  
! casrn:    57960-19-7
! inchikey: QDRXWCAVUNHOGA-UHFFFAOYSA-N
Hvpx___57960_19_7 =  5.4E-02                                  ! [atm] type: V, ref: 3088
Hvpx___57960_19_7 =  5.3E-02                                  ! [atm] type: ?, ref: 3549

! species:  T-2 mycotoxin
! formula:  C_{24}H_{34}O_9
! trivial:  
! casrn:    21259-20-1
! inchikey: SSHHYBPAMCLKRH-UHFFFAOYSA-N
Hvpx___21259_20_1 =  3.0E-13                                  ! [atm] type: Q, ref: 3088

! species:  milk thistle extract
! formula:  C_{25}H_{22}O_{10}
! trivial:  
! casrn:    84604-20-6
! inchikey: SEBFKMXJBCUCAI-VGHNRKBZSA-N
Hvpx___84604_20_6 =  8.9E-19                                  ! [atm] type: Q, ref: 3088

! species:  simvastatin
! formula:  C_{25}H_{38}O_5
! trivial:  
! casrn:    79902-63-9
! inchikey: RYMZZMVNJRMUDD-UHFFFAOYSA-N
Hvpx___79902_63_9 =  1.5E-05                                  ! [atm] type: Q, ref: 3088

! species:  calcitriol
! formula:  C_{27}H_{44}O_3
! trivial:  1,25-dihydroxycholecalciferol
! casrn:    32222-06-3
! inchikey: GMRQFYUYWCNGIN-NKMMMXOESA-N
Hvpx___32222_06_3 =  1.7E-02                                  ! [atm] type: Q, ref: 3088

! species:  paricalcitol
! formula:  C_{27}H_{44}O_3
! trivial:  
! casrn:    131918-61-1
! inchikey: BPKAHTKRCLCHEA-UBFJEZKGSA-N
Hvpx__131918_61_1 =  2.1E-02                                  ! [atm] type: Q, ref: 3088

! species:  cholecalciferol
! formula:  C_{27}H_{44}O
! trivial:  
! casrn:    67-97-0
! inchikey: QYSXJUFSXHHAJI-SMGPGMQOSA-N
Hvpx______67_97_0 =  1.3E+01                                  ! [atm] type: Q, ref: 3088

! species:  cholesterol
! formula:  C_{27}H_{46}O
! trivial:  
! casrn:    57-88-5
! inchikey: HVYWMOMLDIMFJA-VUDDDUNTSA-N
Hvpx______57_88_5 =  9.4E+00                                  ! [atm] type: Q, ref: 3088

! species:  ergosterol
! formula:  C_{28}H_{44}O
! trivial:  
! casrn:    57-87-4
! inchikey: DNVPQKQSNYMLRS-CVGROQQCSA-N
Hvpx______57_87_4 =  8.9E+00                                  ! [atm] type: Q, ref: 3088

! species:  dihydrotachysterol
! formula:  C_{28}H_{46}O
! trivial:  
! casrn:    67-96-9
! inchikey: DTSXXSAWQHPLEF-GFVAUXBKSA-N
Hvpx______67_96_9 =  2.0E+01                                  ! [atm] type: Q, ref: 3088

! species:  etoposide
! formula:  C_{29}H_{32}O_{13}
! trivial:  
! casrn:    33419-42-0
! inchikey: VJJPUSNTGOMMGY-KWGSHVRASA-N
Hvpx___33419_42_0 =  9.4E-26                                  ! [atm] type: Q, ref: 3088

! species:  stigmasterol
! formula:  C_{29}H_{48}O
! trivial:  
! casrn:    83-48-7
! inchikey: HCXVJBMSMIARIN-BASBAMEESA-N
Hvpx______83_48_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3088

! species:  pseudohypericin
! formula:  C_{30}H_{16}O_9
! trivial:  
! casrn:    55954-61-5
! inchikey: YXBUQQDFTYOHQI-UHFFFAOYSA-N
Hvpx___55954_61_5 =  1.0E-24                                  ! [atm] type: Q, ref: 3088

! species:  gossypol
! formula:  C_{30}H_{30}O_8
! trivial:  
! casrn:    303-45-7
! inchikey: QBKSWRVVCFFDOT-UHFFFAOYSA-N
Hvpx_____303_45_7 =  1.3E-23                                  ! [atm] type: Q, ref: 3088

! species:  maslinic acid
! formula:  C_{30}H_{48}O_4
! trivial:  
! casrn:    4373-41-5
! inchikey: MDZKJHQSJHYOHJ-LLICELPBSA-N
Hvpx____4373_41_5 =  1.9E-06                                  ! [atm] type: Q, ref: 3088

! species:  milbemectin
! formula:  C_{31}H_{44}O_7
! trivial:  
! casrn:    51596-10-2
! inchikey: ZLBGSRMUSVULIE-GSMJGMFJSA-N
Hvpx___51596_10_2 =  8.5E-04                                  ! [atm] type: ?, ref: 3549
Hvpx___51596_10_2 =  1.4E-03                                  ! [atm] type: ?, ref: 3549

! species:  difenacoum
! formula:  C_{31}H_{24}O_3
! trivial:  
! casrn:    56073-07-5
! inchikey: FVQITOLOYMWVFU-UHFFFAOYSA-N
Hvpx___56073_07_5 =  7.7E-08                                  ! [atm] type: Q, ref: 3088

! species:  nonoxynol 9
! formula:  C_{33}H_{60}O_{10}
! trivial:  
! casrn:    26571-11-9
! inchikey: FBWNMEQMRUMQSO-UHFFFAOYSA-N
Hvpx___26571_11_9 =  3.1E-17                                  ! [atm] type: Q, ref: 3088

! species:  azadirachtin
! formula:  C_{35}H_{44}O_{16}
! trivial:  
! casrn:    11141-17-6
! inchikey: FTNJWQUOZFUQQJ-GWTPYEAISA-N
Hvpx___11141_17_6 =  1.5E-20                                  ! [atm] type: V, ref: 3088

! species:  monensin
! formula:  C_{36}H_{62}O_{11}
! trivial:  
! casrn:    17090-79-8
! inchikey: GAOZTHIDHYLHMS-LXKLZWMJSA-N
Hvpx___17090_79_8 =  1.1E-19                                  ! [atm] type: Q, ref: 3088

! species:  gossyplure
! formula:  C_{36}H_{64}O_4
! trivial:  
! casrn:    50933-33-0
! inchikey: BXJHOKLLMOYSRQ-QOXWLJPHSA-N
Hvpx___50933_33_0 =  8.3E+00                                  ! [atm] type: V, ref: 3088

! species:  capsanthin
! formula:  C_{40}H_{56}O_3
! trivial:  
! casrn:    465-42-9
! inchikey: VYIRVAXUEZSDNC-RDJLEWNRSA-N
Hvpx_____465_42_9 =  1.6E-03                                  ! [atm] type: Q, ref: 3088

! species:  heptamaloxyloglucan
! formula:  C_{40}H_{70}O_{33}
! trivial:  
! casrn:    870721-81-6
! inchikey: RAUODYOTTYNEJP-RQESCVSBSA-N
Hvpx__870721_81_6 =  1.3E-14                                  ! [atm] type: ?, ref: 3549

! species:  digitoxin
! formula:  C_{41}H_{64}O_{13}
! trivial:  
! casrn:    71-63-6
! inchikey: WDJUZGPOPHTGOT-UCKSZOHFSA-N
Hvpx______71_63_6 =  7.2E-21                                  ! [atm] type: Q, ref: 3088

! species:  digoxin
! formula:  C_{41}H_{64}O_{14}
! trivial:  
! casrn:    20830-75-5
! inchikey: LTMHDMANZUZIPE-PUGKRICDSA-N
Hvpx___20830_75_5 =  2.6E-22                                  ! [atm] type: Q, ref: 3088

! species:  pyrethrum
! formula:  C_{43}H_{56}O_8
! trivial:  
! casrn:    8003-34-7
! inchikey: VXSIXFKKSNGRRO-YWUDCVDHSA-N
Hvpx____8003_34_7 =  3.7E-02                                  ! [atm] type: Q, ref: 3088
Hvpx____8003_34_7 =  3.9E-05                                  ! [atm] type: ?, ref: 3549
Hvpx____8003_34_7 =  4.3E-02                                  ! [atm] type: ?, ref: 3549

! species:  punicalagin
! formula:  C_{48}H_{28}O_{30}
! trivial:  
! casrn:    65995-63-3
! inchikey: SKNLUADAGHCXKF-UHFFFAOYSA-N
Hvpx___65995_63_3 =  1.0E-11                                  ! [atm] type: Q, ref: 3088

! species:  abamectin
! formula:  C_{48}H_{72}O_{14}
! trivial:  
! casrn:    71751-41-2
! inchikey: RRZXIRBKKLTSOM-IGNCFFBFSA-N
Hvpx___71751_41_2 =  7.7E-05                                  ! [atm] type: V, ref: 3088
Hvpx___71751_41_2 =  1.5E-03                                  ! [atm] type: ?, ref: 3549

! species:  notoginsenoside R1
! formula:  C_{48}H_{84}O_{18}
! trivial:  
! casrn:    80418-24-2
! inchikey: ZBXDHDDTAIOMHK-UWGJVBKGSA-N
Hvpx___80418_24_2 =  8.3E-27                                  ! [atm] type: Q, ref: 3088

! species:  triolein
! formula:  C_{57}H_{104}O_6
! trivial:  
! casrn:    122-32-7
! inchikey: PHYFQTYBJUILEZ-IUPFWZBJSA-N
Hvpx_____122_32_7 =  5.3E+01                                  ! [atm] type: Q, ref: 3088

! species:  tristearin
! formula:  C_{57}H_{110}O_6
! trivial:  
! casrn:    555-43-1
! inchikey: DCXXMTOCNZCJGO-UHFFFAOYSA-N
Hvpx_____555_43_1 =  7.7E+01                                  ! [atm] type: Q, ref: 3088

! species:  cyanamide
! formula:  CH_2N_2
! trivial:  
! casrn:    420-04-2
! inchikey: XZMCDFZZKTWFGF-UHFFFAOYSA-N
Hvpx_____420_04_2 =  1.5E-05                                  ! [atm] type: V, ref: 3088

! species:  methylhydrazine
! formula:  CH_6N_2
! trivial:  
! casrn:    60-34-4
! inchikey: HDZGCSFEDULWCS-UHFFFAOYSA-N
Hvpx______60_34_4 =  1.7E-01                                  ! [atm] type: V, ref: 3088

! species:  methanamine
! formula:  CH_3NH_2
! trivial:  methylamine
! casrn:    74-89-5
! inchikey: BAVYZALUXZFZLV-UHFFFAOYSA-N
Hvpx______74_89_5 =  6.1E-01                                  ! [atm] type: L, ref: 3500
Hvpx______74_89_5 =  6.1E-01                                  ! [atm] type: L, ref: 3245
Hvpx______74_89_5 =  1.6E+00 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______74_89_5 =  6.2E-01                                  ! [atm] type: M, ref: 721
Hvpx______74_89_5 =  4.9E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______74_89_5 =  7.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______74_89_5 =  8.8E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______74_89_5 =  5.2E-01                                  ! [atm] type: Q, ref: 3579
Hvpx______74_89_5 =  4.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______74_89_5 =  2.4E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______74_89_5 =  5.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______74_89_5 =  4.9E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______74_89_5 =  8.9E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______74_89_5 =  9.8E-01                                  ! [atm] type: Q, ref: 984
Hvpx______74_89_5 =  6.1E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______74_89_5 =  6.1E-01                                  ! [atm] type: ?, ref: 2614
Hvpx______74_89_5 =  6.2E-01                                  ! [atm] type: ?, ref: 1500
Hvpx______74_89_5 =  3.9E-01                                  ! [atm] type: ?, ref: 641

! species:  ethanamine
! formula:  C_2H_5NH_2
! trivial:  ethylamine
! casrn:    75-04-7
! inchikey: QUSNBJAOOMFDIB-UHFFFAOYSA-N
Hvpx______75_04_7 =  6.8E-01                                  ! [atm] type: L, ref: 3500
Hvpx______75_04_7 =  6.8E-01                                  ! [atm] type: L, ref: 3245
Hvpx______75_04_7 =  6.5E-01                                  ! [atm] type: L, ref: 3518
Hvpx______75_04_7 =  1.6E+00 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______75_04_7 =  6.8E-01                                  ! [atm] type: M, ref: 721
Hvpx______75_04_7 =  5.5E-01                                  ! [atm] type: M, ref: 713
Hvpx______75_04_7 =  1.8E+00                                  ! [atm] type: V, ref: 2439
Hvpx______75_04_7 =  5.4E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______75_04_7 =  2.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______75_04_7 =  5.6E-01                                  ! [atm] type: Q, ref: 3689
Hvpx______75_04_7 =  6.9E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______75_04_7 =  3.2E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______75_04_7 =  1.7E+00                                  ! [atm] type: Q, ref: 3731
Hvpx______75_04_7 =  5.8E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______75_04_7 =  1.2E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______75_04_7 =  1.2E+00                                  ! [atm] type: Q, ref: 984
Hvpx______75_04_7 =  2.3E-01                                  ! [atm] type: Q, ref: 731
Hvpx______75_04_7 =  4.1E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______75_04_7 =  6.8E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______75_04_7 =  5.5E-01                                  ! [atm] type: ?, ref: 2614
Hvpx______75_04_7 =  1.4E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______75_04_7 =  6.8E-01                                  ! [atm] type: ?, ref: 1500

! species:  1H-1,2,4-triazole
! formula:  C_2H_3N_3
! trivial:  
! casrn:    288-88-0
! inchikey: NSPMIYGKQJPBQR-UHFFFAOYSA-N
Hvpx_____288_88_0 =  8.3E-02                                  ! [atm] type: Q, ref: 3088

! species:  dicyandiamide
! formula:  C_2H_4N_4
! trivial:  cyanoguanidine
! casrn:    461-58-5
! inchikey: QGBSISYHAICWAH-UHFFFAOYSA-N
Hvpx_____461_58_5 =  1.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  ethylenimine
! formula:  C_2H_5N
! trivial:  
! casrn:    151-56-4
! inchikey: NOWKCMXCCJGMRR-UHFFFAOYSA-N
Hvpx_____151_56_4 =  6.7E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____151_56_4 =  6.6E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____151_56_4 =  1.9E-02                                  ! [atm] type: Q, ref: 3586

! species:  1,2-dimethylhydrazine
! formula:  C_2H_8N_2
! trivial:  
! casrn:    540-73-8
! inchikey: DIIIISSCIXVANO-UHFFFAOYSA-N
Hvpx_____540_73_8 =  3.0E-01                                  ! [atm] type: V, ref: 3088

! species:  1,1-dimethylhydrazine
! formula:  C_2H_8N_2
! trivial:  
! casrn:    57-14-7
! inchikey: RHUYHJGZWVXEHW-UHFFFAOYSA-N
Hvpx______57_14_7 =  7.2E-01                                  ! [atm] type: V, ref: 3088

! species:  1-propanamine
! formula:  C_3H_7NH_2
! trivial:  propylamine
! casrn:    107-10-8
! inchikey: WGYKZJWCGVVSQN-UHFFFAOYSA-N
Hvpx_____107_10_8 =  8.3E-01                                  ! [atm] type: L, ref: 3500
Hvpx_____107_10_8 =  8.3E-01                                  ! [atm] type: L, ref: 3245
Hvpx_____107_10_8 =  8.1E-01                                  ! [atm] type: L, ref: 3518
Hvpx_____107_10_8 =  9.8E-01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3685
Hvpx_____107_10_8 =  1.1E+00                                  ! [atm] type: M, ref: 1195
Hvpx_____107_10_8 =  8.2E-01                                  ! [atm] type: M, ref: 721
Hvpx_____107_10_8 =  7.0E-01                                  ! [atm] type: M, ref: 713
Hvpx_____107_10_8 =  8.2E-01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: T, ref: 3674
Hvpx_____107_10_8 =  4.0E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_10_8 =  2.4E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_10_8 =  1.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_10_8 =  2.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_10_8 =  8.2E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____107_10_8 =  2.1E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____107_10_8 =  1.1E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____107_10_8 =  1.5E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____107_10_8 =  3.5E-01                                  ! [atm] type: Q, ref: 731
Hvpx_____107_10_8 =  5.4E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____107_10_8 =  8.2E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____107_10_8 =  7.0E-01                                  ! [atm] type: ?, ref: 2614
Hvpx_____107_10_8 =  1.4E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____107_10_8 =  8.2E-01                                  ! [atm] type: ?, ref: 1500

! species:  2-propanamine
! formula:  C_3H_9N
! trivial:  isopropylamine
! casrn:    75-31-0
! inchikey: JJWLVOIRVHMVIS-UHFFFAOYSA-N
Hvpx______75_31_0 =  2.5E+00                                  ! [atm] type: V, ref: 3586
Hvpx______75_31_0 =  2.5E+00                                  ! [atm] type: C, ref: 2521
Hvpx______75_31_0 =  6.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______75_31_0 =  2.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______75_31_0 =  2.3E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______75_31_0 =  2.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______75_31_0 =  3.3E+00                                  ! [atm] type: Q, ref: 3731
Hvpx______75_31_0 =  1.7E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______75_31_0 =  4.2E+00                                  ! [atm] type: ?, ref: 2440

! species:  propanedinitrile
! formula:  C_3H_2N_2
! trivial:  malononitrile
! casrn:    109-77-3
! inchikey: CUONGYYJJVDODC-UHFFFAOYSA-N
Hvpx_____109_77_3 =  7.3E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____109_77_3 =  2.7E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_77_3 =  7.0E-04                                  ! [atm] type: Q, ref: 3088
Hvpx_____109_77_3 =  2.7E-02                                  ! [atm] type: Q, ref: 3406
Hvpx_____109_77_3 =  8.7E-03                                  ! [atm] type: ?, ref: 2440

! species:  2-methylaziridine
! formula:  C_3H_7N
! trivial:  
! casrn:    75-55-8
! inchikey: OZDGMOYKSFPLSE-UHFFFAOYSA-N
Hvpx______75_55_8 =  5.5E-01                                  ! [atm] type: V, ref: 3586
Hvpx______75_55_8 =  4.5E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______75_55_8 =  4.7E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______75_55_8 =  3.6E-01                                  ! [atm] type: Q, ref: 3764

! species:  1,2-diaminopropane
! formula:  C_3H_{10}N_2
! trivial:  
! casrn:    78-90-0
! inchikey: AOHJOMMDDJHIJH-UHFFFAOYSA-N
Hvpx______78_90_0 =  4.0E-04 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584

! species:  1-butanamine
! formula:  C_4H_9NH_2
! trivial:  butylamine
! casrn:    109-73-9
! inchikey: HQABUPZFAYXKJW-UHFFFAOYSA-N
Hvpx_____109_73_9 =  9.7E-01                                  ! [atm] type: L, ref: 3500
Hvpx_____109_73_9 =  9.7E-01                                  ! [atm] type: L, ref: 3245
Hvpx_____109_73_9 =  1.0E+00                                  ! [atm] type: L, ref: 3518
Hvpx_____109_73_9 =  9.7E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____109_73_9 =  1.1E+00                                  ! [atm] type: M, ref: 2218
Hvpx_____109_73_9 =  9.7E-01                                  ! [atm] type: M, ref: 721
Hvpx_____109_73_9 =  8.4E-01                                  ! [atm] type: M, ref: 713
Hvpx_____109_73_9 =  2.5E+00                                  ! [atm] type: V, ref: 2439
Hvpx_____109_73_9 =  1.2E+00                                  ! [atm] type: V, ref: 2388
Hvpx_____109_73_9 =  1.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_73_9 =  1.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_73_9 =  2.7E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____109_73_9 =  4.4E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_73_9 =  2.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_73_9 =  8.3E-01                                  ! [atm] type: Q, ref: 3689
Hvpx_____109_73_9 =  1.4E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____109_73_9 =  1.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_73_9 =  3.5E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_73_9 =  1.1E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_73_9 =  2.3E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____109_73_9 =  7.4E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_73_9 =  1.4E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_73_9 =  2.0E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____109_73_9 =  4.8E-01                                  ! [atm] type: Q, ref: 731
Hvpx_____109_73_9 =  6.9E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____109_73_9 =  9.6E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____109_73_9 =  8.3E-01                                  ! [atm] type: ?, ref: 2614
Hvpx_____109_73_9 =  2.5E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____109_73_9 =  1.1E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-butanamine
! formula:  C_4H_{11}N
! trivial:  {\it sec}-butylamine
! casrn:    13952-84-6
! inchikey: BHRZNVHARXXAHW-UHFFFAOYSA-N
Hvpx___13952_84_6 =  1.4E+00 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3007
Hvpx___13952_84_6 =  8.5E+00                                  ! [atm] type: V, ref: 3586
Hvpx___13952_84_6 =  8.3E+00                                  ! [atm] type: C, ref: 2521
Hvpx___13952_84_6 =  6.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___13952_84_6 =  3.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___13952_84_6 =  3.3E-01                                  ! [atm] type: Q, ref: 2530
Hvpx___13952_84_6 =  2.5E+00                                  ! [atm] type: Q, ref: 3764

! species:  2-methyl-1-propanamine
! formula:  C_4H_{11}N
! trivial:  isobutylamine
! casrn:    78-81-9
! inchikey: KDSNLYIMUZNERS-UHFFFAOYSA-N
Hvpx______78_81_9 =  7.5E-01                                  ! [atm] type: V, ref: 3586
Hvpx______78_81_9 =  7.6E-01                                  ! [atm] type: C, ref: 2521
Hvpx______78_81_9 =  6.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______78_81_9 =  2.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______78_81_9 =  2.8E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______78_81_9 =  1.1E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______78_81_9 =  3.7E+00                                  ! [atm] type: Q, ref: 3731
Hvpx______78_81_9 =  1.4E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______78_81_9 =  1.2E+00                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-2-propanamine
! formula:  C_4H_{11}N
! trivial:  {\it tert}-butylamine
! casrn:    75-64-9
! inchikey: YBRBMKDOPFTVDT-UHFFFAOYSA-N
Hvpx______75_64_9 =  2.0E+00                                  ! [atm] type: V, ref: 3586
Hvpx______75_64_9 =  2.0E+00                                  ! [atm] type: C, ref: 2521
Hvpx______75_64_9 =  1.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______75_64_9 =  1.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______75_64_9 =  5.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______75_64_9 =  1.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______75_64_9 =  2.6E+00                                  ! [atm] type: Q, ref: 3764

! species:  dimethylethylamine
! formula:  C_4H_{11}N
! trivial:  
! casrn:    598-56-1
! inchikey: DAZXVJBJRMWXJP-UHFFFAOYSA-N
Hvpx_____598_56_1 =  4.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____598_56_1 =  6.1E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____598_56_1 =  4.9E+00                                  ! [atm] type: Q, ref: 3579

! species:  2-propylguanidine
! formula:  C_4H_{11}N_3
! trivial:  
! casrn:    462-25-9
! inchikey: BWMDMTSNSXYYSP-UHFFFAOYSA-N
Hvpx_____462_25_9 =  1.3E-05                                  ! [atm] type: ?, ref: 3766

! species:  1,2-diethylhydrazine
! formula:  C_4H_{12}N_2
! trivial:  
! casrn:    1615-80-1
! inchikey: YCBOYOYVDOUXLH-UHFFFAOYSA-N
Hvpx____1615_80_1 =  6.6E-03                                  ! [atm] type: Q, ref: 3088

! species:  N-(2-aminoethyl)-1,2-ethanediamine
! formula:  C_4H_{13}N_3
! trivial:  diethylenetriamine
! casrn:    111-40-0
! inchikey: RPNUMPOLZDHAAY-UHFFFAOYSA-N
Hvpx_____111_40_0 =  5.5E-10                                  ! [atm] type: Q, ref: 3088

! species:  butanedinitrile
! formula:  C_4H_4N_2
! trivial:  
! casrn:    110-61-2
! inchikey: IAHFWCOBPZCAEA-UHFFFAOYSA-N
Hvpx_____110_61_2 =  6.3E-04 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3621
Hvpx_____110_61_2 =  3.6E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____110_61_2 =  3.6E-04                                  ! [atm] type: V, ref: 3088
Hvpx_____110_61_2 =  1.4E-04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_61_2 =  2.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_61_2 =  1.4E-04                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-1H-imidazole
! formula:  C_4H_6N_2
! trivial:  
! casrn:    693-98-1
! inchikey: LXBGSDVWAMZHDD-UHFFFAOYSA-N
Hvpx_____693_98_1 =  6.7E-04                                  ! [atm] type: M, ref: 3426
Hvpx_____693_98_1 =  3.0E-04                                  ! [atm] type: Q, ref: 3426
Hvpx_____693_98_1 =  4.8E-04                                  ! [atm] type: Q, ref: 3426
Hvpx_____693_98_1 =  2.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  4-methyl-1H-imidazole
! formula:  C_4H_6N_2
! trivial:  
! casrn:    822-36-6
! inchikey: XLSZMDLNRCVEIJ-UHFFFAOYSA-N
Hvpx_____822_36_6 =  2.3E-01                                  ! [atm] type: Q, ref: 3088

! species:  N-methyl-1,3-propanediamine
! formula:  C_4H_{12}N_2
! trivial:  3-(methylamino)propylamine
! casrn:    6291-84-5
! inchikey: QHJABUZHRJTCAR-UHFFFAOYSA-N
Hvpx____6291_84_5 =  3.9E-04 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584
Hvpx____6291_84_5 =  2.6E-04 * EXP(  -8800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3654

! species:  1-pentanamine
! formula:  C_5H_{11}NH_2
! trivial:  1-pentylamine
! casrn:    110-58-7
! inchikey: DPBLXKKOBLCELK-UHFFFAOYSA-N
Hvpx_____110_58_7 =  1.3E+00                                  ! [atm] type: L, ref: 3518
Hvpx_____110_58_7 =  1.4E+00                                  ! [atm] type: M, ref: 2218
Hvpx_____110_58_7 =  1.8E+00                                  ! [atm] type: M, ref: 2388
Hvpx_____110_58_7 =  1.4E+00                                  ! [atm] type: M, ref: 721
Hvpx_____110_58_7 =  3.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____110_58_7 =  2.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_58_7 =  3.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_58_7 =  4.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_58_7 =  1.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_58_7 =  9.8E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_58_7 =  1.4E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_58_7 =  2.5E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____110_58_7 =  7.6E-01                                  ! [atm] type: Q, ref: 731
Hvpx_____110_58_7 =  3.6E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____110_58_7 =  1.3E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____110_58_7 =  1.4E+00                                  ! [atm] type: ?, ref: 1500

! species:  3-methyl-1-butanamine
! formula:  C_5H_{13}N
! trivial:  
! casrn:    107-85-7
! inchikey: BMFVGAAISNGQNM-UHFFFAOYSA-N
Hvpx_____107_85_7 =  1.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____107_85_7 =  1.8E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____107_85_7 =  2.5E+00                                  ! [atm] type: Q, ref: 2521

! species:  1,2-dimethylpropylamine
! formula:  C_5H_{13}N
! trivial:  
! casrn:    598-74-3
! inchikey: JOZZAIIGWFLONA-UHFFFAOYSA-N
Hvpx_____598_74_3 =  1.4E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____598_74_3 =  1.4E+00                                  ! [atm] type: Q, ref: 3579

! species:  dimethylpropylamine
! formula:  C_5H_{13}N
! trivial:  
! casrn:    926-63-6
! inchikey: ZUHZZVMEUAUWHY-UHFFFAOYSA-N
Hvpx_____926_63_6 =  6.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____926_63_6 =  1.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____926_63_6 =  6.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  dimethylisopropylamine
! formula:  C_5H_{13}N
! trivial:  
! casrn:    996-35-0
! inchikey: VMOWKUTXPNPTEN-UHFFFAOYSA-N
Hvpx_____996_35_0 =  6.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____996_35_0 =  4.7E+00                                  ! [atm] type: Q, ref: 3579

! species:  ethylpropylamine
! formula:  C_5H_{13}N
! trivial:  
! casrn:    20193-20-8
! inchikey: XCVNDBIXFPGMIW-UHFFFAOYSA-N
Hvpx___20193_20_8 =  3.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20193_20_8 =  3.4E+00                                  ! [atm] type: Q, ref: 3579

! species:  ethylisopropylamine
! formula:  C_5H_{13}N
! trivial:  
! casrn:    19961-27-4
! inchikey: RIVIDPPYRINTTH-UHFFFAOYSA-N
Hvpx___19961_27_4 =  3.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19961_27_4 =  3.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  methyldiethylamine
! formula:  C_5H_{13}N
! trivial:  
! casrn:    616-39-7
! inchikey: GNVRJGIVDSQCOP-UHFFFAOYSA-N
Hvpx_____616_39_7 =  6.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____616_39_7 =  5.2E+00                                  ! [atm] type: Q, ref: 3579

! species:  2-methylpiperazine
! formula:  C_5H_{12}N_2
! trivial:  
! casrn:    109-07-9
! inchikey: JOMNTHCQHJPVAZ-UHFFFAOYSA-N
Hvpx_____109_07_9 =  1.1E-04 * EXP(  -9200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584

! species:  1-hexanamine
! formula:  C_6H_{13}NH_2
! trivial:  hexylamine
! casrn:    111-26-2
! inchikey: BMVXCPBXGZKUPN-UHFFFAOYSA-N
Hvpx_____111_26_2 =  1.6E+00                                  ! [atm] type: L, ref: 3518
Hvpx_____111_26_2 =  1.7E+00                                  ! [atm] type: M, ref: 2218
Hvpx_____111_26_2 =  1.5E+00                                  ! [atm] type: M, ref: 721
Hvpx_____111_26_2 =  5.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_26_2 =  2.4E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____111_26_2 =  2.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_26_2 =  3.8E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____111_26_2 =  1.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_26_2 =  5.5E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_26_2 =  1.7E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_26_2 =  5.9E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____111_26_2 =  1.3E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_26_2 =  1.7E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_26_2 =  3.1E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____111_26_2 =  1.6E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____111_26_2 =  1.2E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____111_26_2 =  1.5E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____111_26_2 =  5.5E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_26_2 =  1.7E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-hexanamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    5329-79-3
! inchikey: WGBBUURBHXLGFM-UHFFFAOYSA-N
Hvpx____5329_79_3 =  2.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5329_79_3 =  3.7E+00                                  ! [atm] type: Q, ref: 3579

! species:  3-hexanamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    16751-58-9
! inchikey: HQLZFBUAULNEGP-UHFFFAOYSA-N
Hvpx___16751_58_9 =  3.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16751_58_9 =  3.5E+00                                  ! [atm] type: Q, ref: 3579

! species:  1-amino-2-methylpentane
! formula:  C_6H_{15}N
! trivial:  
! casrn:    13364-16-4
! inchikey: WNDXRJBYZOSNQO-UHFFFAOYSA-N
Hvpx___13364_16_4 =  2.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13364_16_4 =  3.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  1-amino-3-methylpentane
! formula:  C_6H_{15}N
! trivial:  
! casrn:    42245-37-4
! inchikey: JLAUIBFZZUVOBB-UHFFFAOYSA-N
Hvpx___42245_37_4 =  2.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___42245_37_4 =  3.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  1-amino-4-methylpentane
! formula:  C_6H_{15}N
! trivial:  
! casrn:    5344-20-7
! inchikey: QVIAMKXOQGCYCV-UHFFFAOYSA-N
Hvpx____5344_20_7 =  2.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5344_20_7 =  3.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  2-amino-3-methylpentane
! formula:  C_6H_{15}N
! trivial:  
! casrn:    35399-81-6
! inchikey: ZFAGOADKDXXTSV-UHFFFAOYSA-N
Hvpx___35399_81_6 =  3.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___35399_81_6 =  2.6E+00                                  ! [atm] type: Q, ref: 3579

! species:  2-amino-4-methylpentane
! formula:  C_6H_{15}N
! trivial:  
! casrn:    108-09-8
! inchikey: UNBMPKNTYKDYCG-UHFFFAOYSA-N
Hvpx_____108_09_8 =  2.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_09_8 =  2.4E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_09_8 =  1.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_09_8 =  2.7E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_09_8 =  1.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  3-amino-2-methylpentane
! formula:  C_6H_{15}N
! trivial:  
! casrn:    54287-41-1
! inchikey: JYNQKCFJPQEXSL-UHFFFAOYSA-N
Hvpx___54287_41_1 =  3.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___54287_41_1 =  2.6E+00                                  ! [atm] type: Q, ref: 3579

! species:  1-amino-2-ethylbutane
! formula:  C_6H_{15}N
! trivial:  
! casrn:    617-79-8
! inchikey: MGWAGIQQTULHGU-UHFFFAOYSA-N
Hvpx_____617_79_8 =  3.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____617_79_8 =  3.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  1-amino-2,2-dimethylbutane
! formula:  C_6H_{15}N
! trivial:  
! casrn:    41781-17-3
! inchikey: PZVPOYBHOPRJNP-UHFFFAOYSA-N
Hvpx___41781_17_3 =  2.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___41781_17_3 =  2.7E+00                                  ! [atm] type: Q, ref: 3579

! species:  1-amino-2,3-dimethylbutane
! formula:  C_6H_{15}N
! trivial:  
! casrn:    66553-05-7
! inchikey: GBMSZXWHMSSBGP-UHFFFAOYSA-N
Hvpx___66553_05_7 =  2.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66553_05_7 =  2.4E+00                                  ! [atm] type: Q, ref: 3579

! species:  1-amino-3,3-dimethylbutane
! formula:  C_6H_{15}N
! trivial:  
! casrn:    15673-00-4
! inchikey: GPWHFPWZAPOYNO-UHFFFAOYSA-N
Hvpx___15673_00_4 =  3.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15673_00_4 =  2.8E+00                                  ! [atm] type: Q, ref: 3579

! species:  2-amino-3,3-dimethylbutane
! formula:  C_6H_{15}N
! trivial:  
! casrn:    3850-30-4
! inchikey: DXSUORGKJZADET-UHFFFAOYSA-N
Hvpx____3850_30_4 =  2.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3850_30_4 =  2.3E+00                                  ! [atm] type: Q, ref: 3579

! species:  dimethylbutylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    927-62-8
! inchikey: DJEQZVQFEPKLOY-UHFFFAOYSA-N
Hvpx_____927_62_8 =  6.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____927_62_8 =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____927_62_8 =  8.2E+00                                  ! [atm] type: Q, ref: 3579

! species:  dimethyl-{\it sec}-butylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    921-04-0
! inchikey: USSPHSVODLAWSA-UHFFFAOYSA-N
Hvpx_____921_04_0 =  5.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____921_04_0 =  4.7E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____921_04_0 =  6.2E+00                                  ! [atm] type: Q, ref: 3579

! species:  dimethyl-{\it tert}-butylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    918-02-5
! inchikey: OXQMIXBVXHWDPX-UHFFFAOYSA-N
Hvpx_____918_02_5 =  5.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____918_02_5 =  6.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  ethylbutylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    13360-63-9
! inchikey: QHCCDDQKNUYGNC-UHFFFAOYSA-N
Hvpx___13360_63_9 =  4.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13360_63_9 =  4.6E+00                                  ! [atm] type: Q, ref: 3579

! species:  ethylisobutylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    13205-60-2
! inchikey: FNLUJDLKYOWMMF-UHFFFAOYSA-N
Hvpx___13205_60_2 =  3.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13205_60_2 =  4.6E+00                                  ! [atm] type: Q, ref: 3579

! species:  ethyl-{\it sec}-butylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    21035-44-9
! inchikey: KFYKZKISJBGVMR-UHFFFAOYSA-N
Hvpx___21035_44_9 =  3.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___21035_44_9 =  4.2E+00                                  ! [atm] type: Q, ref: 3579

! species:  methyl-1,1-dimethylpropylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    2978-64-5
! inchikey: BUJFTKPQXSIZFX-UHFFFAOYSA-N
Hvpx____2978_64_5 =  4.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2978_64_5 =  3.1E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____2978_64_5 =  4.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  methyl-1,2-dimethylpropylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    34317-39-0
! inchikey: LJLWVVCWBURGCC-UHFFFAOYSA-N
Hvpx___34317_39_0 =  4.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___34317_39_0 =  9.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___34317_39_0 =  4.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  methyl-2,2-dimethylpropylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    26153-91-3
! inchikey: UQGXHNDRCRTZAC-UHFFFAOYSA-N
Hvpx___26153_91_3 =  4.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___26153_91_3 =  5.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  methyl-1-methylbutylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    51932-19-5
! inchikey: IPBXLJFBVNLKFE-UHFFFAOYSA-N
Hvpx___51932_19_5 =  4.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___51932_19_5 =  6.3E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___51932_19_5 =  4.5E+00                                  ! [atm] type: Q, ref: 3579

! species:  methylethylpropylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    4458-32-6
! inchikey: SMBYUOXUISCLCF-UHFFFAOYSA-N
Hvpx____4458_32_6 =  5.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4458_32_6 =  5.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____4458_32_6 =  6.6E+00                                  ! [atm] type: Q, ref: 3579

! species:  methylethylisopropylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    39198-07-7
! inchikey: UTLDDSNRFHWERZ-UHFFFAOYSA-N
Hvpx___39198_07_7 =  5.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___39198_07_7 =  5.6E+00                                  ! [atm] type: Q, ref: 3579

! species:  methylpentylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    25419-06-1
! inchikey: UOIWOHLIGKIYFE-UHFFFAOYSA-N
Hvpx___25419_06_1 =  4.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___25419_06_1 =  5.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  propylisopropylamine
! formula:  C_6H_{15}N
! trivial:  
! casrn:    21968-17-2
! inchikey: VLSTXUUYLIALPB-UHFFFAOYSA-N
Hvpx___21968_17_2 =  3.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___21968_17_2 =  4.2E+00                                  ! [atm] type: Q, ref: 3579

! species:  1,6-hexanediamine
! formula:  C_6H_{16}N_2
! trivial:  hexamethylenediamine
! casrn:    124-09-4
! inchikey: NAQMVNRVTILPCV-UHFFFAOYSA-N
Hvpx_____124_09_4 =  5.3E-04 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584
Hvpx_____124_09_4 =  1.8E-04                                  ! [atm] type: Q, ref: 3088

! species:  N,N'-methanetetraylbis-2-propanamine
! formula:  C_7H_{14}N_2
! trivial:  1,3-diisopropylcarbodiimide
! casrn:    693-13-0
! inchikey: BDNKZNFMNDZQMI-UHFFFAOYSA-N
Hvpx_____693_13_0 =  5.5E+01                                  ! [atm] type: Q, ref: 3088

! species:  4-methyl-2-hexanamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    105-41-9
! inchikey: YAHRDLICUYEDAU-UHFFFAOYSA-N
Hvpx_____105_41_9 =  2.3E+00                                  ! [atm] type: Q, ref: 3088

! species:  1-heptanamine
! formula:  C_7H_{17}N
! trivial:  1-heptylamine
! casrn:    111-68-2
! inchikey: WJYIASZWHGOTOU-UHFFFAOYSA-N
Hvpx_____111_68_2 =  2.0E+00                                  ! [atm] type: L, ref: 3518
Hvpx_____111_68_2 =  2.2E+00                                  ! [atm] type: M, ref: 2218
Hvpx_____111_68_2 =  6.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_68_2 =  6.6E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____111_68_2 =  1.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_68_2 =  5.7E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_68_2 =  2.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_68_2 =  1.7E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_68_2 =  4.0E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____111_68_2 =  2.2E+00                                  ! [atm] type: ?, ref: 1500

! species:  diethylisopropylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    6006-15-1
! inchikey: ULWOJODHECIZAU-UHFFFAOYSA-N
Hvpx____6006_15_1 =  7.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6006_15_1 =  6.8E+00                                  ! [atm] type: Q, ref: 3579

! species:  diethylpropylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    4458-31-5
! inchikey: PQZTVWVYCLIIJY-UHFFFAOYSA-N
Hvpx____4458_31_5 =  7.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4458_31_5 =  3.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____4458_31_5 =  7.5E+00                                  ! [atm] type: Q, ref: 3579

! species:  dimethyl-1,1-dimethylpropylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    57757-60-5
! inchikey: CUHMMDPUXJFCNB-UHFFFAOYSA-N
Hvpx___57757_60_5 =  8.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___57757_60_5 =  8.4E+00                                  ! [atm] type: Q, ref: 3579

! species:  dimethyl-1,2-dimethylpropylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    66225-38-5
! inchikey: FWBCYOHCOBOARU-UHFFFAOYSA-N
Hvpx___66225_38_5 =  7.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_38_5 =  9.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_38_5 =  7.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  dimethyl-2,2-dimethylpropylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    10076-31-0
! inchikey: FUIRUFXAVIHAQB-UHFFFAOYSA-N
Hvpx___10076_31_0 =  8.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___10076_31_0 =  3.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___10076_31_0 =  9.4E+00                                  ! [atm] type: Q, ref: 3579

! species:  dimethyl-2-methylbutylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    66225-39-6
! inchikey: BHMZPPHMQJHCHQ-UHFFFAOYSA-N
Hvpx___66225_39_6 =  7.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_39_6 =  2.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_39_6 =  9.2E+00                                  ! [atm] type: Q, ref: 3579

! species:  dimethyl-3-methylbutylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    2315-43-7
! inchikey: KOOQJINBDNZUTB-UHFFFAOYSA-N
Hvpx____2315_43_7 =  7.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2315_43_7 =  1.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____2315_43_7 =  9.7E+00                                  ! [atm] type: Q, ref: 3579

! species:  dimethylpentylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    26153-88-8
! inchikey: IDFANOPDMXWIOP-UHFFFAOYSA-N
Hvpx___26153_88_8 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___26153_88_8 =  1.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___26153_88_8 =  1.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  dimethyl-2-pentylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    57303-85-2
! inchikey: LSTZYJQJHGEVKH-UHFFFAOYSA-N
Hvpx___57303_85_2 =  7.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___57303_85_2 =  8.2E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___57303_85_2 =  9.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  dimethyl-3-pentylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    18636-94-7
! inchikey: SUEKSPIQGIMSQM-UHFFFAOYSA-N
Hvpx___18636_94_7 =  7.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___18636_94_7 =  9.9E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___18636_94_7 =  8.5E+00                                  ! [atm] type: Q, ref: 3579

! species:  ethylpentylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    17839-26-8
! inchikey: ICVFPLUSMYSIFO-UHFFFAOYSA-N
Hvpx___17839_26_8 =  6.4E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17839_26_8 =  9.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___17839_26_8 =  6.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  methyldiisopropylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    10342-97-9
! inchikey: ISRXMEYARGEVIU-UHFFFAOYSA-N
Hvpx___10342_97_9 =  7.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___10342_97_9 =  7.3E+00                                  ! [atm] type: Q, ref: 3579

! species:  methyldipropylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    3405-42-3
! inchikey: UVBMZKBIZUWTLV-UHFFFAOYSA-N
Hvpx____3405_42_3 =  7.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3405_42_3 =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____3405_42_3 =  8.5E+00                                  ! [atm] type: Q, ref: 3579

! species:  methylethylbutylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    66225-40-9
! inchikey: WOLFCKKMHUVEPN-UHFFFAOYSA-N
Hvpx___66225_40_9 =  7.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_40_9 =  6.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_40_9 =  9.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  methylethylisobutylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    60247-14-5
! inchikey: QQWXQKMVASVXCI-UHFFFAOYSA-N
Hvpx___60247_14_5 =  7.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___60247_14_5 =  1.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___60247_14_5 =  7.9E+00                                  ! [atm] type: Q, ref: 3579

! species:  methylethyl-{\it sec}-butylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    66225-41-0
! inchikey: HAFZSBASGRZPLA-UHFFFAOYSA-N
Hvpx___66225_41_0 =  6.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_41_0 =  7.7E+00                                  ! [atm] type: Q, ref: 3579

! species:  methylethyl-{\it tert}-butylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    52841-28-8
! inchikey: BWWLCYLGZIWOHK-UHFFFAOYSA-N
Hvpx___52841_28_8 =  7.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___52841_28_8 =  7.2E+00                                  ! [atm] type: Q, ref: 3579

! species:  methylhexylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    35161-70-7
! inchikey: XJINZNWPEQMMBV-UHFFFAOYSA-N
Hvpx___35161_70_7 =  6.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___35161_70_7 =  1.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___35161_70_7 =  6.4E+00                                  ! [atm] type: Q, ref: 3579

! species:  methylpropylisopropylamine
! formula:  C_7H_{17}N
! trivial:  
! casrn:    66225-42-1
! inchikey: OYQDUCLFZSKBCZ-UHFFFAOYSA-N
Hvpx___66225_42_1 =  7.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66225_42_1 =  3.4E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___66225_42_1 =  7.7E+00                                  ! [atm] type: Q, ref: 3579

! species:  1-octanamine
! formula:  C_8H{19}N
! trivial:  octylamine
! casrn:    111-86-4
! inchikey: IOQPZZOEVPZRBK-UHFFFAOYSA-N
Hvpx_____111_86_4 =  2.5E+00                                  ! [atm] type: L, ref: 3518
Hvpx_____111_86_4 =  2.9E+00                                  ! [atm] type: M, ref: 2218
Hvpx_____111_86_4 =  4.6E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____111_86_4 =  2.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_86_4 =  2.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____111_86_4 =  1.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_86_4 =  2.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_86_4 =  2.2E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_86_4 =  5.1E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____111_86_4 =  4.5E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_86_4 =  2.8E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-ethyl-1-hexanamine
! formula:  C_8H_{19}N
! trivial:  2-ethylhexylamine
! casrn:    104-75-6
! inchikey: LTHNHFOGQMKPOV-UHFFFAOYSA-N
Hvpx_____104_75_6 =  5.3E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____104_75_6 =  5.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____104_75_6 =  1.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____104_75_6 =  5.7E-01                                  ! [atm] type: Q, ref: 2530

! species:  diethylbutylamine
! formula:  C_8H_{19}N
! trivial:  
! casrn:    4444-68-2
! inchikey: ORSUTASIQKBEFU-UHFFFAOYSA-N
Hvpx____4444_68_2 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4444_68_2 =  4.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____4444_68_2 =  1.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  dimethylhexylamine
! formula:  C_8H_{19}N
! trivial:  
! casrn:    4385-04-0
! inchikey: QMHNQZGXPNCMCO-UHFFFAOYSA-N
Hvpx____4385_04_0 =  1.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4385_04_0 =  1.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____4385_04_0 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  ethylhexylamine
! formula:  C_8H_{19}N
! trivial:  
! casrn:    20352-67-4
! inchikey: WSTNFGAKGUERTC-UHFFFAOYSA-N
Hvpx___20352_67_4 =  8.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20352_67_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___20352_67_4 =  7.5E+00                                  ! [atm] type: Q, ref: 3579

! species:  methylheptylamine
! formula:  C_8H_{19}N
! trivial:  
! casrn:    36343-05-2
! inchikey: LTGYRKOQQQWWAF-UHFFFAOYSA-N
Hvpx___36343_05_2 =  8.7E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___36343_05_2 =  2.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___36343_05_2 =  7.7E+00                                  ! [atm] type: Q, ref: 3579

! species:  2,2'-azobis-(2-methylpropanenitrile)
! formula:  C_8H_{12}N_4
! trivial:  
! casrn:    78-67-1
! inchikey: OZAIFHULBGXAKX-UHFFFAOYSA-N
Hvpx______78_67_1 =  2.3E-01                                  ! [atm] type: V, ref: 3586
Hvpx______78_67_1 =  6.8E-03                                  ! [atm] type: Q, ref: 3586

! species:  diethylpentylamine
! formula:  C_9H_{21}N
! trivial:  
! casrn:    2162-91-6
! inchikey: YZULHOOBWDXEOT-UHFFFAOYSA-N
Hvpx____2162_91_6 =  1.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2162_91_6 =  6.4E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____2162_91_6 =  1.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  dimethylheptylamine
! formula:  C_9H_{21}N
! trivial:  
! casrn:    5277-11-2
! inchikey: LSICDRUYCNGRIF-UHFFFAOYSA-N
Hvpx____5277_11_2 =  2.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5277_11_2 =  2.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____5277_11_2 =  1.8E+01                                  ! [atm] type: Q, ref: 3579

! species:  ethylheptylamine
! formula:  C_9H_{21}N
! trivial:  
! casrn:    66793-76-8
! inchikey: IUZZLNVABCISOI-UHFFFAOYSA-N
Hvpx___66793_76_8 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66793_76_8 =  1.0E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___66793_76_8 =  8.7E+00                                  ! [atm] type: Q, ref: 3579

! species:  methyloctylamine
! formula:  C_9H_{21}N
! trivial:  
! casrn:    2439-54-5
! inchikey: SEGJNMCIMOLEDM-UHFFFAOYSA-N
Hvpx____2439_54_5 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2439_54_5 =  1.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____2439_54_5 =  8.7E+00                                  ! [atm] type: Q, ref: 3579

! species:  nonylamine
! formula:  C_9H_{21}N
! trivial:  
! casrn:    112-20-9
! inchikey: FJDUDHYHRVPMJZ-UHFFFAOYSA-N
Hvpx_____112_20_9 =  9.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_20_9 =  2.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  diethylhexylamine
! formula:  C_{10}H_{23}N
! trivial:  
! casrn:    44979-90-0
! inchikey: XHDKYWMKOLURNK-UHFFFAOYSA-N
Hvpx___44979_90_0 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___44979_90_0 =  8.1E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___44979_90_0 =  1.7E+01                                  ! [atm] type: Q, ref: 3579

! species:  dimethyloctylamine
! formula:  C_{10}H_{23}N
! trivial:  
! casrn:    7378-99-6
! inchikey: UQKAOOAFEFCDGT-UHFFFAOYSA-N
Hvpx____7378_99_6 =  2.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7378_99_6 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____7378_99_6 =  2.2E+01                                  ! [atm] type: Q, ref: 3579

! species:  dipentylamine
! formula:  C_{10}H_{23}N
! trivial:  
! casrn:    2050-92-2
! inchikey: JACMPVXHEARCBO-UHFFFAOYSA-N
Hvpx____2050_92_2 =  1.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2050_92_2 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____2050_92_2 =  8.6E+00                                  ! [atm] type: Q, ref: 3579

! species:  ethyloctylamine
! formula:  C_{10}H_{23}N
! trivial:  
! casrn:    4088-36-2
! inchikey: SDQCOADWEMMSGK-UHFFFAOYSA-N
Hvpx____4088_36_2 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4088_36_2 =  8.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____4088_36_2 =  9.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  methylnonylamine
! formula:  C_{10}H_{23}N
! trivial:  
! casrn:    39093-27-1
! inchikey: OZIXTIPURXIEMB-UHFFFAOYSA-N
Hvpx___39093_27_1 =  9.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___39093_27_1 =  2.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___39093_27_1 =  9.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  diethylheptylamine
! formula:  C_{11}H_{25}N
! trivial:  
! casrn:    26981-81-7
! inchikey: YUCNJMBRLIZNMO-UHFFFAOYSA-N
Hvpx___26981_81_7 =  2.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___26981_81_7 =  5.0E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___26981_81_7 =  2.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  dimethylnonylamine
! formula:  C_{11}H_{25}N
! trivial:  
! casrn:    17373-27-2
! inchikey: AMAADDMFZSZCNT-UHFFFAOYSA-N
Hvpx___17373_27_2 =  3.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17373_27_2 =  1.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___17373_27_2 =  2.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  diethyloctylamine
! formula:  C_{12}H_{27}N
! trivial:  
! casrn:    4088-37-3
! inchikey: BVUGARXRRGZONH-UHFFFAOYSA-N
Hvpx____4088_37_3 =  2.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4088_37_3 =  2.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  dihexylamine
! formula:  C_{12}H_{27}N
! trivial:  
! casrn:    143-16-8
! inchikey: PXSXRABJBXYMFT-UHFFFAOYSA-N
Hvpx_____143_16_8 =  4.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____143_16_8 =  6.1E+00                                  ! [atm] type: Q, ref: 3579

! species:  dimethyldecylamine
! formula:  C_{12}H_{27}N
! trivial:  
! casrn:    1120-24-7
! inchikey: YWWNNLPSZSEZNZ-UHFFFAOYSA-N
Hvpx____1120_24_7 =  3.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1120_24_7 =  1.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____1120_24_7 =  2.4E+01                                  ! [atm] type: Q, ref: 3579

! species:  methylundecylamine
! formula:  C_{12}H_{27}N
! trivial:  
! casrn:    66553-53-5
! inchikey: JCJFBKCQLFMABE-UHFFFAOYSA-N
Hvpx___66553_53_5 =  4.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66553_53_5 =  6.2E+00                                  ! [atm] type: Q, ref: 3579

! species:  diethylnonylamine
! formula:  C_{13}H_{29}N
! trivial:  
! casrn:    45124-35-4
! inchikey: IBTOMDSHMLGUHA-UHFFFAOYSA-N
Hvpx___45124_35_4 =  1.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___45124_35_4 =  4.6E+00                                  ! [atm] type: Q, ref: 3406
Hvpx___45124_35_4 =  2.0E+01                                  ! [atm] type: Q, ref: 3579

! species:  dimethylundecylamine
! formula:  C_{13}H_{29}N
! trivial:  
! casrn:    17373-28-3
! inchikey: MMWFTWUMBYZIRZ-UHFFFAOYSA-N
Hvpx___17373_28_3 =  2.0E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___17373_28_3 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___17373_28_3 =  2.1E+01                                  ! [atm] type: Q, ref: 3579

! species:  ethylundecylamine
! formula:  C_{13}H_{29}N
! trivial:  
! casrn:    59570-04-6
! inchikey: LKVBHKWFYHKTSM-UHFFFAOYSA-N
Hvpx___59570_04_6 =  3.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___59570_04_6 =  4.5E+00                                  ! [atm] type: Q, ref: 3579

! species:  methyldodecylamine
! formula:  C_{13}H_{29}N
! trivial:  
! casrn:    7311-30-0
! inchikey: OMEMQVZNTDHENJ-UHFFFAOYSA-N
Hvpx____7311_30_0 =  3.6E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7311_30_0 =  3.9E+00                                  ! [atm] type: Q, ref: 3579

! species:  diethyldecylamine
! formula:  C_{14}H_{31}N
! trivial:  
! casrn:    6308-94-7
! inchikey: UFFQZCPLBHYOFV-UHFFFAOYSA-N
Hvpx____6308_94_7 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6308_94_7 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  diheptylamine
! formula:  C_{14}H_{31}N
! trivial:  
! casrn:    2470-68-0
! inchikey: NJWMENBYMFZACG-UHFFFAOYSA-N
Hvpx____2470_68_0 =  3.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2470_68_0 =  2.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  ethyldodecylamine
! formula:  C_{14}H_{31}N
! trivial:  
! casrn:    35902-57-9
! inchikey: LWIPGCTWFZCIKX-UHFFFAOYSA-N
Hvpx___35902_57_9 =  3.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___35902_57_9 =  2.4E+00                                  ! [atm] type: Q, ref: 3579

! species:  methyltridecylamine
! formula:  C_{14}H_{31}N
! trivial:  
! casrn:    45165-81-9
! inchikey: XMRPIOZXPHTSCE-UHFFFAOYSA-N
Hvpx___45165_81_9 =  2.8E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___45165_81_9 =  2.0E+00                                  ! [atm] type: Q, ref: 3579

! species:  tripentylamine
! formula:  C_{15}H_{33}N
! trivial:  
! casrn:    621-77-2
! inchikey: OOHAUGDGCWURIT-UHFFFAOYSA-N
Hvpx_____621_77_2 =  8.1E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____621_77_2 =  1.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____621_77_2 =  7.7E+00                                  ! [atm] type: Q, ref: 3579

! species:  1-tridecanamine
! formula:  C_{13}H_{29}N
! trivial:  
! casrn:    2869-34-3
! inchikey: ABVVEAHYODGCLZ-UHFFFAOYSA-N
Hvpx____2869_34_3 =  6.1E+00                                  ! [atm] type: M, ref: 1195

! species:  dimethylamine
! formula:  (CH_3)_2NH
! trivial:  
! casrn:    124-40-3
! inchikey: ROSDSFDQCJNGOL-UHFFFAOYSA-N
Hvpx_____124_40_3 =  9.9E-01                                  ! [atm] type: L, ref: 3500
Hvpx_____124_40_3 =  9.9E-01                                  ! [atm] type: L, ref: 3245
Hvpx_____124_40_3 =  8.8E-01                                  ! [atm] type: L, ref: 3518
Hvpx_____124_40_3 =  1.8E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____124_40_3 =  9.8E-01                                  ! [atm] type: M, ref: 721
Hvpx_____124_40_3 =  9.5E-01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx_____124_40_3 =  8.0E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____124_40_3 =  3.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____124_40_3 =  9.8E-01                                  ! [atm] type: Q, ref: 3689
Hvpx_____124_40_3 =  9.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____124_40_3 =  6.8E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____124_40_3 =  8.2E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____124_40_3 =  1.2E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____124_40_3 =  1.0E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____124_40_3 =  1.5E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____124_40_3 =  6.8E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____124_40_3 =  9.8E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____124_40_3 =  9.8E-01                                  ! [atm] type: ?, ref: 2614
Hvpx_____124_40_3 =  9.6E-01                                  ! [atm] type: ?, ref: 1500

! species:  diethylamine
! formula:  (C_2H_5)_2NH
! trivial:  
! casrn:    109-89-7
! inchikey: HPNMFZURTQLUMO-UHFFFAOYSA-N
Hvpx_____109_89_7 =  1.4E+00                                  ! [atm] type: L, ref: 3500
Hvpx_____109_89_7 =  1.4E+00                                  ! [atm] type: L, ref: 3245
Hvpx_____109_89_7 =  1.5E+00                                  ! [atm] type: L, ref: 3518
Hvpx_____109_89_7 =  1.4E+00                                  ! [atm] type: M, ref: 721
Hvpx_____109_89_7 =  1.3E+00 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx_____109_89_7 =  1.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_89_7 =  4.3E-01 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____109_89_7 =  1.1E+01                                  ! [atm] type: Q, ref: 3682
Hvpx_____109_89_7 =  4.4E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_89_7 =  2.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_89_7 =  3.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_89_7 =  2.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_89_7 =  1.1E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_89_7 =  2.2E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____109_89_7 =  1.7E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_89_7 =  3.6E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_89_7 =  3.6E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____109_89_7 =  1.2E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____109_89_7 =  1.4E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____109_89_7 =  1.4E+00                                  ! [atm] type: ?, ref: 2614
Hvpx_____109_89_7 =  3.9E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____109_89_7 =  3.7E+00                                  ! [atm] type: ?, ref: 789
Hvpx_____109_89_7 =  1.4E+00                                  ! [atm] type: ?, ref: 1500

! species:  dipropylamine
! formula:  (C_3H_7)_2NH
! trivial:  
! casrn:    142-84-7
! inchikey: WEHWNAOGRSTTBQ-UHFFFAOYSA-N
Hvpx_____142_84_7 =  2.8E+00                                  ! [atm] type: L, ref: 3500
Hvpx_____142_84_7 =  2.8E+00                                  ! [atm] type: L, ref: 3245
Hvpx_____142_84_7 =  2.5E+00                                  ! [atm] type: L, ref: 3518
Hvpx_____142_84_7 =  4.6E+00 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3685
Hvpx_____142_84_7 =  2.8E+00                                  ! [atm] type: M, ref: 721
Hvpx_____142_84_7 =  2.4E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____142_84_7 =  2.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____142_84_7 =  7.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____142_84_7 =  4.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____142_84_7 =  2.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____142_84_7 =  2.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____142_84_7 =  5.7E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____142_84_7 =  2.8E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____142_84_7 =  5.0E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____142_84_7 =  2.4E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____142_84_7 =  2.0E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____142_84_7 =  2.8E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____142_84_7 =  5.0E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____142_84_7 =  2.8E+00                                  ! [atm] type: ?, ref: 1500

! species:  N-methylpropanamine
! formula:  C_4H_{11}N
! trivial:  
! casrn:    627-35-0
! inchikey: GVWISOJSERXQBM-UHFFFAOYSA-N
Hvpx_____627_35_0 =  2.9E+00                                  ! [atm] type: Q, ref: 2521

! species:  N-methyl-2-propanamine
! formula:  C_4H_{11}N
! trivial:  
! casrn:    4747-21-1
! inchikey: XHFGWHUWQXTGAT-UHFFFAOYSA-N
Hvpx____4747_21_1 =  3.4E+00                                  ! [atm] type: Q, ref: 3406
Hvpx____4747_21_1 =  4.0E+00                                  ! [atm] type: Q, ref: 2521

! species:  N-(1-methylethyl)-2-propanamine
! formula:  C_6H_{15}N
! trivial:  diisopropylamine
! casrn:    108-18-9
! inchikey: UAOMVDZJSHZZME-UHFFFAOYSA-N
Hvpx_____108_18_9 =  5.3E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____108_18_9 =  4.2E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_18_9 =  1.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_18_9 =  3.9E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_18_9 =  8.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_18_9 =  1.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_18_9 =  5.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_18_9 =  5.8E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_18_9 =  8.2E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_18_9 =  3.0E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____108_18_9 =  5.9E+00                                  ! [atm] type: ?, ref: 1500

! species:  N,N-dipropyl-1-propanamine
! formula:  C_9H_{21}N
! trivial:  tripropylamine
! casrn:    102-69-2
! inchikey: YFTHZRPMJXBUME-UHFFFAOYSA-N
Hvpx_____102_69_2 =  2.1E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____102_69_2 =  2.1E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____102_69_2 =  2.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____102_69_2 =  2.1E+01                                  ! [atm] type: C, ref: 2521
Hvpx_____102_69_2 =  1.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____102_69_2 =  1.5E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____102_69_2 =  1.2E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____102_69_2 =  8.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____102_69_2 =  4.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____102_69_2 =  2.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____102_69_2 =  2.7E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____102_69_2 =  1.3E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____102_69_2 =  2.1E+01                                  ! [atm] type: ?, ref: 2440

! species:  N-methyl-1-butanamine
! formula:  C_5H_{13}N
! trivial:  N-methylbutylamine
! casrn:    110-68-9
! inchikey: QCOGKXLOEWLIDC-UHFFFAOYSA-N
Hvpx_____110_68_9 =  4.3E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_68_9 =  9.5E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_68_9 =  3.8E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_68_9 =  5.0E+00                                  ! [atm] type: Q, ref: 2521

! species:  dibutylamine
! formula:  (C_4H_9)_2NH
! trivial:  
! casrn:    111-92-2
! inchikey: JQVDAXLFBXTEQA-UHFFFAOYSA-N
Hvpx_____111_92_2 =  4.3E+00                                  ! [atm] type: L, ref: 3518
Hvpx_____111_92_2 =  5.4E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____111_92_2 =  4.9E+00                                  ! [atm] type: M, ref: 721
Hvpx_____111_92_2 =  4.6E+00                                  ! [atm] type: V, ref: 2614
Hvpx_____111_92_2 =  4.6E+00                                  ! [atm] type: V, ref: 636
Hvpx_____111_92_2 =  7.9E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_92_2 =  1.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____111_92_2 =  2.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_92_2 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____111_92_2 =  7.2E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____111_92_2 =  2.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_92_2 =  3.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_92_2 =  5.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_92_2 =  8.8E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____111_92_2 =  4.7E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_92_2 =  6.2E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_92_2 =  3.8E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____111_92_2 =  3.3E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____111_92_2 =  4.9E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____111_92_2 =  7.8E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_92_2 =  5.6E+00                                  ! [atm] type: ?, ref: 1500

! species:  diisobutylamine
! formula:  C_8H_{19}N
! trivial:  
! casrn:    110-96-3
! inchikey: NJBCRXCAPCODGX-UHFFFAOYSA-N
Hvpx_____110_96_3 =  3.1E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____110_96_3 =  1.3E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_96_3 =  1.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_96_3 =  8.8E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_96_3 =  3.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_96_3 =  3.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_96_3 =  3.6E+01                                  ! [atm] type: Q, ref: 3764

! species:  bis-(1-methylpropyl)-amine
! formula:  C_8H_{19}N
! trivial:  di-{\it sec}-butylamine
! casrn:    626-23-3
! inchikey: OBYVIBDTOCAXSN-UHFFFAOYSA-N

! species:  tetraethylenepentamine
! formula:  C_8H_{23}N_5
! trivial:  
! casrn:    112-57-2
! inchikey: FAGUFWYHJQFNRV-UHFFFAOYSA-N
Hvpx_____112_57_2 =  1.7E-15                                  ! [atm] type: Q, ref: 3088

! species:  N,N-di-2-propenyl-2-propen-1-amine
! formula:  C_9H_{15}N
! trivial:  triallylamine
! casrn:    102-70-5
! inchikey: VPYJNCGUESNPMV-UHFFFAOYSA-N
Hvpx_____102_70_5 =  1.4E+01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____102_70_5 =  1.5E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____102_70_5 =  1.5E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____102_70_5 =  2.5E-01                                  ! [atm] type: Q, ref: 3586

! species:  trimethylamine
! formula:  (CH_3)_3N
! trivial:  
! casrn:    75-50-3
! inchikey: GETQZCLCWQTVFV-UHFFFAOYSA-N
Hvpx______75_50_3 =  5.5E+00                                  ! [atm] type: L, ref: 3500
Hvpx______75_50_3 =  5.5E+00                                  ! [atm] type: L, ref: 3245
Hvpx______75_50_3 =  6.5E+00 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3685
Hvpx______75_50_3 =  5.8E-01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3668
Hvpx______75_50_3 =  7.2E+00                                  ! [atm] type: M, ref: 2388
Hvpx______75_50_3 =  5.8E+00                                  ! [atm] type: M, ref: 721
Hvpx______75_50_3 =  5.6E+00                                  ! [atm] type: V, ref: 2388
Hvpx______75_50_3 =  5.3E+00                                  ! [atm] type: Q, ref: 3728
Hvpx______75_50_3 =  6.0E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______75_50_3 =  4.4E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______75_50_3 =  1.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______75_50_3 =  1.7E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______75_50_3 =  5.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______75_50_3 =  6.5E+00                                  ! [atm] type: Q, ref: 2543
Hvpx______75_50_3 =  3.4E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______75_50_3 =  1.2E+00                                  ! [atm] type: Q, ref: 984
Hvpx______75_50_3 =  8.5E+00                                  ! [atm] type: Q, ref: 731
Hvpx______75_50_3 =  4.5E+00                                  ! [atm] type: Q, ref: 1162
Hvpx______75_50_3 =  5.8E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______75_50_3 =  3.6E+00                                  ! [atm] type: ?, ref: 2614
Hvpx______75_50_3 =  6.0E+00                                  ! [atm] type: ?, ref: 1500

! species:  triethylamine
! formula:  (C_2H_5)_3N
! trivial:  
! casrn:    121-44-8
! inchikey: ZMANZCXQSJIPKH-UHFFFAOYSA-N
Hvpx_____121_44_8 =  8.3E+00                                  ! [atm] type: L, ref: 3500
Hvpx_____121_44_8 =  8.3E+00                                  ! [atm] type: L, ref: 3245
Hvpx_____121_44_8 =  5.9E+00                                  ! [atm] type: L, ref: 3518
Hvpx_____121_44_8 =  1.1E+01 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3686
Hvpx_____121_44_8 =  8.3E+00                                  ! [atm] type: M, ref: 721
Hvpx_____121_44_8 =  7.7E+00                                  ! [atm] type: V, ref: 2614
Hvpx_____121_44_8 =  7.7E+00                                  ! [atm] type: V, ref: 636
Hvpx_____121_44_8 =  6.4E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____121_44_8 =  6.5E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____121_44_8 =  1.1E+02                                  ! [atm] type: Q, ref: 3682
Hvpx_____121_44_8 =  5.9E+01                                  ! [atm] type: Q, ref: 3728
Hvpx_____121_44_8 =  2.4E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____121_44_8 =  1.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____121_44_8 =  8.2E+00                                  ! [atm] type: Q, ref: 3689
Hvpx_____121_44_8 =  5.7E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____121_44_8 =  6.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____121_44_8 =  2.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____121_44_8 =  2.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____121_44_8 =  7.0E+00                                  ! [atm] type: Q, ref: 3731
Hvpx_____121_44_8 =  4.1E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____121_44_8 =  6.2E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____121_44_8 =  1.7E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____121_44_8 =  1.7E+01                                  ! [atm] type: Q, ref: 731
Hvpx_____121_44_8 =  8.9E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____121_44_8 =  8.2E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____121_44_8 =  6.4E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____121_44_8 =  5.9E+00                                  ! [atm] type: ?, ref: 1500

! species:  tributylamine
! formula:  C_{12}H_{27}N
! trivial:  
! casrn:    102-82-9
! inchikey: IMFACGCPASFAPR-UHFFFAOYSA-N
Hvpx_____102_82_9 =  1.5E+00 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____102_82_9 =  1.4E+00                                  ! [atm] type: M, ref: 1195
Hvpx_____102_82_9 =  8.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____102_82_9 =  1.3E+04                                  ! [atm] type: V, ref: 2614
Hvpx_____102_82_9 =  1.3E+04                                  ! [atm] type: V, ref: 636
Hvpx_____102_82_9 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____102_82_9 =  1.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____102_82_9 =  1.9E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____102_82_9 =  8.9E+00                                  ! [atm] type: ?, ref: 2440

! species:  N,N-dimethyl-1-dodecanamine
! formula:  C_{14}H_{31}N
! trivial:  
! casrn:    112-18-5
! inchikey: YWFWDNVOPHGWMX-UHFFFAOYSA-N
Hvpx_____112_18_5 =  1.4E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____112_18_5 =  1.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_18_5 =  2.7E+02                                  ! [atm] type: Q, ref: 3088
Hvpx_____112_18_5 =  1.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____112_18_5 =  1.6E+01                                  ! [atm] type: Q, ref: 3579

! species:  ethylenediamine
! formula:  H_2NCH_2CH_2NH_2
! trivial:  
! casrn:    107-15-3
! inchikey: PIICEJLVQHRZGT-UHFFFAOYSA-N
Hvpx_____107_15_3 =  3.1E-04 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584
Hvpx_____107_15_3 =  9.5E-05                                  ! [atm] type: M, ref: 776
Hvpx_____107_15_3 =  3.7E-03 * EXP(  -9200.*(1./T-1./298.15)) ! [atm] type: T, ref: 2381
Hvpx_____107_15_3 =  8.1E-05                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_15_3 =  2.4E-04                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_15_3 =  9.8E-05                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_15_3 =  4.0E-05                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_15_3 =  8.8E-04                                  ! [atm] type: Q, ref: 3731
Hvpx_____107_15_3 =  9.6E-05                                  ! [atm] type: ?, ref: 3586
Hvpx_____107_15_3 =  2.4E-03                                  ! [atm] type: ?, ref: 2440

! species:  2-propen-1-amine
! formula:  C_3H_7N
! trivial:  allylamine
! casrn:    107-11-9
! inchikey: VVJKKWFAADXIJK-UHFFFAOYSA-N
Hvpx_____107_11_9 =  5.4E-01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3685
Hvpx_____107_11_9 =  1.0E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____107_11_9 =  1.0E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____107_11_9 =  1.0E+00                                  ! [atm] type: C, ref: 2521
Hvpx_____107_11_9 =  7.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_11_9 =  2.3E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_11_9 =  1.2E-01                                  ! [atm] type: Q, ref: 2530

! species:  di-2-propenylamine
! formula:  C_6H_{11}N
! trivial:  diallylamine
! casrn:    124-02-7
! inchikey: DYUWTXWIYMHBQS-UHFFFAOYSA-N
Hvpx_____124_02_7 =  1.7E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____124_02_7 =  1.7E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____124_02_7 =  2.1E-01                                  ! [atm] type: Q, ref: 3586

! species:  hexamethyleneimine
! formula:  (CH_2)_6NH
! trivial:  
! casrn:    111-49-9
! inchikey: ZSIQJIWKELUFRJ-UHFFFAOYSA-N
Hvpx_____111_49_9 =  3.4E-01 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: T, ref: 722
Hvpx_____111_49_9 =  5.4E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____111_49_9 =  4.2E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_49_9 =  8.5E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_49_9 =  1.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_49_9 =  4.6E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____111_49_9 =  1.3E+00                                  ! [atm] type: Q, ref: 1145
Hvpx_____111_49_9 =  3.4E-01                                  ! [atm] type: ?, ref: 3586

! species:  cyclohexanamine
! formula:  C_6H_{13}N
! trivial:  cyclohexylamine
! casrn:    108-91-8
! inchikey: PAFZNILMFXTMIY-UHFFFAOYSA-N
Hvpx_____108_91_8 =  2.5E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_91_8 =  2.3E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____108_91_8 =  2.5E-01 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2123
Hvpx_____108_91_8 =  5.8E-01                                  ! [atm] type: V, ref: 2388
Hvpx_____108_91_8 =  1.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_91_8 =  7.5E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_91_8 =  8.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_91_8 =  1.3E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_91_8 =  5.8E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_91_8 =  4.5E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____108_91_8 =  2.3E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_91_8 =  5.8E-01                                  ! [atm] type: ?, ref: 1500

! species:  3-methylcyclohexylamine
! formula:  C_7H_{15}N
! trivial:  
! casrn:    6850-35-7
! inchikey: JYDYHSHPBDZRPU-UHFFFAOYSA-N
Hvpx____6850_35_7 =  5.1E-01                                  ! [atm] type: Q, ref: 2521

! species:  N-ethylcyclohexanamine
! formula:  C_8H_{17}N
! trivial:  N-ethylcyclohexylamine
! casrn:    5459-93-8
! inchikey: AGVKXDPPPSLISR-UHFFFAOYSA-N

! species:  N,N-dimethylcyclohexylamine
! formula:  C_8H_{17}N
! trivial:  
! casrn:    98-94-2
! inchikey: SVYKKECYCPFKGB-UHFFFAOYSA-N
Hvpx______98_94_2 =  1.3E+00                                  ! [atm] type: M, ref: 1195
Hvpx______98_94_2 =  1.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______98_94_2 =  4.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______98_94_2 =  1.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______98_94_2 =  6.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______98_94_2 =  1.3E+00                                  ! [atm] type: ?, ref: 3586

! species:  hexamethylenetetramine
! formula:  C_6H_{12}N_4
! trivial:  
! casrn:    100-97-0
! inchikey: VKYKSIONXSXAKP-UHFFFAOYSA-N
Hvpx_____100_97_0 =  8.9E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____100_97_0 =  8.9E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____100_97_0 =  9.4E-07                                  ! [atm] type: Q, ref: 2995
Hvpx_____100_97_0 =  5.9E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____100_97_0 =  1.0E-08                                  ! [atm] type: Q, ref: 2995
Hvpx_____100_97_0 =  4.2E-05                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_97_0 =  9.4E-05                                  ! [atm] type: Q, ref: 2530

! species:  1-decanamine
! formula:  C_{10}H_{23}N
! trivial:  
! casrn:    2016-57-1
! inchikey: MHZGKXUYDGKKIU-UHFFFAOYSA-N
Hvpx____2016_57_1 =  2.1E+00                                  ! [atm] type: V, ref: 3586
Hvpx____2016_57_1 =  3.7E+00                                  ! [atm] type: X, ref: yaws2001
Hvpx____2016_57_1 =  2.3E-01                                  ! [atm] type: Q, ref: 3586

! species:  N-cyclohexylcyclohexanamine
! formula:  C_{12}H_{23}N
! trivial:  dicyclohexylamine
! casrn:    101-83-7
! inchikey: XBPCUCUWBYBCDP-UHFFFAOYSA-N
Hvpx_____101_83_7 =  3.0E+00                                  ! [atm] type: Q, ref: 3088

! species:  1-dodecanamine
! formula:  C_{12}H_{27}N
! trivial:  
! casrn:    124-22-1
! inchikey: JRBPAEWTRLWTQC-UHFFFAOYSA-N
Hvpx_____124_22_1 =  1.5E+01                                  ! [atm] type: Q, ref: 3088

! species:  1-octadecanamine
! formula:  C_{18}H_{39}N
! trivial:  
! casrn:    124-30-1
! inchikey: REYJJPSVUYRZGE-UHFFFAOYSA-N
Hvpx_____124_30_1 =  5.2E+01                                  ! [atm] type: Q, ref: 3088

! species:  N,N-dioctyl-1-octanamine
! formula:  C_{24}H_{51}N
! trivial:  tri-N-octylamine
! casrn:    1116-76-3
! inchikey: XTAZYLNFDRKIHJ-UHFFFAOYSA-N
Hvpx____1116_76_3 =  7.7E+02                                  ! [atm] type: Q, ref: 3088

! species:  aminobenzene
! formula:  C_6H_7N
! trivial:  aniline
! casrn:    62-53-3
! inchikey: PAYRUJLWNCNPSJ-UHFFFAOYSA-N
Hvpx______62_53_3 =  1.1E-01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______62_53_3 =  1.2E-01                                  ! [atm] type: M, ref: 3404
Hvpx______62_53_3 =  1.1E-01                                  ! [atm] type: M, ref: 1195
Hvpx______62_53_3 =  4.6E-01                                  ! [atm] type: M, ref: 1484
Hvpx______62_53_3 =  1.1E-01                                  ! [atm] type: M, ref: 2525
Hvpx______62_53_3 =  5.1E-01                                  ! [atm] type: M, ref: 2944
Hvpx______62_53_3 =  1.3E-01                                  ! [atm] type: V, ref: 3404
Hvpx______62_53_3 =  1.2E-01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2123
Hvpx______62_53_3 =  9.2E-02                                  ! [atm] type: V, ref: 2614
Hvpx______62_53_3 =  9.1E-02                                  ! [atm] type: V, ref: 2165
Hvpx______62_53_3 =  7.6E+03                                  ! [atm] type: V, ref: 477
Hvpx______62_53_3 =  9.2E-02                                  ! [atm] type: V, ref: 636
Hvpx______62_53_3 =  1.0E-01                                  ! [atm] type: V, ref: 2439
Hvpx______62_53_3 =  1.6E-01                                  ! [atm] type: V, ref: 2971
Hvpx______62_53_3 =  9.4E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______62_53_3 =  7.6E+03                                  ! [atm] type: X, ref: howard89
Hvpx______62_53_3 =  9.5E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______62_53_3 =  6.6E+00                                  ! [atm] type: X, ref: howard89
Hvpx______62_53_3 =  2.3E-01                                  ! [atm] type: Q, ref: 3682
Hvpx______62_53_3 =  1.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______62_53_3 =  1.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______62_53_3 =  3.1E-02                                  ! [atm] type: Q, ref: 3406
Hvpx______62_53_3 =  9.9E-02                                  ! [atm] type: Q, ref: 3579
Hvpx______62_53_3 =  1.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______62_53_3 =  1.3E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______62_53_3 =  1.1E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______62_53_3 =  2.3E-01                                  ! [atm] type: Q, ref: 3731
Hvpx______62_53_3 =  1.8E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______62_53_3 =  1.1E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______62_53_3 =  6.6E+00                                  ! [atm] type: ?, ref: 2614
Hvpx______62_53_3 =  9.5E-02                                  ! [atm] type: ?, ref: 2440
Hvpx______62_53_3 =  1.3E-01                                  ! [atm] type: ?, ref: 1500

! species:  benzylamine
! formula:  C_7H_9N
! trivial:  
! casrn:    100-46-9
! inchikey: WGQKYBSKWIADBV-UHFFFAOYSA-N
Hvpx_____100_46_9 =  7.7E-01                                  ! [atm] type: Q, ref: 3731
Hvpx_____100_46_9 =  1.6E+00                                  ! [atm] type: ?, ref: 2440

! species:  2-methylbenzenamine
! formula:  C_7H_9N
! trivial:  2-methylaniline; $o$-toluidine
! casrn:    95-53-4
! inchikey: RNVCVTLRINQCPJ-UHFFFAOYSA-N
Hvpx______95_53_4 =  1.1E-01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______95_53_4 =  1.8E-01                                  ! [atm] type: M, ref: 3404
Hvpx______95_53_4 =  1.1E-01                                  ! [atm] type: M, ref: 1195
Hvpx______95_53_4 =  1.4E-01                                  ! [atm] type: V, ref: 3404
Hvpx______95_53_4 =  5.2E-02                                  ! [atm] type: V, ref: 2614
Hvpx______95_53_4 =  1.3E-01                                  ! [atm] type: V, ref: 2165
Hvpx______95_53_4 =  5.2E-02                                  ! [atm] type: V, ref: 636
Hvpx______95_53_4 =  5.2E-02                                  ! [atm] type: V, ref: 636
Hvpx______95_53_4 =  1.6E-01                                  ! [atm] type: V, ref: 2971
Hvpx______95_53_4 =  1.2E-01                                  ! [atm] type: R, ref: 1501
Hvpx______95_53_4 =  1.3E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______95_53_4 =  1.8E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______95_53_4 =  2.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______95_53_4 =  1.7E-01                                  ! [atm] type: Q, ref: 3406
Hvpx______95_53_4 =  1.2E-01                                  ! [atm] type: Q, ref: 3579
Hvpx______95_53_4 =  1.8E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______95_53_4 =  5.3E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______95_53_4 =  3.3E-01                                  ! [atm] type: Q, ref: 3731
Hvpx______95_53_4 =  1.4E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______95_53_4 =  1.2E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______95_53_4 =  2.8E-01                                  ! [atm] type: Q, ref: 984
Hvpx______95_53_4 =  1.1E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______95_53_4 =  1.3E-01                                  ! [atm] type: ?, ref: 2440

! species:  3-methylbenzenamine
! formula:  C_7H_9N
! trivial:  3-methylaniline; $m$-toluidine
! casrn:    108-44-1
! inchikey: JJYPMNFTHPTTDI-UHFFFAOYSA-N
Hvpx_____108_44_1 =  9.7E-02 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_44_1 =  1.7E-01                                  ! [atm] type: M, ref: 3404
Hvpx_____108_44_1 =  9.2E-02                                  ! [atm] type: M, ref: 1195
Hvpx_____108_44_1 =  1.4E-01                                  ! [atm] type: V, ref: 3404
Hvpx_____108_44_1 =  1.4E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____108_44_1 =  1.4E-01                                  ! [atm] type: V, ref: 636
Hvpx_____108_44_1 =  1.1E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_44_1 =  1.2E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_44_1 =  2.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_44_1 =  1.2E-01                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_44_1 =  1.2E-01                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_44_1 =  1.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_44_1 =  1.4E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_44_1 =  3.7E-01                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_44_1 =  8.5E-02                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_44_1 =  9.2E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_44_1 =  1.5E-01                                  ! [atm] type: ?, ref: 2440

! species:  4-methylbenzenamine
! formula:  C_7H_9N
! trivial:  4-methylaniline; $p$-toluidine
! casrn:    106-49-0
! inchikey: RZXMPPFPUUCRFN-UHFFFAOYSA-N
Hvpx_____106_49_0 =  1.9E-01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____106_49_0 =  1.2E-01                                  ! [atm] type: M, ref: 3404
Hvpx_____106_49_0 =  4.2E-02                                  ! [atm] type: M, ref: 1195
Hvpx_____106_49_0 =  1.2E-01                                  ! [atm] type: M, ref: 2525
Hvpx_____106_49_0 =  3.6E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____106_49_0 =  3.6E-01                                  ! [atm] type: V, ref: 636
Hvpx_____106_49_0 =  3.5E-01                                  ! [atm] type: V, ref: 2971
Hvpx_____106_49_0 =  1.1E-01                                  ! [atm] type: R, ref: 1501
Hvpx_____106_49_0 =  1.2E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____106_49_0 =  2.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_49_0 =  1.4E-01                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_49_0 =  1.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_49_0 =  1.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_49_0 =  1.4E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_49_0 =  8.9E-02                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_49_0 =  2.8E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____106_49_0 =  1.1E-01                                  ! [atm] type: ?, ref: 3586

! species:  2-ethylaniline
! formula:  C_8H_{11}N
! trivial:  $o$-ethylaniline
! casrn:    578-54-1
! inchikey: MLPVBIWIRCKMJV-UHFFFAOYSA-N
Hvpx_____578_54_1 =  2.1E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____578_54_1 =  2.0E-01                                  ! [atm] type: Q, ref: 3088

! species:  4-ethylaniline
! formula:  C_8H_{11}N
! trivial:  $p$-ethylaniline
! casrn:    589-16-2
! inchikey: HRXZRAXKKNUKRF-UHFFFAOYSA-N
Hvpx_____589_16_2 =  1.8E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____589_16_2 =  1.8E-01                                  ! [atm] type: V, ref: 636

! species:  2,4-dimethylbenzenamine
! formula:  C_8H_{11}N
! trivial:  2,4-dimethylaniline; 2,4-xylidine
! casrn:    95-68-1
! inchikey: CZZZABOKJQXEBO-UHFFFAOYSA-N
Hvpx______95_68_1 =  2.0E-01 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______95_68_1 =  2.3E-01                                  ! [atm] type: V, ref: 2614
Hvpx______95_68_1 =  3.9E+00                                  ! [atm] type: V, ref: 2165
Hvpx______95_68_1 =  2.3E-01                                  ! [atm] type: V, ref: 636
Hvpx______95_68_1 =  1.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  3,4-dimethylbenzenamine
! formula:  C_8H_{11}N
! trivial:  3,4-dimethylaniline; 3,4-xylidine
! casrn:    95-64-7
! inchikey: DOLQYFPDPKPQSS-UHFFFAOYSA-N
Hvpx______95_64_7 =  1.0E-01                                  ! [atm] type: M, ref: 2525
Hvpx______95_64_7 =  9.0E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______95_64_7 =  3.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______95_64_7 =  8.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______95_64_7 =  3.5E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______95_64_7 =  6.0E-02                                  ! [atm] type: Q, ref: 3764
Hvpx______95_64_7 =  1.0E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,5-dimethylbenzenamine
! formula:  C_8H_{11}N
! trivial:  2,5-dimethylaniline; 2,5-xylidine
! casrn:    95-78-3
! inchikey: VOWZNBNDMFLQGM-UHFFFAOYSA-N
Hvpx______95_78_3 =  2.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx______95_78_3 =  3.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______95_78_3 =  1.4E-01                                  ! [atm] type: Q, ref: 3088
Hvpx______95_78_3 =  7.1E-01                                  ! [atm] type: Q, ref: 2530

! species:  2,6-dimethylbenzenamine
! formula:  C_8H_{11}N
! trivial:  2,6-dimethylaniline; 2,6-xylidine
! casrn:    87-62-7
! inchikey: UFFBMTHBGFGIHF-UHFFFAOYSA-N
Hvpx______87_62_7 =  1.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx______87_62_7 =  1.4E-01                                  ! [atm] type: V, ref: 3088
Hvpx______87_62_7 =  9.4E+00                                  ! [atm] type: V, ref: 2614
Hvpx______87_62_7 =  9.4E+00                                  ! [atm] type: V, ref: 636
Hvpx______87_62_7 =  2.0E-01                                  ! [atm] type: R, ref: 1501
Hvpx______87_62_7 =  1.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______87_62_7 =  1.7E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______87_62_7 =  3.2E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______87_62_7 =  2.6E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______87_62_7 =  1.3E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______87_62_7 =  3.8E-01                                  ! [atm] type: Q, ref: 984

! species:  2,4,5-trimethylbenzenamine
! formula:  C_9H_{13}N
! trivial:  2,4,5-trimethylaniline
! casrn:    137-17-7
! inchikey: BMIPMKQAAJKBKP-UHFFFAOYSA-N
Hvpx_____137_17_7 =  1.4E-01                                  ! [atm] type: M, ref: 2525
Hvpx_____137_17_7 =  9.9E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____137_17_7 =  7.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____137_17_7 =  9.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____137_17_7 =  1.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____137_17_7 =  1.4E-01                                  ! [atm] type: ?, ref: 3586

! species:  2-(1-methylethyl)-benzenamine
! formula:  C_9H_{13}N
! trivial:  2-isopropylaniline
! casrn:    643-28-7
! inchikey: YKOLZVXSPGIIBJ-UHFFFAOYSA-N

! species:  2,6-diethylbenzenamine
! formula:  C_{10}H_{15}N
! trivial:  2,6-diethylaniline
! casrn:    579-66-8
! inchikey: FOYHNROGBXVLLX-UHFFFAOYSA-N
Hvpx_____579_66_8 =  6.2E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____579_66_8 =  6.1E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____579_66_8 =  1.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____579_66_8 =  6.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____579_66_8 =  8.0E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____579_66_8 =  6.2E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____579_66_8 =  1.1E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____579_66_8 =  6.2E-02                                  ! [atm] type: ?, ref: 2440

! species:  1,2-benzenediamine
! formula:  C_6H_8N_2
! trivial:  $o$-phenylenediamine
! casrn:    95-54-5
! inchikey: GEYOCULIXLDCMW-UHFFFAOYSA-N
Hvpx______95_54_5 =  4.0E-04                                  ! [atm] type: V, ref: 3586
Hvpx______95_54_5 =  4.0E-04                                  ! [atm] type: V, ref: 3088
Hvpx______95_54_5 =  7.2E-03                                  ! [atm] type: V, ref: 2165
Hvpx______95_54_5 =  5.5E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______95_54_5 =  1.9E-04                                  ! [atm] type: Q, ref: 3586
Hvpx______95_54_5 =  4.7E-03                                  ! [atm] type: Q, ref: 3406
Hvpx______95_54_5 =  5.5E-03                                  ! [atm] type: Q, ref: 3579
Hvpx______95_54_5 =  4.7E-04                                  ! [atm] type: Q, ref: 2521

! species:  1,3-benzenediamine
! formula:  C_6H_8N_2
! trivial:  $m$-phenylenediamine
! casrn:    108-45-2
! inchikey: WZCQRUWWHSTZEM-UHFFFAOYSA-N
Hvpx_____108_45_2 =  6.9E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____108_45_2 =  7.2E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____108_45_2 =  4.0E-05                                  ! [atm] type: V, ref: 2165
Hvpx_____108_45_2 =  7.9E-05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_45_2 =  2.0E-04                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_45_2 =  2.0E-03                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_45_2 =  2.5E-04                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_45_2 =  4.9E-06                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_45_2 =  1.5E-05                                  ! [atm] type: Q, ref: 2530

! species:  1,4-benzenediamine
! formula:  C_6H_8N_2
! trivial:  $p$-phenylenediamine
! casrn:    106-50-3
! inchikey: CBCKQZAAMUWICA-UHFFFAOYSA-N
Hvpx_____106_50_3 =  7.7E-04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_50_3 =  3.7E-05                                  ! [atm] type: Q, ref: 3088
Hvpx_____106_50_3 =  3.3E-03                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_50_3 =  2.5E-04                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-1,3-benzenediamine
! formula:  C_7H_{10}N_2
! trivial:  
! casrn:    823-40-5
! inchikey: RLYCRLGLCUXUPO-UHFFFAOYSA-N
Hvpx_____823_40_5 =  4.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  2-methyl-1,4-benzenediamine
! formula:  C_7H_{10}N_2
! trivial:  
! casrn:    95-70-5
! inchikey: OBCSAIDCZQSFQH-UHFFFAOYSA-N
Hvpx______95_70_5 =  4.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  3-methyl-1,2-benzenediamine
! formula:  C_7H_{10}N_2
! trivial:  2,3-diaminotoluene
! casrn:    2687-25-4
! inchikey: AXNUJYHFQHQZBE-UHFFFAOYSA-N
Hvpx____2687_25_4 =  5.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  4-methyl-1,3-benzenediamine
! formula:  C_7H_{10}N_2
! trivial:  toluene-2,4-diamine
! casrn:    95-80-7
! inchikey: VOZKAJLKRJDJLL-UHFFFAOYSA-N
Hvpx______95_80_7 =  5.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  3,5-diaminotoluene
! formula:  C_7H_{10}N_2
! trivial:  
! casrn:    108-71-4
! inchikey: LVNDUJYMLJDECN-UHFFFAOYSA-N
Hvpx_____108_71_4 =  4.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  phenylhydrazine
! formula:  C_6H_8N_2
! trivial:  
! casrn:    100-63-0
! inchikey: HKOOXMFOFWEVGF-UHFFFAOYSA-N
Hvpx_____100_63_0 =  2.4E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____100_63_0 =  1.6E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____100_63_0 =  5.7E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_63_0 =  8.0E-04                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_63_0 =  6.6E-05                                  ! [atm] type: Q, ref: 2530

! species:  (methylamino)-benzene
! formula:  C_7H_9N
! trivial:  N-methylaniline
! casrn:    100-61-8
! inchikey: AFBPFSWMIHJQDM-UHFFFAOYSA-N
Hvpx_____100_61_8 =  6.3E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____100_61_8 =  6.3E-01                                  ! [atm] type: V, ref: 2165
Hvpx_____100_61_8 =  4.9E-01                                  ! [atm] type: R, ref: 1501
Hvpx_____100_61_8 =  1.8E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____100_61_8 =  1.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_61_8 =  3.6E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_61_8 =  9.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_61_8 =  8.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____100_61_8 =  2.8E-01                                  ! [atm] type: Q, ref: 3731
Hvpx_____100_61_8 =  7.4E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____100_61_8 =  1.2E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____100_61_8 =  2.0E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____100_61_8 =  4.9E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____100_61_8 =  6.3E-01                                  ! [atm] type: ?, ref: 2440

! species:  (ethylamino)-benzene
! formula:  C_8H_{11}N
! trivial:  N-ethylaniline
! casrn:    103-69-5
! inchikey: OJGMBLNIHDZDGS-UHFFFAOYSA-N
Hvpx_____103_69_5 =  6.8E-01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____103_69_5 =  5.4E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____103_69_5 =  1.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____103_69_5 =  4.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____103_69_5 =  8.9E-01                                  ! [atm] type: Q, ref: 3088
Hvpx_____103_69_5 =  7.8E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____103_69_5 =  5.7E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____103_69_5 =  8.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____103_69_5 =  1.8E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____103_69_5 =  5.4E-01                                  ! [atm] type: ?, ref: 3586

! species:  (dimethylamino)-benzene
! formula:  C_8H_{11}N
! trivial:  N,N-dimethylaniline
! casrn:    121-69-7
! inchikey: JLTDJTHDQAWBAV-UHFFFAOYSA-N
Hvpx_____121_69_7 =  3.2E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____121_69_7 =  6.4E+00                                  ! [atm] type: V, ref: 2614
Hvpx_____121_69_7 =  6.4E+00                                  ! [atm] type: V, ref: 636
Hvpx_____121_69_7 =  4.3E+00                                  ! [atm] type: V, ref: 1145
Hvpx_____121_69_7 =  3.5E+00                                  ! [atm] type: V, ref: 2971
Hvpx_____121_69_7 =  5.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____121_69_7 =  5.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____121_69_7 =  4.0E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____121_69_7 =  2.2E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____121_69_7 =  2.2E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____121_69_7 =  5.1E-01                                  ! [atm] type: Q, ref: 1145
Hvpx_____121_69_7 =  5.6E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____121_69_7 =  4.0E+00                                  ! [atm] type: ?, ref: 1500

! species:  benzeneethanamine
! formula:  C_8H_{11}N
! trivial:  2-phenylethylamine
! casrn:    64-04-0
! inchikey: BHHGXPLMPWCGHP-UHFFFAOYSA-N
Hvpx______64_04_0 =  4.5E-02                                  ! [atm] type: Q, ref: 3088

! species:  2,3-dimethylbenzenamine
! formula:  C_8H_{11}N
! trivial:  2,3-xylidine
! casrn:    87-59-2
! inchikey: VVAKEQGKZNKUSU-UHFFFAOYSA-N
Hvpx______87_59_2 =  1.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  3,5-dimethylbenzenamine
! formula:  C_8H_{11}N
! trivial:  
! casrn:    108-69-0
! inchikey: MKARNSWMMBGSHX-UHFFFAOYSA-N
Hvpx_____108_69_0 =  1.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  dimethylaniline
! formula:  C_8H_{11}N
! trivial:  xylidine
! casrn:    1300-73-8
! inchikey: CDULGHZNHURECF-UHFFFAOYSA-N
Hvpx____1300_73_8 =  1.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  phenelzine
! formula:  C_8H_{12}N_2
! trivial:  
! casrn:    51-71-8
! inchikey: RMUCZJUITONUFY-UHFFFAOYSA-N
Hvpx______51_71_8 =  1.9E-04                                  ! [atm] type: Q, ref: 3088

! species:  N,N-dimethyl-1,4-benzenediamine
! formula:  C_8H_{12}N_2
! trivial:  
! casrn:    99-98-9
! inchikey: BZORFPDSXLZWJF-UHFFFAOYSA-N
Hvpx______99_98_9 =  1.7E-03                                  ! [atm] type: Q, ref: 3088

! species:  2,4,6-trimethylbenzenamine
! formula:  C_9H_{13}N
! trivial:  2,4,6-trimethylaniline
! casrn:    88-05-1
! inchikey: KWVPRPSXBZNOHS-UHFFFAOYSA-N
Hvpx______88_05_1 =  1.5E-01                                  ! [atm] type: Q, ref: 3088

! species:  N-ethyl-3-methylbenzenamine
! formula:  C_9H_{13}N
! trivial:  
! casrn:    102-27-2
! inchikey: GUYMMHOQXYZMJQ-UHFFFAOYSA-N
Hvpx_____102_27_2 =  3.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  N-(1-methylethyl)benzenamine
! formula:  C_9H_{13}N
! trivial:  
! casrn:    768-52-5
! inchikey: FRCFWPVMFJMNDP-UHFFFAOYSA-N
Hvpx_____768_52_5 =  4.1E-01                                  ! [atm] type: Q, ref: 3088

! species:  2-ethyl-6-methylbenzenamine
! formula:  C_9H_{13}N
! trivial:  
! casrn:    24549-06-2
! inchikey: JJVKJJNCIILLRP-UHFFFAOYSA-N
Hvpx___24549_06_2 =  1.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___24549_06_2 =  2.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___24549_06_2 =  5.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___24549_06_2 =  6.5E-01                                  ! [atm] type: Q, ref: 2995

! species:  N,N-dimethylbenzylamine
! formula:  C_9H_{13}N
! trivial:  
! casrn:    103-83-3
! inchikey: XXBDWLFCJWSEKW-UHFFFAOYSA-N

! species:  N,N,4-trimethylbenzenamine
! formula:  C_9H_{13}N
! trivial:  
! casrn:    99-97-8
! inchikey: GYVGXEWAOAAJEU-UHFFFAOYSA-N
Hvpx______99_97_8 =  2.7E+00                                  ! [atm] type: V, ref: 3586
Hvpx______99_97_8 =  5.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______99_97_8 =  3.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______99_97_8 =  1.4E+01                                  ! [atm] type: Q, ref: 2530

! species:  N,N'-di-{\it tert}-butylethylenediamine
! formula:  C_{10}H_{24}N_2
! trivial:  
! casrn:    4062-60-6
! inchikey: KGHYGBGIWLNFAV-UHFFFAOYSA-N
Hvpx____4062_60_6 =  1.5E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____4062_60_6 =  2.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____4062_60_6 =  5.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____4062_60_6 =  4.5E-02                                  ! [atm] type: Q, ref: 2995

! species:  (diethylamino)-benzene
! formula:  C_{10}H_{15}N
! trivial:  N,N-diethylaniline
! casrn:    91-66-7
! inchikey: GGSUCNLOZRCGPQ-UHFFFAOYSA-N
Hvpx______91_66_7 =  8.2E+00 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______91_66_7 =  1.1E+01                                  ! [atm] type: V, ref: 3586
Hvpx______91_66_7 =  1.1E+01                                  ! [atm] type: V, ref: 3088
Hvpx______91_66_7 =  1.2E+00                                  ! [atm] type: V, ref: 2614
Hvpx______91_66_7 =  1.2E+00                                  ! [atm] type: V, ref: 636
Hvpx______91_66_7 =  2.3E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______91_66_7 =  5.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______91_66_7 =  9.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______91_66_7 =  2.2E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______91_66_7 =  1.1E-01                                  ! [atm] type: ?, ref: 2440

! species:  1-naphthylamine
! formula:  C_{10}H_9N
! trivial:  
! casrn:    134-32-7
! inchikey: RUFPHBVGCFYCNW-UHFFFAOYSA-N
Hvpx_____134_32_7 =  3.4E-03                                  ! [atm] type: M, ref: 1195
Hvpx_____134_32_7 =  2.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____134_32_7 =  6.2E-03                                  ! [atm] type: R, ref: 1501
Hvpx_____134_32_7 =  8.8E-04                                  ! [atm] type: Q, ref: 3730
Hvpx_____134_32_7 =  2.7E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____134_32_7 =  1.8E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____134_32_7 =  6.6E-03                                  ! [atm] type: Q, ref: 2530
Hvpx_____134_32_7 =  4.6E-03                                  ! [atm] type: Q, ref: 2543
Hvpx_____134_32_7 =  1.2E-03                                  ! [atm] type: Q, ref: 984
Hvpx_____134_32_7 =  6.1E-03                                  ! [atm] type: ?, ref: 3586

! species:  2-naphthylamine
! formula:  C_{10}H_9N
! trivial:  
! casrn:    91-59-8
! inchikey: JBIJLHTVPXGSAM-UHFFFAOYSA-N
Hvpx______91_59_8 =  4.5E-03                                  ! [atm] type: R, ref: 1501
Hvpx______91_59_8 =  4.7E-03                                  ! [atm] type: Q, ref: 3730
Hvpx______91_59_8 =  2.7E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______91_59_8 =  6.8E-03                                  ! [atm] type: Q, ref: 2521
Hvpx______91_59_8 =  5.5E-03                                  ! [atm] type: Q, ref: 2530
Hvpx______91_59_8 =  4.6E-03                                  ! [atm] type: Q, ref: 2543
Hvpx______91_59_8 =  1.2E-03                                  ! [atm] type: Q, ref: 984
Hvpx______91_59_8 =  4.5E-03                                  ! [atm] type: ?, ref: 3586
Hvpx______91_59_8 =  4.5E-03                                  ! [atm] type: ?, ref: 3088

! species:  1,5-naphthalenediamine
! formula:  C_{10}H_{10}N_2
! trivial:  
! casrn:    2243-62-1
! inchikey: KQSABULTKYLFEV-UHFFFAOYSA-N
Hvpx____2243_62_1 =  3.7E-06                                  ! [atm] type: Q, ref: 3088

! species:  phentermine
! formula:  C_{10}H_{15}N
! trivial:  
! casrn:    122-09-8
! inchikey: DHHVAGZRUROJKS-UHFFFAOYSA-N
Hvpx_____122_09_8 =  7.7E-02                                  ! [atm] type: Q, ref: 3088

! species:  N,N-diethyl-1,4-benzenediamine
! formula:  C_{10}H_{16}N_2
! trivial:  
! casrn:    93-05-0
! inchikey: QNGVNLMMEQUVQK-UHFFFAOYSA-N
Hvpx______93_05_0 =  2.9E-03                                  ! [atm] type: Q, ref: 3088

! species:  3,5-diethyltoluene-2,6-diamine
! formula:  C_{11}H_{18}N_2
! trivial:  
! casrn:    2095-01-4
! inchikey: RQEOBXYYEPMCPJ-UHFFFAOYSA-N
Hvpx____2095_01_4 =  8.7E-05                                  ! [atm] type: Q, ref: 2995
Hvpx____2095_01_4 =  8.0E-05                                  ! [atm] type: Q, ref: 2995
Hvpx____2095_01_4 =  8.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____2095_01_4 =  2.6E-03                                  ! [atm] type: Q, ref: 2995

! species:  2,4-diethyl-6-methylbenzene-1,3-diamine
! formula:  C_{11}H_{18}N_2
! trivial:  
! casrn:    2095-02-5
! inchikey: PISLZQACAJMAIO-UHFFFAOYSA-N
Hvpx____2095_02_5 =  8.7E-05                                  ! [atm] type: Q, ref: 2995
Hvpx____2095_02_5 =  7.8E-05                                  ! [atm] type: Q, ref: 2995
Hvpx____2095_02_5 =  8.7E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____2095_02_5 =  2.6E-03                                  ! [atm] type: Q, ref: 2995

! species:  diphenylamine
! formula:  C_{12}H_{11}N
! trivial:  
! casrn:    122-39-4
! inchikey: DMBHHRLKUKUOEG-UHFFFAOYSA-N
Hvpx_____122_39_4 =  1.5E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____122_39_4 =  1.5E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____122_39_4 =  1.9E-02                                  ! [atm] type: V, ref: 2614
Hvpx_____122_39_4 =  1.9E-02                                  ! [atm] type: V, ref: 636
Hvpx_____122_39_4 =  1.6E-01                                  ! [atm] type: V, ref: 1145
Hvpx_____122_39_4 =  3.6E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____122_39_4 =  1.6E-01                                  ! [atm] type: X, ref: howard91
Hvpx_____122_39_4 =  1.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____122_39_4 =  3.6E-01                                  ! [atm] type: Q, ref: 3579
Hvpx_____122_39_4 =  1.8E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____122_39_4 =  5.8E-02                                  ! [atm] type: Q, ref: 1145

! species:  benzidine
! formula:  C_{12}H_{12}N_2
! trivial:  
! casrn:    92-87-5
! inchikey: HFACYLZERDEVSX-UHFFFAOYSA-N
Hvpx______92_87_5 =  2.5E-07                                  ! [atm] type: V, ref: 2614
Hvpx______92_87_5 =  2.1E-06                                  ! [atm] type: V, ref: 477
Hvpx______92_87_5 =  2.5E-07                                  ! [atm] type: V, ref: 636
Hvpx______92_87_5 =  2.2E-02                                  ! [atm] type: C, ref: 636
Hvpx______92_87_5 =  2.9E-06                                  ! [atm] type: Q, ref: 3088

! species:  1,1-diphenylhydrazine
! formula:  C_{12}H_{12}N_2
! trivial:  
! casrn:    530-50-7
! inchikey: YHYKLKNNBYLTQY-UHFFFAOYSA-N
Hvpx_____530_50_7 =  2.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  1,2-diphenylhydrazine
! formula:  C_{12}H_{12}N_2
! trivial:  N,N'-bianiline
! casrn:    122-66-7
! inchikey: YBQZXXMEJHZYMB-UHFFFAOYSA-N
Hvpx_____122_66_7 =  2.6E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____122_66_7 =  2.7E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____122_66_7 =  1.9E-04                                  ! [atm] type: V, ref: 636
Hvpx_____122_66_7 =  2.3E-03                                  ! [atm] type: Q, ref: 3586

! species:  4-(phenylazo)-benzenamine
! formula:  C_{12}H_{11}N_3
! trivial:  4-aminoazobenzene
! casrn:    60-09-3
! inchikey: QPQKUYVSJWQSDY-UHFFFAOYSA-N
Hvpx______60_09_3 =  4.8E-06                                  ! [atm] type: Q, ref: 3088
Hvpx______60_09_3 =  5.9E-04                                  ! [atm] type: Q, ref: 3406
Hvpx______60_09_3 =  2.9E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______60_09_3 =  1.7E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______60_09_3 =  7.4E-07                                  ! [atm] type: Q, ref: 2995
Hvpx______60_09_3 =  1.6E-03                                  ! [atm] type: Q, ref: 2995

! species:  azobenzene
! formula:  C_{12}H_{10}N_2
! trivial:  
! casrn:    103-33-3
! inchikey: DMLAVOWQYNRWNQ-UHFFFAOYSA-N
Hvpx_____103_33_3 =  7.5E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____103_33_3 =  7.7E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____103_33_3 =  2.1E-01                                  ! [atm] type: Q, ref: 3586

! species:  2-aminobiphenyl
! formula:  C_{12}H_{11}N
! trivial:  
! casrn:    90-41-5
! inchikey: TWBPWBPGNQWFSJ-UHFFFAOYSA-N
Hvpx______90_41_5 =  8.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  4-aminobiphenyl
! formula:  C_{12}H_{11}N
! trivial:  
! casrn:    92-67-1
! inchikey: DMVOXQPQNTYEKQ-UHFFFAOYSA-N
Hvpx______92_67_1 =  8.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  N-phenyl-1,4-benzenediamine
! formula:  C_{12}H_{12}N_2
! trivial:  $p$-aminodiphenylamine
! casrn:    101-54-2
! inchikey: ATGUVEKSASEFFO-UHFFFAOYSA-N
Hvpx_____101_54_2 =  3.7E-04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____101_54_2 =  2.0E-05                                  ! [atm] type: Q, ref: 3088
Hvpx_____101_54_2 =  9.3E-04                                  ! [atm] type: Q, ref: 3406
Hvpx_____101_54_2 =  1.5E-04                                  ! [atm] type: Q, ref: 3579

! species:  2-fluorenamine
! formula:  C_{13}H_{11}N
! trivial:  
! casrn:    153-78-6
! inchikey: CFRFHWQYWJMEJN-UHFFFAOYSA-N
Hvpx_____153_78_6 =  2.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  4,4'-methylenebisbenzenamine
! formula:  C_{13}H_{14}N_2
! trivial:  
! casrn:    101-77-9
! inchikey: YBRVSVVVWCFQMG-UHFFFAOYSA-N
Hvpx_____101_77_9 =  2.9E-06                                  ! [atm] type: V, ref: 3088

! species:  2-anthracenamine
! formula:  C_{14}H_{11}N
! trivial:  
! casrn:    613-13-8
! inchikey: YCSBALJAGZKWFF-UHFFFAOYSA-N
Hvpx_____613_13_8 =  1.7E-02                                  ! [atm] type: Q, ref: 3088

! species:  3,3'-dimethylbenzidine
! formula:  C_{14}H_{16}N_2
! trivial:  
! casrn:    119-93-7
! inchikey: NUIURNJTPRWVAP-UHFFFAOYSA-N
Hvpx_____119_93_7 =  3.5E-06                                  ! [atm] type: Q, ref: 3088

! species:  N,N-dimethyl-4-(phenylazo)-benzenamine
! formula:  C_{14}H_{15}N_3
! trivial:  
! casrn:    60-11-7
! inchikey: JCYPECIVGRXBMO-UHFFFAOYSA-N
Hvpx______60_11_7 =  3.9E-04                                  ! [atm] type: V, ref: 3088
Hvpx______60_11_7 =  1.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______60_11_7 =  1.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______60_11_7 =  6.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______60_11_7 =  5.4E-02                                  ! [atm] type: Q, ref: 2995

! species:  $o$-aminoazotoluene
! formula:  C_{14}H_{15}N_3
! trivial:  
! casrn:    97-56-3
! inchikey: PFRYFZZSECNQOL-UHFFFAOYSA-N
Hvpx______97_56_3 =  1.8E-03                                  ! [atm] type: V, ref: 3586
Hvpx______97_56_3 =  1.4E-03                                  ! [atm] type: Q, ref: 3586

! species:  N-ethyl-N-phenylbenzenemethanamine
! formula:  C_{15}H_{17}N
! trivial:  
! casrn:    92-59-1
! inchikey: HSZCJVZRHXPCIA-UHFFFAOYSA-N
Hvpx______92_59_1 =  5.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______92_59_1 =  5.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______92_59_1 =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______92_59_1 =  8.2E-02                                  ! [atm] type: Q, ref: 2995

! species:  N-(1-methylethyl)-N'-phenyl-1,4-benzenediamine
! formula:  C_{15}H_{18}N_2
! trivial:  4-(iso-propylamino)diphenylamine
! casrn:    101-72-4
! inchikey: OUBMGJOQLXMSNT-UHFFFAOYSA-N
Hvpx_____101_72_4 =  7.7E-05                                  ! [atm] type: Q, ref: 3088

! species:  4,4'-methylene-bis-(N-methylaniline)
! formula:  C_{15}H_{18}N_2
! trivial:  
! casrn:    1807-55-2
! inchikey: ZMVMYBGDGJLCHV-UHFFFAOYSA-N
Hvpx____1807_55_2 =  1.6E-05                                  ! [atm] type: Q, ref: 3088

! species:  C.I. Food Yellow 10
! formula:  C_{16}H_{13}N_3
! trivial:  
! casrn:    85-84-7
! inchikey: KLCDQSGLLRINHY-UHFFFAOYSA-N
Hvpx______85_84_7 =  2.8E-05                                  ! [atm] type: Q, ref: 3088

! species:  3,3',5,5'-tetramethylbenzidine
! formula:  C_{16}H_{20}N_2
! trivial:  
! casrn:    54827-17-7
! inchikey: UAIUNKRWKOVEES-UHFFFAOYSA-N
Hvpx___54827_17_7 =  4.3E-06                                  ! [atm] type: Q, ref: 3088

! species:  N-phenyl-1-naphthalenamine
! formula:  C_{16}H_{13}N
! trivial:  
! casrn:    90-30-2
! inchikey: XQVWYOYUZDUNRW-UHFFFAOYSA-N
Hvpx______90_30_2 =  7.7E-03                                  ! [atm] type: V, ref: 3088
Hvpx______90_30_2 =  5.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______90_30_2 =  1.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______90_30_2 =  4.7E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______90_30_2 =  2.0E-03                                  ! [atm] type: Q, ref: 2995

! species:  yellow OB
! formula:  C_{17}H_{15}N_3
! trivial:  
! casrn:    131-79-3
! inchikey: BWLVSYUUKOQICP-FMQUCBEESA-N
Hvpx_____131_79_3 =  3.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  auramine
! formula:  C_{17}H_{21}N_3
! trivial:  
! casrn:    492-80-8
! inchikey: JPIYZTWMUGTEHX-UHFFFAOYSA-N
Hvpx_____492_80_8 =  4.5E-03                                  ! [atm] type: V, ref: 3088

! species:  benzphetamine
! formula:  C_{17}H_{21}N
! trivial:  
! casrn:    156-08-1
! inchikey: YXKTVDFXDRQTKV-UHFFFAOYSA-N
Hvpx_____156_08_1 =  2.3E-02                                  ! [atm] type: Q, ref: 3088

! species:  4,4'-methylenebis(N,N-dimethylbenzenamine)
! formula:  C_{17}H_{22}N_2
! trivial:  bis(p-dimethylamino)phenylmethane
! casrn:    101-61-1
! inchikey: JNRLEMMIVRBKJE-UHFFFAOYSA-N
Hvpx_____101_61_1 =  6.6E-03                                  ! [atm] type: Q, ref: 3088

! species:  phencyclidine
! formula:  C_{17}H_{25}N
! trivial:  
! casrn:    77-10-1
! inchikey: JTJMJGYZQZDUJJ-UHFFFAOYSA-N
Hvpx______77_10_1 =  3.0E-01                                  ! [atm] type: Q, ref: 3088

! species:  N,N'-diphenyl-1,4-benzenediamine
! formula:  C_{18}H_{16}N_2
! trivial:  
! casrn:    74-31-7
! inchikey: UTGQNNCQYDRXCH-UHFFFAOYSA-N
Hvpx______74_31_7 =  1.2E-05                                  ! [atm] type: Q, ref: 3088

! species:  N-(1,3-dimethylbutyl)-N'-phenyl-1,4-phenylenediamine
! formula:  C_{18}H_{24}N_2
! trivial:  
! casrn:    793-24-8
! inchikey: ZZMVLMVFYMGSMY-UHFFFAOYSA-N
Hvpx_____793_24_8 =  1.9E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____793_24_8 =  1.4E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____793_24_8 =  1.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____793_24_8 =  2.4E-04                                  ! [atm] type: Q, ref: 2995

! species:  amitraz
! formula:  C_{19}H_{23}N_3
! trivial:  
! casrn:    33089-61-1
! inchikey: QXAITBQSYVNQDR-UHFFFAOYSA-N
Hvpx___33089_61_1 =  5.5E-01                                  ! [atm] type: X, ref: macbean2012
Hvpx___33089_61_1 =  4.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx___33089_61_1 =  3.9E-03                                  ! [atm] type: Q, ref: 3586
Hvpx___33089_61_1 =  2.7E-02                                  ! [atm] type: Q, ref: 2530
Hvpx___33089_61_1 =  5.5E-01                                  ! [atm] type: ?, ref: 3586

! species:  N,N'-bis(1-ethyl-3-methylpentyl)-1,4-benzenediamine
! formula:  C_{22}H_{40}N_2
! trivial:  
! casrn:    139-60-6
! inchikey: JUHXTONDLXIGGK-UHFFFAOYSA-N
Hvpx_____139_60_6 =  9.4E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____139_60_6 =  9.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____139_60_6 =  3.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____139_60_6 =  2.8E-02                                  ! [atm] type: Q, ref: 2995

! species:  $p$,$p$'-benzylidenebis(N,N-dimethylaniline)
! formula:  C_{23}H_{26}N_2
! trivial:  leucomalachite green
! casrn:    129-73-7
! inchikey: WZKXBGJNNCGHIC-UHFFFAOYSA-N
Hvpx_____129_73_7 =  5.4E-04                                  ! [atm] type: Q, ref: 3088

! species:  N-phenyl-N-(2,4,4-trimethyl-2-pentanyl)-1-naphthalenamine
! formula:  C_{24}H_{29}N
! trivial:  
! casrn:    51772-35-1
! inchikey: SNWVRVDHQRBBFG-UHFFFAOYSA-N
Hvpx___51772_35_1 =  8.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___51772_35_1 =  5.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___51772_35_1 =  6.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___51772_35_1 =  4.9E-02                                  ! [atm] type: Q, ref: 2995

! species:  tris(2-ethylhexyl)amine
! formula:  C_{24}H_{51}N
! trivial:  
! casrn:    1860-26-0
! inchikey: BZUDVELGTZDOIG-UHFFFAOYSA-N
Hvpx____1860_26_0 =  7.8E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____1860_26_0 =  4.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1860_26_0 =  8.9E+04                                  ! [atm] type: Q, ref: 2995
Hvpx____1860_26_0 =  1.5E+03                                  ! [atm] type: Q, ref: 2995

! species:  4,4',4''-methylidyne-tris(N,N-dimethylbenzenamine)
! formula:  C_{25}H_{31}N_3
! trivial:  Leucocrystal violet
! casrn:    603-48-5
! inchikey: OAZWDJGLIYNYMU-UHFFFAOYSA-N
Hvpx_____603_48_5 =  8.5E-06                                  ! [atm] type: Q, ref: 2995
Hvpx_____603_48_5 =  1.8E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____603_48_5 =  1.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____603_48_5 =  4.8E-07                                  ! [atm] type: Q, ref: 2995

! species:  N-phenylbenzenamide
! formula:  C_{30}H_{47}N
! trivial:  
! casrn:    68608-79-7
! inchikey: FSPSHPMYFQHGQD-UHFFFAOYSA-N
Hvpx___68608_79_7 =  6.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68608_79_7 =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68608_79_7 =  3.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68608_79_7 =  1.9E+00                                  ! [atm] type: Q, ref: 2995

! species:  4,4',4''-methanetriyltris(N,N-diethylaniline)
! formula:  C_{31}H_{43}N_3
! trivial:  
! casrn:    68814-02-8
! inchikey: HOGMPEULJBVHLZ-UHFFFAOYSA-N
Hvpx___68814_02_8 =  6.0E-06                                  ! [atm] type: Q, ref: 2995
Hvpx___68814_02_8 =  7.8E-07                                  ! [atm] type: Q, ref: 2995
Hvpx___68814_02_8 =  3.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___68814_02_8 =  3.6E-07                                  ! [atm] type: Q, ref: 2995

! species:  amitrole
! formula:  C_2H_4N_4
! trivial:  
! casrn:    61-82-5
! inchikey: KLSJWNVTNUYHDU-UHFFFAOYSA-N
Hvpx______61_82_5 =  1.2E-08                                  ! [atm] type: V, ref: 3586
Hvpx______61_82_5 =  1.2E-08                                  ! [atm] type: V, ref: 3088
Hvpx______61_82_5 =  9.0E-11                                  ! [atm] type: V, ref: 2614
Hvpx______61_82_5 =  3.7E-04                                  ! [atm] type: Q, ref: 3586

! species:  azetidine
! formula:  C_3H_7N
! trivial:  
! casrn:    503-29-7
! inchikey: HONIICLYMWZJFZ-UHFFFAOYSA-N
Hvpx_____503_29_7 =  1.1E-01                                  ! [atm] type: ?, ref: 3766

! species:  imidazole
! formula:  C_3H_4N_2
! trivial:  
! casrn:    288-32-4
! inchikey: RAXXELZNTBOGNW-UHFFFAOYSA-N
Hvpx_____288_32_4 =  1.7E-04                                  ! [atm] type: M, ref: 3426
Hvpx_____288_32_4 =  2.6E-04                                  ! [atm] type: Q, ref: 3426
Hvpx_____288_32_4 =  1.8E-04                                  ! [atm] type: Q, ref: 3426

! species:  1,3,5-triazine-2,4,6-triamine
! formula:  C_3H_6N_6
! trivial:  
! casrn:    108-78-1
! inchikey: JDSHMPZPIAZGSV-UHFFFAOYSA-N
Hvpx_____108_78_1 =  1.0E-09                                  ! [atm] type: V, ref: 3088
Hvpx_____108_78_1 =  1.1E-08                                  ! [atm] type: Q, ref: 2995
Hvpx_____108_78_1 =  8.2E-10                                  ! [atm] type: Q, ref: 2995
Hvpx_____108_78_1 =  9.4E-11                                  ! [atm] type: Q, ref: 2995
Hvpx_____108_78_1 =  6.5E-10                                  ! [atm] type: Q, ref: 2995

! species:  pyrrolidine
! formula:  C_4H_8NH
! trivial:  
! casrn:    123-75-1
! inchikey: RWRDLPDLKQPQOW-UHFFFAOYSA-N
Hvpx_____123_75_1 =  1.3E-01                                  ! [atm] type: V, ref: 2388
Hvpx_____123_75_1 =  1.3E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: T, ref: 722
Hvpx_____123_75_1 =  3.0E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____123_75_1 =  4.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_75_1 =  9.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_75_1 =  1.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____123_75_1 =  1.3E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____123_75_1 =  6.5E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____123_75_1 =  2.7E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____123_75_1 =  1.3E-01                                  ! [atm] type: ?, ref: 3586

! species:  1-pyrroline
! formula:  C_4H_7N
! trivial:  
! casrn:    5724-81-2
! inchikey: ZVJHJDDKYZXRJI-UHFFFAOYSA-N
Hvpx____5724_81_2 =  3.5E-01                                  ! [atm] type: M, ref: 2388

! species:  3-pyrroline
! formula:  C_4H_7N
! trivial:  
! casrn:    109-96-6
! inchikey: JVQIKJMSUIMUDI-UHFFFAOYSA-N
Hvpx_____109_96_6 =  1.1E-01                                  ! [atm] type: V, ref: 2388

! species:  1,4-diazacyclohexane
! formula:  C_4H_{10}N_2
! trivial:  piperazine
! casrn:    110-85-0
! inchikey: GLUUGHFHXGJENI-UHFFFAOYSA-N
Hvpx_____110_85_0 =  1.2E-04 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584
Hvpx_____110_85_0 =  5.3E-03 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: T, ref: 2376

! species:  pyrrole
! formula:  C_4H_5N
! trivial:  1H-pyrrole
! casrn:    109-97-7
! inchikey: KAESVJOAVNADME-UHFFFAOYSA-N
Hvpx_____109_97_7 =  1.0E+00                                  ! [atm] type: M, ref: 2232
Hvpx_____109_97_7 =  9.0E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____109_97_7 =  9.0E-01                                  ! [atm] type: V, ref: 636
Hvpx_____109_97_7 =  3.0E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_97_7 =  1.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_97_7 =  7.6E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_97_7 =  6.4E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_97_7 =  1.0E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_97_7 =  1.3E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_97_7 =  1.0E+00                                  ! [atm] type: ?, ref: 3586

! species:  1-methyl-1H-imidazole
! formula:  C_4H_6N_2
! trivial:  
! casrn:    616-47-7
! inchikey: MCTWTZJPVLRJOU-UHFFFAOYSA-N
Hvpx_____616_47_7 =  7.9E-03                                  ! [atm] type: M, ref: 3426
Hvpx_____616_47_7 =  1.6E-03                                  ! [atm] type: Q, ref: 3426
Hvpx_____616_47_7 =  6.1E-03                                  ! [atm] type: Q, ref: 3426
Hvpx_____616_47_7 =  4.8E-03                                  ! [atm] type: Q, ref: 2521

! species:  1,3-diazine
! formula:  C_4H_4N_2
! trivial:  
! casrn:    289-95-2
! inchikey: CZPWVGJYEJSRLH-UHFFFAOYSA-N
Hvpx_____289_95_2 =  5.4E-02                                  ! [atm] type: Q, ref: 2521

! species:  N-methylpyrrolidine
! formula:  C_4H_8NCH_3
! trivial:  
! casrn:    120-94-5
! inchikey: AVFZOVWCLRSYKC-UHFFFAOYSA-N
Hvpx_____120_94_5 =  1.7E+00 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: T, ref: 722
Hvpx_____120_94_5 =  3.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____120_94_5 =  4.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____120_94_5 =  2.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____120_94_5 =  9.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____120_94_5 =  1.7E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____120_94_5 =  1.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  piperidine
! formula:  C_5H_{10}NH
! trivial:  
! casrn:    110-89-4
! inchikey: NQRYJNQNLNOLGT-UHFFFAOYSA-N
Hvpx_____110_89_4 =  1.9E-01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2826
Hvpx_____110_89_4 =  2.7E-01                                  ! [atm] type: V, ref: 2388
Hvpx_____110_89_4 =  2.5E-01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: T, ref: 722
Hvpx_____110_89_4 =  2.2E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____110_89_4 =  4.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_89_4 =  7.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_89_4 =  5.3E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_89_4 =  7.6E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_89_4 =  8.2E-01                                  ! [atm] type: Q, ref: 731
Hvpx_____110_89_4 =  3.6E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____110_89_4 =  2.5E-01                                  ! [atm] type: ?, ref: 3586

! species:  2-ethylimidazole
! formula:  C_5H_8N_2
! trivial:  
! casrn:    1072-62-4
! inchikey: PQAMFDRRWURCFQ-UHFFFAOYSA-N
Hvpx____1072_62_4 =  7.2E-04                                  ! [atm] type: M, ref: 3426
Hvpx____1072_62_4 =  3.9E-05                                  ! [atm] type: Q, ref: 3426
Hvpx____1072_62_4 =  6.6E-04                                  ! [atm] type: Q, ref: 3426

! species:  1,2-dimethylimidazole
! formula:  C_5H_8N_2
! trivial:  
! casrn:    1739-84-0
! inchikey: GIWQSPITLQVMSG-UHFFFAOYSA-N
Hvpx____1739_84_0 =  1.3E-02                                  ! [atm] type: M, ref: 3426
Hvpx____1739_84_0 =  1.9E-03                                  ! [atm] type: Q, ref: 3426
Hvpx____1739_84_0 =  1.7E-02                                  ! [atm] type: Q, ref: 3426

! species:  N-methylpiperazine
! formula:  C_5H_{12}N_2
! trivial:  1-methylpiperazine
! casrn:    109-01-3
! inchikey: PVOAHINGSUIXLS-UHFFFAOYSA-N
Hvpx_____109_01_3 =  3.0E-04 * EXP(  -9900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584
Hvpx_____109_01_3 =  2.7E-03 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: T, ref: 2376

! species:  1-methyl-1H-pyrrole
! formula:  C_5H_7N
! trivial:  
! casrn:    96-54-8
! inchikey: OXHNLMTVIGZXSG-UHFFFAOYSA-N
Hvpx______96_54_8 =  6.0E+01                                  ! [atm] type: Q, ref: 2521

! species:  pyridine
! formula:  C_5H_5N
! trivial:  
! casrn:    110-86-1
! inchikey: JUJWROOIHBZHMG-UHFFFAOYSA-N
Hvpx_____110_86_1 =  6.0E-01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____110_86_1 =  5.0E-01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2826
Hvpx_____110_86_1 =  1.2E+01 * EXP(   2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx_____110_86_1 =  5.6E-01                                  ! [atm] type: M, ref: 3646
Hvpx_____110_86_1 =  1.0E+00                                  ! [atm] type: M, ref: 1073
Hvpx_____110_86_1 =  6.6E-01                                  ! [atm] type: M, ref: 2232
Hvpx_____110_86_1 =  5.0E-01                                  ! [atm] type: M, ref: 2378
Hvpx_____110_86_1 =  7.7E-01                                  ! [atm] type: M, ref: 2388
Hvpx_____110_86_1 =  4.9E-01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 719
Hvpx_____110_86_1 =  6.5E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____110_86_1 =  2.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_86_1 =  4.9E-01                                  ! [atm] type: Q, ref: 3689
Hvpx_____110_86_1 =  7.3E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_86_1 =  8.5E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_86_1 =  4.7E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_86_1 =  4.1E-01                                  ! [atm] type: Q, ref: 3731
Hvpx_____110_86_1 =  4.6E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_86_1 =  6.0E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_86_1 =  3.0E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____110_86_1 =  1.7E-01                                  ! [atm] type: Q, ref: 731
Hvpx_____110_86_1 =  4.4E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____110_86_1 =  6.1E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____110_86_1 =  4.9E-01                                  ! [atm] type: ?, ref: 2614
Hvpx_____110_86_1 =  5.2E-01                                  ! [atm] type: ?, ref: 2440
Hvpx_____110_86_1 =  6.1E-01                                  ! [atm] type: ?, ref: 789
Hvpx_____110_86_1 =  4.9E-01                                  ! [atm] type: ?, ref: 1500

! species:  pyridine-d5
! formula:  C_5D_5N
! trivial:  
! casrn:    7291-22-7
! inchikey: JUJWROOIHBZHMG-RALIUCGRSA-N
Hvpx____7291_22_7 =  1.3E-01 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  4-aminopyridine
! formula:  C_5H_6N_2
! trivial:  
! casrn:    504-24-5
! inchikey: NUKYPUAOHBNCPY-UHFFFAOYSA-N
Hvpx_____504_24_5 =  1.3E-05                                  ! [atm] type: V, ref: 3088

! species:  2-aminopyridine
! formula:  C_5H_6N_2
! trivial:  
! casrn:    504-29-0
! inchikey: ICSNLGPSRYBMBD-UHFFFAOYSA-N
Hvpx_____504_29_0 =  1.4E-04                                  ! [atm] type: Q, ref: 3088

! species:  2-methylpyrazine
! formula:  C_4N_2H_3CH_3
! trivial:  
! casrn:    109-08-0
! inchikey: CAWHJQAVHZEVTJ-UHFFFAOYSA-N
Hvpx_____109_08_0 =  1.2E-01                                  ! [atm] type: M, ref: 755
Hvpx_____109_08_0 =  1.1E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_08_0 =  8.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_08_0 =  1.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_08_0 =  1.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_08_0 =  3.3E-03                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_08_0 =  1.7E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____109_08_0 =  4.7E-01                                  ! [atm] type: Q, ref: 731
Hvpx_____109_08_0 =  1.2E-01                                  ! [atm] type: ?, ref: 3586

! species:  adenine
! formula:  C_5H_5N_5
! trivial:  
! casrn:    73-24-5
! inchikey: GFFGJBXGBJISGV-UHFFFAOYSA-N
Hvpx______73_24_5 =  4.3E-10                                  ! [atm] type: V, ref: 3586
Hvpx______73_24_5 =  1.0E-06                                  ! [atm] type: Q, ref: 3586

! species:  9-methyladenine
! formula:  C_6H_7N_5
! trivial:  
! casrn:    700-00-5
! inchikey: WRXCXOUDSPTXNX-UHFFFAOYSA-N
Hvpx_____700_00_5 =  1.4E-07                                  ! [atm] type: ?, ref: 3766

! species:  N-methylpiperidine
! formula:  C_5H_{10}NCH_3
! trivial:  
! casrn:    626-67-5
! inchikey: PAMIQIKDUOTOBW-UHFFFAOYSA-N
Hvpx_____626_67_5 =  2.3E+00                                  ! [atm] type: R, ref: 1501
Hvpx_____626_67_5 =  1.9E+00 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: T, ref: 722
Hvpx_____626_67_5 =  2.4E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____626_67_5 =  4.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____626_67_5 =  1.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____626_67_5 =  4.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____626_67_5 =  1.8E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____626_67_5 =  1.9E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____626_67_5 =  2.5E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____626_67_5 =  5.5E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____626_67_5 =  2.2E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____626_67_5 =  1.9E+00                                  ! [atm] type: ?, ref: 3586

! species:  triethylenediamine
! formula:  C_6H_{12}N_2
! trivial:  
! casrn:    280-57-9
! inchikey: IMNIMPAHZVJRPE-UHFFFAOYSA-N
Hvpx_____280_57_9 =  1.8E-04                                  ! [atm] type: M, ref: 3426
Hvpx_____280_57_9 =  6.1E-04                                  ! [atm] type: Q, ref: 3426
Hvpx_____280_57_9 =  2.5E-04                                  ! [atm] type: Q, ref: 3426

! species:  2-ethyl-4-methylimidazole
! formula:  C_6H_{10}N_2
! trivial:  
! casrn:    931-36-2
! inchikey: ULKLGIFJWFIQFF-UHFFFAOYSA-N
Hvpx_____931_36_2 =  1.9E-03                                  ! [atm] type: M, ref: 3426
Hvpx_____931_36_2 =  3.9E-04                                  ! [atm] type: Q, ref: 3426
Hvpx_____931_36_2 =  1.8E-03                                  ! [atm] type: Q, ref: 3426

! species:  3-(aminomethyl)pyridine
! formula:  C_6H_8N_2
! trivial:  
! casrn:    3731-52-0
! inchikey: HDOUGSFASVGDCS-UHFFFAOYSA-N
Hvpx____3731_52_0 =  1.3E-03                                  ! [atm] type: M, ref: 3426
Hvpx____3731_52_0 =  1.1E-03                                  ! [atm] type: Q, ref: 3426
Hvpx____3731_52_0 =  1.5E-03                                  ! [atm] type: Q, ref: 3426

! species:  N,N'-dimethylpiperazine
! formula:  C_6H_{14}N_2
! trivial:  1,4-dimethylpiperazine
! casrn:    106-58-1
! inchikey: RXYPXQSKLGGKOL-UHFFFAOYSA-N
Hvpx_____106_58_1 =  2.7E-03 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584
Hvpx_____106_58_1 =  3.8E-03 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: T, ref: 2376

! species:  cyromazine
! formula:  C_6H_{10}N_6
! trivial:  
! casrn:    66215-27-8
! inchikey: LVQDKIWDGQRHTE-UHFFFAOYSA-N
Hvpx___66215_27_8 =  3.1E-09                                  ! [atm] type: V, ref: 3586
Hvpx___66215_27_8 =  3.1E-09                                  ! [atm] type: V, ref: 3088
Hvpx___66215_27_8 =  4.1E-09                                  ! [atm] type: Q, ref: 3586

! species:  1H-benzotriazole
! formula:  C_6H_5N_3
! trivial:  1,2,3-benzotriazole
! casrn:    95-14-7
! inchikey: QRUDEWIWKLJBPS-UHFFFAOYSA-N
Hvpx______95_14_7 =  1.8E-02                                  ! [atm] type: V, ref: 3088

! species:  1-piperazineethanamine
! formula:  C_6H_{15}N_3
! trivial:  N-(2-aminoethyl)piperazine
! casrn:    140-31-8
! inchikey: IMUDHTPIFIBORV-UHFFFAOYSA-N
Hvpx_____140_31_8 =  3.7E-08                                  ! [atm] type: Q, ref: 3088

! species:  2-methylpyridine
! formula:  C_5H_4NCH_3
! trivial:  2-picoline; $\alpha$-picoline
! casrn:    109-06-8
! inchikey: BSKHPKMHTQYZBB-UHFFFAOYSA-N
Hvpx_____109_06_8 =  5.6E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____109_06_8 =  5.5E-01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 719
Hvpx_____109_06_8 =  4.8E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_06_8 =  6.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_06_8 =  1.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_06_8 =  4.4E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_06_8 =  5.4E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_06_8 =  5.4E-01                                  ! [atm] type: Q, ref: 3731
Hvpx_____109_06_8 =  4.0E-03                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_06_8 =  2.6E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_06_8 =  4.2E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____109_06_8 =  6.2E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____109_06_8 =  5.5E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____109_06_8 =  5.5E-01                                  ! [atm] type: ?, ref: 2614
Hvpx_____109_06_8 =  5.5E-01                                  ! [atm] type: ?, ref: 2440
Hvpx_____109_06_8 =  1.6E+00                                  ! [atm] type: ?, ref: 789
Hvpx_____109_06_8 =  5.5E-01                                  ! [atm] type: ?, ref: 1500

! species:  3-methylpyridine
! formula:  C_5H_4NCH_3
! trivial:  3-picoline; $\beta$-picoline
! casrn:    108-99-6
! inchikey: ITQTTZVARXURQS-UHFFFAOYSA-N
Hvpx_____108_99_6 =  4.4E-01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_99_6 =  1.3E+00                                  ! [atm] type: M, ref: 1073
Hvpx_____108_99_6 =  4.3E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 719
Hvpx_____108_99_6 =  4.8E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_99_6 =  6.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_99_6 =  6.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_99_6 =  6.5E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_99_6 =  5.4E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_99_6 =  4.1E-01                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_99_6 =  5.8E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_99_6 =  2.4E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_99_6 =  4.2E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____108_99_6 =  6.2E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_99_6 =  4.3E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_99_6 =  4.3E-01                                  ! [atm] type: ?, ref: 2614
Hvpx_____108_99_6 =  4.0E-01                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_99_6 =  1.0E+00                                  ! [atm] type: ?, ref: 789
Hvpx_____108_99_6 =  4.3E-01                                  ! [atm] type: ?, ref: 1500

! species:  4-methylpyridine
! formula:  C_5H_4NCH_3
! trivial:  
! casrn:    108-89-4
! inchikey: FKNQCJSGGFJEIZ-UHFFFAOYSA-N
Hvpx_____108_89_4 =  3.3E-01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_89_4 =  3.3E-01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 719
Hvpx_____108_89_4 =  4.8E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_89_4 =  6.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_89_4 =  3.3E-01                                  ! [atm] type: Q, ref: 3689
Hvpx_____108_89_4 =  6.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_89_4 =  6.4E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_89_4 =  4.5E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_89_4 =  4.4E-01                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_89_4 =  5.1E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_89_4 =  2.3E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_89_4 =  4.2E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____108_89_4 =  2.6E-01                                  ! [atm] type: Q, ref: 731
Hvpx_____108_89_4 =  6.2E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_89_4 =  3.3E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_89_4 =  3.3E-01                                  ! [atm] type: ?, ref: 2614
Hvpx_____108_89_4 =  3.2E-01                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_89_4 =  3.3E-01                                  ! [atm] type: ?, ref: 1500
Hvpx_____108_89_4 =  3.8E-01                                  ! [atm] type: ?, ref: 2378

! species:  3-cyanopyridine
! formula:  C_6H_4N_2
! trivial:  
! casrn:    100-54-9
! inchikey: GZPHSAQLYPIAIN-UHFFFAOYSA-N
Hvpx_____100_54_9 =  1.5E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____100_54_9 =  2.9E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____100_54_9 =  1.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_54_9 =  1.5E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____100_54_9 =  3.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_54_9 =  5.1E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_54_9 =  8.0E-03                                  ! [atm] type: Q, ref: 2543
Hvpx_____100_54_9 =  4.5E-03                                  ! [atm] type: Q, ref: 984
Hvpx_____100_54_9 =  1.5E-02                                  ! [atm] type: ?, ref: 3586

! species:  4-cyanopyridine
! formula:  C_6H_4N_2
! trivial:  
! casrn:    100-48-1
! inchikey: GPHQHTOMRSGBNZ-UHFFFAOYSA-N
Hvpx_____100_48_1 =  5.1E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____100_48_1 =  2.9E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____100_48_1 =  1.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_48_1 =  3.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_48_1 =  5.5E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_48_1 =  4.5E-03                                  ! [atm] type: Q, ref: 984
Hvpx_____100_48_1 =  5.1E-02                                  ! [atm] type: ?, ref: 3586

! species:  2-ethylpyrazine
! formula:  C_4N_2H_3(C_2H_5)
! trivial:  
! casrn:    13925-00-3
! inchikey: KVFIJIWMDBAGDP-UHFFFAOYSA-N
Hvpx___13925_00_3 =  1.4E-01                                  ! [atm] type: M, ref: 755
Hvpx___13925_00_3 =  8.3E-02                                  ! [atm] type: Q, ref: 3730
Hvpx___13925_00_3 =  7.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___13925_00_3 =  2.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx___13925_00_3 =  1.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx___13925_00_3 =  2.0E-01                                  ! [atm] type: Q, ref: 984
Hvpx___13925_00_3 =  1.4E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,5-dimethylpyrazine
! formula:  C_6H_8N_2
! trivial:  
! casrn:    123-32-0
! inchikey: LCZUOKDVTBMCMX-UHFFFAOYSA-N
Hvpx_____123_32_0 =  7.7E-02                                  ! [atm] type: M, ref: 2964
Hvpx_____123_32_0 =  1.0E-01                                  ! [atm] type: M, ref: 3645
Hvpx_____123_32_0 =  1.0E-01                                  ! [atm] type: V, ref: 2964
Hvpx_____123_32_0 =  8.5E-02                                  ! [atm] type: Q, ref: 2964

! species:  2,6-dimethylpyrazine
! formula:  C_6H_8N_2
! trivial:  3,5-dimethylpyrazine
! casrn:    108-50-9
! inchikey: HJFZAYHYIWGLNL-UHFFFAOYSA-N
Hvpx_____108_50_9 =  5.6E-01                                  ! [atm] type: M, ref: 1073

! species:  N-ethylpiperidine
! formula:  C_7H_{15}N
! trivial:  1-ethylpiperidine
! casrn:    766-09-6
! inchikey: HTLZVHNRZJPSMI-UHFFFAOYSA-N
Hvpx_____766_09_6 =  1.4E+00                                  ! [atm] type: Q, ref: 2521

! species:  1H-benzimidazole
! formula:  C_7H_6N_2
! trivial:  
! casrn:    51-17-2
! inchikey: HYZJCKYKOHLVJF-UHFFFAOYSA-N
Hvpx______51_17_2 =  2.0E-02                                  ! [atm] type: Q, ref: 3088

! species:  2-ethenylpyridine
! formula:  C_7H_7N
! trivial:  2-vinylpyridine
! casrn:    100-69-6
! inchikey: KGIGUEBEKRSTEW-UHFFFAOYSA-N
Hvpx_____100_69_6 =  7.7E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____100_69_6 =  1.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_69_6 =  2.0E-01                                  ! [atm] type: Q, ref: 3088

! species:  4-ethenylpyridine
! formula:  C_7H_7N
! trivial:  4-vinylpyridine
! casrn:    100-43-6
! inchikey: KFDVPJUYSDEJTH-UHFFFAOYSA-N
Hvpx_____100_43_6 =  4.5E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____100_43_6 =  1.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_43_6 =  1.8E-01                                  ! [atm] type: Q, ref: 3088

! species:  2-ethylpyridine
! formula:  C_5H_4NC_2H_5
! trivial:  
! casrn:    100-71-0
! inchikey: NRGGMCIBEHEAIL-UHFFFAOYSA-N
Hvpx_____100_71_0 =  9.1E-01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 719
Hvpx_____100_71_0 =  3.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____100_71_0 =  6.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_71_0 =  1.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_71_0 =  8.4E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_71_0 =  8.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____100_71_0 =  2.2E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____100_71_0 =  5.0E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____100_71_0 =  3.8E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____100_71_0 =  9.1E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____100_71_0 =  9.2E-01                                  ! [atm] type: ?, ref: 1500

! species:  3-ethylpyridine
! formula:  C_5H_4NC_2H_5
! trivial:  
! casrn:    536-78-7
! inchikey: MFEIKQPHQINPRI-UHFFFAOYSA-N
Hvpx_____536_78_7 =  5.7E-01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 719
Hvpx_____536_78_7 =  3.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____536_78_7 =  6.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____536_78_7 =  8.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____536_78_7 =  9.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____536_78_7 =  5.4E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____536_78_7 =  1.9E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____536_78_7 =  5.0E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____536_78_7 =  3.8E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____536_78_7 =  5.8E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____536_78_7 =  5.8E-01                                  ! [atm] type: ?, ref: 1500

! species:  4-ethylpyridine
! formula:  C_5H_4NC_2H_5
! trivial:  
! casrn:    536-75-4
! inchikey: VJXRKZJMGVSXPX-UHFFFAOYSA-N
Hvpx_____536_75_4 =  4.6E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 719
Hvpx_____536_75_4 =  3.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____536_75_4 =  6.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____536_75_4 =  4.7E-01                                  ! [atm] type: Q, ref: 3689
Hvpx_____536_75_4 =  7.8E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____536_75_4 =  9.5E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____536_75_4 =  4.5E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____536_75_4 =  5.4E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____536_75_4 =  1.9E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____536_75_4 =  5.0E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____536_75_4 =  3.8E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____536_75_4 =  4.7E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____536_75_4 =  4.6E-01                                  ! [atm] type: ?, ref: 1500

! species:  2,3-dimethylpyridine
! formula:  C_5H_3N(CH_3)_2
! trivial:  2,3-lutidine
! casrn:    583-61-9
! inchikey: HPYNZHMRTTWQTB-UHFFFAOYSA-N
Hvpx_____583_61_9 =  4.0E-01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 719
Hvpx_____583_61_9 =  3.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____583_61_9 =  2.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____583_61_9 =  8.7E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____583_61_9 =  2.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____583_61_9 =  4.7E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____583_61_9 =  3.5E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____583_61_9 =  1.8E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____583_61_9 =  5.8E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____583_61_9 =  4.2E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____583_61_9 =  4.0E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____583_61_9 =  4.0E-01                                  ! [atm] type: ?, ref: 2614
Hvpx_____583_61_9 =  4.0E-01                                  ! [atm] type: ?, ref: 1500

! species:  2,4-dimethylpyridine
! formula:  C_5H_3N(CH_3)_2
! trivial:  2,4-lutidine
! casrn:    108-47-4
! inchikey: JYYNAJVZFGKDEQ-UHFFFAOYSA-N
Hvpx_____108_47_4 =  5.5E-01                                  ! [atm] type: M, ref: 2232
Hvpx_____108_47_4 =  3.7E-01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: M, ref: 719
Hvpx_____108_47_4 =  3.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_47_4 =  2.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_47_4 =  3.7E-01                                  ! [atm] type: Q, ref: 3689
Hvpx_____108_47_4 =  1.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_47_4 =  1.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_47_4 =  3.6E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_47_4 =  3.1E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_47_4 =  1.8E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_47_4 =  5.9E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____108_47_4 =  3.2E-01                                  ! [atm] type: Q, ref: 731
Hvpx_____108_47_4 =  4.2E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_47_4 =  3.7E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_47_4 =  3.7E-01                                  ! [atm] type: ?, ref: 2614
Hvpx_____108_47_4 =  3.7E-01                                  ! [atm] type: ?, ref: 1500

! species:  2,5-dimethylpyridine
! formula:  C_5H_3N(CH_3)_2
! trivial:  2,5-lutidine
! casrn:    589-93-5
! inchikey: XWKFPIODWVPXLX-UHFFFAOYSA-N
Hvpx_____589_93_5 =  4.8E-01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: M, ref: 719
Hvpx_____589_93_5 =  3.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____589_93_5 =  2.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____589_93_5 =  9.6E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____589_93_5 =  2.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____589_93_5 =  4.7E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____589_93_5 =  3.5E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____589_93_5 =  1.9E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____589_93_5 =  5.9E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____589_93_5 =  4.2E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____589_93_5 =  4.7E-01                                  ! [atm] type: Q, ref: 1145
Hvpx_____589_93_5 =  4.8E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____589_93_5 =  4.8E-01                                  ! [atm] type: ?, ref: 1500

! species:  2,6-dimethylpyridine
! formula:  C_5H_3N(CH_3)_2
! trivial:  2,6-lutidine
! casrn:    108-48-5
! inchikey: OISVCGZHLKNMSJ-UHFFFAOYSA-N
Hvpx_____108_48_5 =  6.0E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_48_5 =  8.3E-01                                  ! [atm] type: M, ref: 2232
Hvpx_____108_48_5 =  5.8E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: M, ref: 719
Hvpx_____108_48_5 =  3.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_48_5 =  2.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_48_5 =  1.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_48_5 =  8.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_48_5 =  3.5E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_48_5 =  2.3E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_48_5 =  5.8E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____108_48_5 =  4.2E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_48_5 =  5.8E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_48_5 =  5.8E-01                                  ! [atm] type: ?, ref: 2614
Hvpx_____108_48_5 =  5.8E-01                                  ! [atm] type: ?, ref: 1500

! species:  3,4-dimethylpyridine
! formula:  C_5H_3N(CH_3)_2
! trivial:  3,4-lutidine
! casrn:    583-58-4
! inchikey: NURQLCJSMXZBPC-UHFFFAOYSA-N
Hvpx_____583_58_4 =  2.0E-01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 719
Hvpx_____583_58_4 =  3.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____583_58_4 =  2.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____583_58_4 =  4.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____583_58_4 =  1.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____583_58_4 =  2.0E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____583_58_4 =  3.9E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____583_58_4 =  2.0E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____583_58_4 =  5.9E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____583_58_4 =  4.2E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____583_58_4 =  2.0E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____583_58_4 =  2.0E-01                                  ! [atm] type: ?, ref: 1500

! species:  3,5-dimethylpyridine
! formula:  C_5H_3N(CH_3)_2
! trivial:  3,5-lutidine
! casrn:    591-22-0
! inchikey: HWWYDZCSSYKIAD-UHFFFAOYSA-N
Hvpx_____591_22_0 =  3.8E-01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 719
Hvpx_____591_22_0 =  3.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____591_22_0 =  2.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____591_22_0 =  5.6E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____591_22_0 =  9.3E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____591_22_0 =  3.6E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____591_22_0 =  4.5E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____591_22_0 =  1.7E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____591_22_0 =  5.9E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____591_22_0 =  4.2E-01                                  ! [atm] type: Q, ref: 1162
Hvpx_____591_22_0 =  3.8E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____591_22_0 =  3.9E-01                                  ! [atm] type: ?, ref: 1500

! species:  5-ethyl-2-methylpyridine
! formula:  C_8H_{11}N
! trivial:  
! casrn:    104-90-5
! inchikey: NTSLROIKFLNUIJ-UHFFFAOYSA-N
Hvpx_____104_90_5 =  1.1E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____104_90_5 =  1.1E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____104_90_5 =  2.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____104_90_5 =  6.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_90_5 =  1.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_90_5 =  7.8E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_90_5 =  8.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_90_5 =  1.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____104_90_5 =  3.9E+00                                  ! [atm] type: Q, ref: 2530

! species:  2,4,6-trimethylpyridine
! formula:  C_5H_2N(CH_3)_3
! trivial:  2,4,6-collidine
! casrn:    108-75-8
! inchikey: BWZVCCNYKMEVEX-UHFFFAOYSA-N
Hvpx_____108_75_8 =  4.9E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____108_75_8 =  4.9E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____108_75_8 =  9.6E+00                                  ! [atm] type: V, ref: 2614
Hvpx_____108_75_8 =  9.6E+00                                  ! [atm] type: V, ref: 636
Hvpx_____108_75_8 =  4.9E-01                                  ! [atm] type: C, ref: 2521
Hvpx_____108_75_8 =  6.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_75_8 =  1.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_75_8 =  5.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_75_8 =  2.1E-01                                  ! [atm] type: Q, ref: 3764

! species:  indole
! formula:  C_8H_7N
! trivial:  
! casrn:    120-72-9
! inchikey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
Hvpx_____120_72_9 =  2.9E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____120_72_9 =  2.9E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____120_72_9 =  7.6E-02                                  ! [atm] type: V, ref: 2614
Hvpx_____120_72_9 =  7.6E-02                                  ! [atm] type: V, ref: 636
Hvpx_____120_72_9 =  3.3E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____120_72_9 =  3.3E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____120_72_9 =  3.7E-02                                  ! [atm] type: X, ref: howard97
Hvpx_____120_72_9 =  1.0E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____120_72_9 =  3.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____120_72_9 =  7.8E-03                                  ! [atm] type: Q, ref: 3406
Hvpx_____120_72_9 =  3.3E-02                                  ! [atm] type: Q, ref: 3579
Hvpx_____120_72_9 =  6.0E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____120_72_9 =  5.5E-02                                  ! [atm] type: ?, ref: 2440

! species:  2-ethyl-3,5-dimethylpyrazine
! formula:  C_8H_{12}N_2
! trivial:  
! casrn:    13925-07-0
! inchikey: JZBCTZLGKSYRSF-UHFFFAOYSA-N
Hvpx___13925_07_0 =  1.9E-01 * EXP(  -8500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3215

! species:  2-isobutylpyrazine
! formula:  C_4N_2H_3C_4H_9
! trivial:  
! casrn:    29460-92-2
! inchikey: YAIMUUJMEBJXAA-UHFFFAOYSA-N
Hvpx___29460_92_2 =  2.7E-01                                  ! [atm] type: M, ref: 755
Hvpx___29460_92_2 =  4.6E-02                                  ! [atm] type: Q, ref: 3730
Hvpx___29460_92_2 =  3.8E-01                                  ! [atm] type: Q, ref: 984

! species:  2-(1-methylpropyl)-pyrazine
! formula:  C_8H_{12}N_2
! trivial:  
! casrn:    29460-93-3
! inchikey: NFFQZEXYZVZKNN-UHFFFAOYSA-N
Hvpx___29460_93_3 =  3.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx___29460_93_3 =  2.5E-01                                  ! [atm] type: Q, ref: 2530

! species:  5-ethenyl-2-methylpyridine
! formula:  C_8H_9N
! trivial:  
! casrn:    140-76-1
! inchikey: VJOWMORERYNYON-UHFFFAOYSA-N
Hvpx_____140_76_1 =  2.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  4-(1,1-dimethylethyl)-pyridine
! formula:  C_9H_{13}N
! trivial:  4-{\it tert}-butylpyridine
! casrn:    3978-81-2
! inchikey: YSHMQTRICHYLGF-UHFFFAOYSA-N
Hvpx____3978_81_2 =  1.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx____3978_81_2 =  7.3E-01                                  ! [atm] type: ?, ref: 1500
Hvpx____3978_81_2 =  7.3E-01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: ?, ref: 2378

! species:  nornicotine
! formula:  C_9H_{12}N_2
! trivial:  
! casrn:    494-97-3
! inchikey: MYKUKUCHPMASKF-UHFFFAOYSA-N
Hvpx_____494_97_3 =  7.6E-05                                  ! [atm] type: Q, ref: 3088

! species:  2,4-diamino-6-phenyl-1,3,5-triazine
! formula:  C_9H_9N_5
! trivial:  
! casrn:    91-76-9
! inchikey: GZVHEAJQGPRDLQ-UHFFFAOYSA-N
Hvpx______91_76_9 =  2.3E-06                                  ! [atm] type: Q, ref: 3088

! species:  N-methylindole
! formula:  C_9H_9N
! trivial:  
! casrn:    603-76-9
! inchikey: BLRHMMGNCXNXJL-UHFFFAOYSA-N
Hvpx_____603_76_9 =  6.3E-02                                  ! [atm] type: ?, ref: 3766

! species:  3-methylindole
! formula:  C_9H_9N
! trivial:  skatole
! casrn:    83-34-1
! inchikey: ZFRKQXVRDFCRJG-UHFFFAOYSA-N
Hvpx______83_34_1 =  1.9E+04 * EXP(   2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3799
Hvpx______83_34_1 =  1.2E-01                                  ! [atm] type: V, ref: 3088

! species:  2,3-diethyl-5-methylpyrazine
! formula:  C_9H_{14}N_2
! trivial:  
! casrn:    18138-04-0
! inchikey: PSINWXIDJYEXLO-UHFFFAOYSA-N
Hvpx___18138_04_0 =  6.8E-01                                  ! [atm] type: M, ref: 2389

! species:  benzo[$b$]pyridine
! formula:  C_9H_7N
! trivial:  quinoline
! casrn:    91-22-5
! inchikey: SMWDFEZZVXVKRB-UHFFFAOYSA-N
Hvpx______91_22_5 =  9.2E-02                                  ! [atm] type: V, ref: 3586
Hvpx______91_22_5 =  9.4E-02                                  ! [atm] type: V, ref: 3088
Hvpx______91_22_5 =  1.4E-02                                  ! [atm] type: V, ref: 2614
Hvpx______91_22_5 =  1.4E-02                                  ! [atm] type: V, ref: 636
Hvpx______91_22_5 =  9.2E-02                                  ! [atm] type: V, ref: 1145
Hvpx______91_22_5 =  1.4E-02                                  ! [atm] type: V, ref: 3945
Hvpx______91_22_5 =  8.5E-02                                  ! [atm] type: R, ref: 1501
Hvpx______91_22_5 =  1.5E-02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______91_22_5 =  5.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______91_22_5 =  9.5E-03                                  ! [atm] type: Q, ref: 3406
Hvpx______91_22_5 =  8.5E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______91_22_5 =  9.5E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______91_22_5 =  8.9E-02                                  ! [atm] type: Q, ref: 2535
Hvpx______91_22_5 =  6.0E-02                                  ! [atm] type: Q, ref: 2543
Hvpx______91_22_5 =  1.7E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______91_22_5 =  1.6E-02                                  ! [atm] type: Q, ref: 984
Hvpx______91_22_5 =  3.8E-02                                  ! [atm] type: Q, ref: 1145
Hvpx______91_22_5 =  8.4E-02                                  ! [atm] type: ?, ref: 2440

! species:  benzo[$c$]pyridine
! formula:  C_9H_7N
! trivial:  isoquinoline
! casrn:    119-65-3
! inchikey: AWJUIBRHMBBTKR-UHFFFAOYSA-N
Hvpx_____119_65_3 =  1.0E+01                                  ! [atm] type: V, ref: 2614
Hvpx_____119_65_3 =  1.0E+01                                  ! [atm] type: V, ref: 636
Hvpx_____119_65_3 =  9.6E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____119_65_3 =  9.8E-02                                  ! [atm] type: Q, ref: 3579
Hvpx_____119_65_3 =  5.9E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____119_65_3 =  1.4E-01                                  ! [atm] type: ?, ref: 2440

! species:  nicotine
! formula:  C_{10}H_{14}N_2
! trivial:  
! casrn:    54-11-5
! inchikey: SNICXCGAKADSCV-SNVBAGLBSA-N
Hvpx______54_11_5 =  1.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  2,2'-bipyridine
! formula:  C_{10}H_8N_2
! trivial:  
! casrn:    366-18-7
! inchikey: ROFVEXUMMXZLPA-UHFFFAOYSA-N
Hvpx_____366_18_7 =  3.0E-05                                  ! [atm] type: Q, ref: 3088

! species:  4,4'-bipyridine
! formula:  C_{10}H_8N_2
! trivial:  
! casrn:    553-26-4
! inchikey: MWVTWFVJZLCBMC-UHFFFAOYSA-N
Hvpx_____553_26_4 =  1.4E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____553_26_4 =  3.2E-02                                  ! [atm] type: Q, ref: 3586

! species:  2-methylquinoline
! formula:  C_{10}H_9N
! trivial:  
! casrn:    91-63-4
! inchikey: SMUQFGGVLNAIOZ-UHFFFAOYSA-N
Hvpx______91_63_4 =  4.0E-02                                  ! [atm] type: ?, ref: 3766

! species:  4-methylquinoline
! formula:  C_{10}H_9N
! trivial:  
! casrn:    491-35-0
! inchikey: MUDSDYNRBDKLGK-UHFFFAOYSA-N
Hvpx_____491_35_0 =  4.2E-02                                  ! [atm] type: Q, ref: 3088

! species:  MEIQX
! formula:  C_{11}H_{11}N_5
! trivial:  2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline
! casrn:    77500-04-0
! inchikey: DVCCCQNKIYNAKB-UHFFFAOYSA-N
Hvpx___77500_04_0 =  8.9E-09                                  ! [atm] type: Q, ref: 3088

! species:  3-(phenylazo)-2,6-pyridinediamine
! formula:  C_{11}H_{11}N_5
! trivial:  phenazopyridine
! casrn:    94-78-0
! inchikey: QPFYXYFORQJZEC-UHFFFAOYSA-N
Hvpx______94_78_0 =  1.8E-10                                  ! [atm] type: Q, ref: 3088

! species:  2-amino-9H-pyrido[2,3-b]indole
! formula:  C_{11}H_9N_3
! trivial:  
! casrn:    26148-68-5
! inchikey: FJTNLJLPLJDTRM-UHFFFAOYSA-N
Hvpx___26148_68_5 =  2.2E-09                                  ! [atm] type: Q, ref: 3088

! species:  carbazole
! formula:  C_{12}H_9N
! trivial:  
! casrn:    86-74-8
! inchikey: UJOBWOGCFQCDNV-UHFFFAOYSA-N
Hvpx______86_74_8 =  5.8E-03 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______86_74_8 =  5.9E-03 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2819
Hvpx______86_74_8 =  8.3E+00                                  ! [atm] type: V, ref: 2614
Hvpx______86_74_8 =  8.3E+00                                  ! [atm] type: V, ref: 636
Hvpx______86_74_8 =  8.7E+00                                  ! [atm] type: V, ref: 3945
Hvpx______86_74_8 =  2.7E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______86_74_8 =  8.6E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______86_74_8 =  4.8E-03                                  ! [atm] type: Q, ref: 3088
Hvpx______86_74_8 =  6.4E-03                                  ! [atm] type: ?, ref: 3586

! species:  $o$-phenanthroline
! formula:  C_{12}H_8N_2
! trivial:  
! casrn:    66-71-7
! inchikey: DGEZNRSVGBDHLK-UHFFFAOYSA-N
Hvpx______66_71_7 =  4.9E-06                                  ! [atm] type: Q, ref: 2995
Hvpx______66_71_7 =  5.5E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______66_71_7 =  4.7E-06                                  ! [atm] type: Q, ref: 2995
Hvpx______66_71_7 =  1.2E-03                                  ! [atm] type: Q, ref: 2995

! species:  benzyladenine
! formula:  C_{12}H_{11}N_5
! trivial:  
! casrn:    1214-39-7
! inchikey: NWBJYWHLCVSVIJ-UHFFFAOYSA-N
Hvpx____1214_39_7 =  4.9E-09                                  ! [atm] type: V, ref: 3088
Hvpx____1214_39_7 =  4.9E+00                                  ! [atm] type: ?, ref: 3549

! species:  diquat
! formula:  C_{12}H_{12}N_2
! trivial:  
! casrn:    2764-72-9
! inchikey: SYJFEGQWDCRVNX-UHFFFAOYSA-N
Hvpx____2764_72_9 =  1.9E-06                                  ! [atm] type: ?, ref: 3766

! species:  MEIQ
! formula:  C_{12}H_{12}N_4
! trivial:  2-amino-3,4-dimethylimidazo[4,5-f]quinoxaline
! casrn:    77094-11-2
! inchikey: GMGWMIJIGUYNAY-UHFFFAOYSA-N
Hvpx___77094_11_2 =  2.2E-08                                  ! [atm] type: Q, ref: 3088

! species:  pyrimethanil
! formula:  C_{12}H_{13}N_3
! trivial:  
! casrn:    53112-28-0
! inchikey: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
Hvpx___53112_28_0 =  1.6E-03 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3506
Hvpx___53112_28_0 =  2.0E-03                                  ! [atm] type: V, ref: 3586
Hvpx___53112_28_0 =  2.0E-03                                  ! [atm] type: X, ref: tomlin98
Hvpx___53112_28_0 =  6.0E-04                                  ! [atm] type: Q, ref: 3586
Hvpx___53112_28_0 =  1.4E-01                                  ! [atm] type: Q, ref: 3088
Hvpx___53112_28_0 =  2.0E-03                                  ! [atm] type: ?, ref: 3549

! species:  paraquat
! formula:  C_{12}H_{14}N_2
! trivial:  
! casrn:    4685-14-7
! inchikey: INFDPOAKFNIJBF-UHFFFAOYSA-N
Hvpx____4685_14_7 =  2.3E-09                                  ! [atm] type: V, ref: 3088

! species:  N,N-dimethyltryptamine
! formula:  C_{12}H_{16}N_2
! trivial:  
! casrn:    61-50-7
! inchikey: DMULVCHRPCFFGV-UHFFFAOYSA-N
Hvpx______61_50_7 =  3.5E-05                                  ! [atm] type: Q, ref: 3088

! species:  benzo[$f$]quinoline
! formula:  C_{13}H_9N
! trivial:  
! casrn:    85-02-9
! inchikey: HCAUQPZEWLULFJ-UHFFFAOYSA-N
Hvpx______85_02_9 =  9.6E-03                                  ! [atm] type: V, ref: 3586
Hvpx______85_02_9 =  5.2E-03                                  ! [atm] type: V, ref: 636
Hvpx______85_02_9 =  5.2E-03                                  ! [atm] type: V, ref: 3945
Hvpx______85_02_9 =  1.5E-01                                  ! [atm] type: Q, ref: 3586

! species:  2,6-bis-(1,1-dimethylethyl)-pyridine
! formula:  C_{13}H_{21}N
! trivial:  2,6-di-{\it tert}-butylpyridine
! casrn:    585-48-8
! inchikey: UWKQJZCTQGMHKD-UHFFFAOYSA-N
Hvpx_____585_48_8 =  6.9E+02 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2378
Hvpx_____585_48_8 =  2.0E+00                                  ! [atm] type: V, ref: 2378

! species:  PHIP
! formula:  C_{13}H_{12}N_4
! trivial:  2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine
! casrn:    105650-23-5
! inchikey: UQVKZNNCIHJZLS-UHFFFAOYSA-N
Hvpx__105650_23_5 =  1.5E-08                                  ! [atm] type: Q, ref: 3088

! species:  N,N'-diphenylguanidine
! formula:  C_{13}H_{13}N_3
! trivial:  
! casrn:    102-06-7
! inchikey: OWRCNXZUPFZXOS-UHFFFAOYSA-N
Hvpx_____102_06_7 =  3.9E-07                                  ! [atm] type: Q, ref: 3088

! species:  acridine
! formula:  C_{13}H_9N
! trivial:  
! casrn:    260-94-6
! inchikey: DZBUGLKDJFMEHC-UHFFFAOYSA-N
Hvpx_____260_94_6 =  1.6E-02                                  ! [atm] type: V, ref: 2614
Hvpx_____260_94_6 =  1.6E-02                                  ! [atm] type: V, ref: 636
Hvpx_____260_94_6 =  2.2E-02                                  ! [atm] type: Q, ref: 3088

! species:  phenanthridine
! formula:  C_{13}H_9N
! trivial:  
! casrn:    229-87-8
! inchikey: RDOWQLZANAYVLL-UHFFFAOYSA-N
Hvpx_____229_87_8 =  9.1E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____229_87_8 =  1.5E-01                                  ! [atm] type: Q, ref: 3586

! species:  mepanipyrim
! formula:  C_{14}H_{13}N_3
! trivial:  
! casrn:    110235-47-7
! inchikey: CIFWZNRJIBNXRE-UHFFFAOYSA-N
Hvpx__110235_47_7 =  9.1E-04                                  ! [atm] type: ?, ref: 3549

! species:  cyprodinil
! formula:  C_{14}H_{15}N_3
! trivial:  
! casrn:    121552-61-2
! inchikey: HAORKNGNJCEJBX-UHFFFAOYSA-N
Hvpx__121552_61_2 =  4.6E-03                                  ! [atm] type: V, ref: 3586
Hvpx__121552_61_2 =  4.6E-03                                  ! [atm] type: V, ref: 3088
Hvpx__121552_61_2 =  1.9E-04                                  ! [atm] type: Q, ref: 3586

! species:  imiquimod
! formula:  C_{14}H_{16}N_4
! trivial:  
! casrn:    99011-02-6
! inchikey: DOUYETYNHWVLEO-UHFFFAOYSA-N
Hvpx___99011_02_6 =  4.6E-08                                  ! [atm] type: Q, ref: 3088

! species:  ametoctradin
! formula:  C_{15}H_{25}N_5
! trivial:  
! casrn:    865318-97-4
! inchikey: GGKQIOFASHYUJZ-UHFFFAOYSA-N
Hvpx__865318_97_4 =  2.3E-07                                  ! [atm] type: ?, ref: 3549

! species:  ferimzone
! formula:  C_{15}H_{18}N_4
! trivial:  
! casrn:    89269-64-7
! inchikey: GOWLARCWZRESHU-UHFFFAOYSA-N
Hvpx___89269_64_7 =  3.5E-06                                  ! [atm] type: V, ref: 3586
Hvpx___89269_64_7 =  2.3E-03                                  ! [atm] type: Q, ref: 3586

! species:  benz[$c$]acridine
! formula:  C_{17}H_{11}N
! trivial:  
! casrn:    225-51-4
! inchikey: OAPPEBNXKAKQGS-UHFFFAOYSA-N
Hvpx_____225_51_4 =  1.5E-03                                  ! [atm] type: Q, ref: 3088

! species:  6-pentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
! formula:  C_{18}H_{27}N
! trivial:  
! casrn:    10594-03-3
! inchikey: FNUATPIDZQSFPD-UHFFFAOYSA-N
Hvpx___10594_03_3 =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___10594_03_3 =  2.7E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___10594_03_3 =  8.7E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___10594_03_3 =  2.5E+01                                  ! [atm] type: Q, ref: 2995

! species:  2-diphenylmethylpiperidine
! formula:  C_{18}H_{21}N
! trivial:  desoxypipradrol
! casrn:    519-74-4
! inchikey: RWTNXJXZVGHMGI-UHFFFAOYSA-N
Hvpx_____519_74_4 =  8.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  fenpropidin
! formula:  C_{19}H_{31}N 
! trivial:  
! casrn:    67306-00-7
! inchikey: MGNFYQILYYYUBS-UHFFFAOYSA-N
Hvpx___67306_00_7 =  7.7E-04 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3506
Hvpx___67306_00_7 =  4.8E-03                                  ! [atm] type: V, ref: 3586
Hvpx___67306_00_7 =  5.5E+00                                  ! [atm] type: X, ref: tomlin98
Hvpx___67306_00_7 =  5.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___67306_00_7 =  5.8E+00                                  ! [atm] type: ?, ref: 3549

! species:  N,N-bis(2-ethylhexyl)-1H-1,2,4-triazole-1-methanamine
! formula:  C_{19}H_{38}N_4
! trivial:  
! casrn:    91273-04-0
! inchikey: AVBBHCMDRGQBNW-UHFFFAOYSA-N
Hvpx___91273_04_0 =  1.9E-02                                  ! [atm] type: ?, ref: 3766

! species:  7H-dibenzo[$c,g$]carbazole
! formula:  C_{20}H_{13}N
! trivial:  
! casrn:    194-59-2
! inchikey: STJXCDGCXVZHDU-UHFFFAOYSA-N
Hvpx_____194_59_2 =  2.6E-04                                  ! [atm] type: V, ref: 3945
Hvpx_____194_59_2 =  1.4E-04                                  ! [atm] type: Q, ref: 3088

! species:  porphyrin
! formula:  C_{20}H_{14}N_4
! trivial:  porphin
! casrn:    101-60-0
! inchikey: RKCAIXNGYQCCAL-YYOYBPFYSA-N
Hvpx_____101_60_0 =  1.4E-06                                  ! [atm] type: Q, ref: 3627

! species:  dibenz[$a,j$]acridine
! formula:  C_{21}H_{13}N
! trivial:  
! casrn:    224-42-0
! inchikey: ANUCHZVCBDOPOX-UHFFFAOYSA-N
Hvpx_____224_42_0 =  1.1E-04                                  ! [atm] type: Q, ref: 3088

! species:  dibenz[$a,h$]acridine
! formula:  C_{21}H_{13}N
! trivial:  
! casrn:    226-36-8
! inchikey: JNCSIWAONQTVCF-UHFFFAOYSA-N
Hvpx_____226_36_8 =  1.1E-04                                  ! [atm] type: Q, ref: 3088

! species:  1,3,5-tricyclohexylhexahydro-1,3,5-triazine
! formula:  C_{21}H_{39}N_3
! trivial:  
! casrn:    6281-14-7
! inchikey: ZLLRUEJANKJPQE-UHFFFAOYSA-N
Hvpx____6281_14_7 =  3.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____6281_14_7 =  1.4E-06                                  ! [atm] type: Q, ref: 2995
Hvpx____6281_14_7 =  4.6E-06                                  ! [atm] type: Q, ref: 2995
Hvpx____6281_14_7 =  3.6E-05                                  ! [atm] type: Q, ref: 2995

! species:  cyano radical
! formula:  CN
! trivial:  
! casrn:    2074-87-5
! inchikey: JEVCWSUVFOYBFI-UHFFFAOYSA-N
Hvpx____2074_87_5 =  7.0E+02 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: T, ref: 763

! species:  hydrogen cyanide
! formula:  HCN
! trivial:  hydrocyanic acid
! casrn:    74-90-8
! inchikey: LELOWRISYMNNSU-UHFFFAOYSA-N
Hvpx______74_90_8 =  6.1E+00 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_90_8 =  6.1E+00 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_90_8 =  3.1E+00 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3085
Hvpx______74_90_8 =  4.8E+00 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: L, ref: 540
Hvpx______74_90_8 =  6.1E+00 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3533
Hvpx______74_90_8 =  7.2E+00                                  ! [atm] type: M, ref: 1481
Hvpx______74_90_8 =  4.6E+00                                  ! [atm] type: M, ref: 1915
Hvpx______74_90_8 =  6.0E+00                                  ! [atm] type: R, ref: 714
Hvpx______74_90_8 =  5.5E+00 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: T, ref: 3540
Hvpx______74_90_8 =  7.2E+00 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: X, ref: kotlik74
Hvpx______74_90_8 =  7.4E+00                                  ! [atm] type: X, ref: gaffney84
Hvpx______74_90_8 =  1.1E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______74_90_8 =  1.3E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______74_90_8 =  1.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______74_90_8 =  3.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______74_90_8 =  1.2E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______74_90_8 =  7.4E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______74_90_8 =  4.9E+00                                  ! [atm] type: ?, ref: 2440

! species:  ethanenitrile
! formula:  CH_3CN
! trivial:  acetonitrile
! casrn:    75-05-8
! inchikey: WEVYAHXRMPXWCK-UHFFFAOYSA-N
Hvpx______75_05_8 =  1.0E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_05_8 =  1.0E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_05_8 =  1.1E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_05_8 =  1.0E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_05_8 =  1.0E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______75_05_8 =  1.4E+00 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3621
Hvpx______75_05_8 =  1.1E+00 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______75_05_8 =  1.1E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______75_05_8 =  1.2E+00 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 629
Hvpx______75_05_8 =  9.1E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______75_05_8 =  1.1E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2524
Hvpx______75_05_8 =  1.1E+00                                  ! [atm] type: M, ref: 2963
Hvpx______75_05_8 =  1.7E+00 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3609
Hvpx______75_05_8 =  1.6E+00                                  ! [atm] type: M, ref: 3646
Hvpx______75_05_8 =  1.0E+00 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 617
Hvpx______75_05_8 =  1.2E+00                                  ! [atm] type: M, ref: 2457
Hvpx______75_05_8 =  6.6E+00                                  ! [atm] type: M, ref: 3675
Hvpx______75_05_8 =  1.1E+00 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 483
Hvpx______75_05_8 =  1.0E+00 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 632
Hvpx______75_05_8 =  1.5E+01                                  ! [atm] type: V, ref: 2580
Hvpx______75_05_8 =  1.1E+00                                  ! [atm] type: V, ref: 2439
Hvpx______75_05_8 =  1.9E+00                                  ! [atm] type: R, ref: 714
Hvpx______75_05_8 =  1.9E+00                                  ! [atm] type: X, ref: gaffney84
Hvpx______75_05_8 =  1.2E+00                                  ! [atm] type: Q, ref: 3728
Hvpx______75_05_8 =  1.6E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______75_05_8 =  5.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______75_05_8 =  1.9E+00                                  ! [atm] type: Q, ref: 3689
Hvpx______75_05_8 =  7.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______75_05_8 =  1.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______75_05_8 =  1.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______75_05_8 =  1.9E+00                                  ! [atm] type: Q, ref: 2543
Hvpx______75_05_8 =  1.2E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______75_05_8 =  1.9E+01                                  ! [atm] type: Q, ref: 984
Hvpx______75_05_8 =  1.7E+00                                  ! [atm] type: Q, ref: 1162
Hvpx______75_05_8 =  1.9E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______75_05_8 =  1.5E+00                                  ! [atm] type: ?, ref: 2614
Hvpx______75_05_8 =  1.1E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______75_05_8 =  1.1E+00                                  ! [atm] type: ?, ref: 789
Hvpx______75_05_8 =  1.9E+00                                  ! [atm] type: ?, ref: 1500

! species:  propanenitrile
! formula:  C_2H_5CN
! trivial:  propionitrile
! casrn:    107-12-0
! inchikey: FVSKHRXBFJPNKK-UHFFFAOYSA-N
Hvpx_____107_12_0 =  1.6E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____107_12_0 =  2.2E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3621
Hvpx_____107_12_0 =  1.3E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____107_12_0 =  1.6E+00 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2524
Hvpx_____107_12_0 =  3.0E+00                                  ! [atm] type: M, ref: 3609
Hvpx_____107_12_0 =  2.2E+00                                  ! [atm] type: M, ref: 2457
Hvpx_____107_12_0 =  2.9E+00                                  ! [atm] type: M, ref: 2232
Hvpx_____107_12_0 =  2.1E+00                                  ! [atm] type: M, ref: 713
Hvpx_____107_12_0 =  1.7E+00                                  ! [atm] type: V, ref: 2614
Hvpx_____107_12_0 =  1.7E+00                                  ! [atm] type: V, ref: 636
Hvpx_____107_12_0 =  3.2E+00                                  ! [atm] type: X, ref: howard90
Hvpx_____107_12_0 =  1.6E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_12_0 =  5.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_12_0 =  1.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_12_0 =  2.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_12_0 =  1.9E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____107_12_0 =  9.8E-01                                  ! [atm] type: Q, ref: 731
Hvpx_____107_12_0 =  2.2E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____107_12_0 =  2.0E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____107_12_0 =  2.1E+00                                  ! [atm] type: ?, ref: 2614
Hvpx_____107_12_0 =  1.9E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____107_12_0 =  2.0E+00                                  ! [atm] type: ?, ref: 1500

! species:  butanenitrile
! formula:  C_3H_7CN
! trivial:  butyronitrile
! casrn:    109-74-0
! inchikey: KVNRLNFWIYMESJ-UHFFFAOYSA-N
Hvpx_____109_74_0 =  3.0E+00 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____109_74_0 =  3.0E+00 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3621
Hvpx_____109_74_0 =  2.0E+00 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2524
Hvpx_____109_74_0 =  4.1E+00                                  ! [atm] type: M, ref: 2930
Hvpx_____109_74_0 =  2.8E+00                                  ! [atm] type: M, ref: 2457
Hvpx_____109_74_0 =  3.8E+00                                  ! [atm] type: M, ref: 2232
Hvpx_____109_74_0 =  2.9E+00                                  ! [atm] type: M, ref: 713
Hvpx_____109_74_0 =  3.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_74_0 =  3.0E+00                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_74_0 =  1.5E+00                                  ! [atm] type: Q, ref: 3682
Hvpx_____109_74_0 =  4.4E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_74_0 =  5.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_74_0 =  3.1E+00                                  ! [atm] type: Q, ref: 3579
Hvpx_____109_74_0 =  1.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_74_0 =  3.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_74_0 =  3.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_74_0 =  9.6E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_74_0 =  2.8E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____109_74_0 =  1.0E+00                                  ! [atm] type: Q, ref: 731
Hvpx_____109_74_0 =  2.9E+00                                  ! [atm] type: Q, ref: 1162
Hvpx_____109_74_0 =  2.9E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____109_74_0 =  2.9E+00                                  ! [atm] type: ?, ref: 2614
Hvpx_____109_74_0 =  3.0E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____109_74_0 =  2.9E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-methylpropanenitrile
! formula:  C_4H_7N
! trivial:  isobutyronitrile
! casrn:    78-82-0
! inchikey: LRDFRRGEGBBSRN-UHFFFAOYSA-N
Hvpx______78_82_0 =  5.0E+00 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______78_82_0 =  5.5E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3621
Hvpx______78_82_0 =  5.8E+00                                  ! [atm] type: M, ref: 2457
Hvpx______78_82_0 =  3.0E+00                                  ! [atm] type: Q, ref: 3088
Hvpx______78_82_0 =  2.9E+00                                  ! [atm] type: Q, ref: 2521

! species:  pentanenitrile
! formula:  C_4H_9CN
! trivial:  butyl cyanide; valeronitrile
! casrn:    110-59-8
! inchikey: RFFFKMOABOFIDF-UHFFFAOYSA-N
Hvpx_____110_59_8 =  3.5E+00 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____110_59_8 =  4.0E+00 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3621
Hvpx_____110_59_8 =  3.8E+00                                  ! [atm] type: M, ref: 2457
Hvpx_____110_59_8 =  3.5E+00                                  ! [atm] type: V, ref: 2388
Hvpx_____110_59_8 =  2.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_59_8 =  4.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_59_8 =  3.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_59_8 =  1.3E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_59_8 =  3.6E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____110_59_8 =  3.6E+00                                  ! [atm] type: ?, ref: 1500

! species:  hexanenitrile
! formula:  C_6H_{11}N
! trivial:  
! casrn:    628-73-9
! inchikey: AILKHAQXUAOOFU-UHFFFAOYSA-N
Hvpx_____628_73_9 =  4.6E+00                                  ! [atm] type: L, ref: 3621
Hvpx_____628_73_9 =  2.4E+00                                  ! [atm] type: Q, ref: 2521

! species:  heptanenitrile
! formula:  C_7H_{13}N
! trivial:  
! casrn:    629-08-3
! inchikey: SDAXRHHPNYTELL-UHFFFAOYSA-N
Hvpx_____629_08_3 =  3.4E+00                                  ! [atm] type: Q, ref: 2521

! species:  octanenitrile
! formula:  C_8H_{15}N
! trivial:  
! casrn:    124-12-9
! inchikey: YSIMAPNUZAVQER-UHFFFAOYSA-N
Hvpx_____124_12_9 =  9.6E+00                                  ! [atm] type: L, ref: 3621
Hvpx_____124_12_9 =  4.3E+00                                  ! [atm] type: Q, ref: 2521

! species:  nonanenitrile
! formula:  C_9H_{17}N
! trivial:  
! casrn:    2243-27-8
! inchikey: PLZZPPHAMDJOSR-UHFFFAOYSA-N
Hvpx____2243_27_8 =  5.3E+00                                  ! [atm] type: Q, ref: 2521

! species:  decanenitrile
! formula:  C_{10}H_{19}N
! trivial:  
! casrn:    1975-78-6
! inchikey: HBZDPWBWBJMYRY-UHFFFAOYSA-N
Hvpx____1975_78_6 =  6.8E+00                                  ! [atm] type: Q, ref: 2521

! species:  undecanenitrile
! formula:  C_{11}H_{21}N
! trivial:  
! casrn:    2244-07-7
! inchikey: SZKKNEOUHLFYNA-UHFFFAOYSA-N
Hvpx____2244_07_7 =  8.9E+00                                  ! [atm] type: Q, ref: 2521

! species:  cyclohexanecarbonitrile
! formula:  C_7H_{11}N
! trivial:  
! casrn:    766-05-2
! inchikey: VBWIZSYFQSOUFQ-UHFFFAOYSA-N
Hvpx_____766_05_2 =  7.4E-01                                  ! [atm] type: Q, ref: 2521

! species:  ethanedinitrile
! formula:  C_2N_2
! trivial:  cyanogen
! casrn:    460-19-5
! inchikey: JMANVNJQNLATNU-UHFFFAOYSA-N
Hvpx_____460_19_5 =  3.0E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____460_19_5 =  3.0E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____460_19_5 =  2.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____460_19_5 =  2.9E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____460_19_5 =  3.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____460_19_5 =  2.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____460_19_5 =  1.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____460_19_5 =  2.9E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____460_19_5 =  3.0E+02                                  ! [atm] type: ?, ref: 789

! species:  pentanedinitrile
! formula:  C_5H_6N_2
! trivial:  
! casrn:    544-13-8
! inchikey: ZTOMUSMDRMJOTH-UHFFFAOYSA-N
Hvpx_____544_13_8 =  7.0E-04 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3621

! species:  hexanedinitrile
! formula:  C_6H_8N_2
! trivial:  adiponitrile
! casrn:    111-69-3
! inchikey: BTGRAWJCKBQKAO-UHFFFAOYSA-N
Hvpx_____111_69_3 =  3.8E-04 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3621
Hvpx_____111_69_3 =  6.7E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____111_69_3 =  6.7E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____111_69_3 =  2.2E-03                                  ! [atm] type: V, ref: 2614
Hvpx_____111_69_3 =  2.2E-03                                  ! [atm] type: V, ref: 636
Hvpx_____111_69_3 =  2.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_69_3 =  2.5E-04                                  ! [atm] type: Q, ref: 2521

! species:  2-methylpentanedinitrile
! formula:  C_6H_8N_2
! trivial:  
! casrn:    4553-62-2
! inchikey: FPPLREPCQJZDAQ-UHFFFAOYSA-N
Hvpx____4553_62_2 =  1.6E-03                                  ! [atm] type: Q, ref: 3088

! species:  tetramethylbutanedinitrile
! formula:  C_8H_{12}N_2
! trivial:  
! casrn:    3333-52-6
! inchikey: ZVQXQPNJHRNGID-UHFFFAOYSA-N
Hvpx____3333_52_6 =  2.9E-03                                  ! [atm] type: Q, ref: 3088

! species:  2-propenenitrile
! formula:  C_3H_3N
! trivial:  acrylonitrile
! casrn:    107-13-1
! inchikey: NLHHRLWOUZZQLW-UHFFFAOYSA-N
Hvpx_____107_13_1 =  5.4E+00 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____107_13_1 =  4.6E+00 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____107_13_1 =  7.2E+00                                  ! [atm] type: M, ref: 3609
Hvpx_____107_13_1 =  1.8E+01                                  ! [atm] type: M, ref: 3646
Hvpx_____107_13_1 =  4.2E+00                                  ! [atm] type: V, ref: 2614
Hvpx_____107_13_1 =  6.7E+00 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx_____107_13_1 =  6.0E+00                                  ! [atm] type: V, ref: 477
Hvpx_____107_13_1 =  4.2E+00                                  ! [atm] type: V, ref: 636
Hvpx_____107_13_1 =  5.6E+00                                  ! [atm] type: V, ref: 2439
Hvpx_____107_13_1 =  5.1E+00 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____107_13_1 =  4.9E+00                                  ! [atm] type: C, ref: 636
Hvpx_____107_13_1 =  5.1E+00                                  ! [atm] type: C, ref: 2235
Hvpx_____107_13_1 =  6.0E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_13_1 =  1.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_13_1 =  2.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_13_1 =  1.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_13_1 =  7.6E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____107_13_1 =  6.1E+00                                  ! [atm] type: ?, ref: 2614
Hvpx_____107_13_1 =  5.4E+00                                  ! [atm] type: ?, ref: 2440

! species:  2-butenenitrile
! formula:  C_4H_5N
! trivial:  crotononitrile
! casrn:    4786-20-3
! inchikey: NKKMVIVFRUYPLQ-NSCUHMNNSA-N
Hvpx____4786_20_3 =  6.2E+00                                  ! [atm] type: V, ref: 3586
Hvpx____4786_20_3 =  3.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____4786_20_3 =  2.1E+00                                  ! [atm] type: Q, ref: 2530

! species:  3-butenenitrile
! formula:  C_4H_5N
! trivial:  vinylacetonitrile
! casrn:    109-75-1
! inchikey: SJNALLRHIVGIBI-UHFFFAOYSA-N
Hvpx_____109_75_1 =  2.7E+00 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518

! species:  2-methyl-2-propene nitrile
! formula:  C_4H_5N
! trivial:  methacrylonitrile
! casrn:    126-98-7
! inchikey: GYCMBHHDWRMZGG-UHFFFAOYSA-N
Hvpx_____126_98_7 =  1.5E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____126_98_7 =  1.0E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____126_98_7 =  1.4E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____126_98_7 =  1.4E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____126_98_7 =  4.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____126_98_7 =  3.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____126_98_7 =  3.4E+00                                  ! [atm] type: Q, ref: 2530

! species:  benzenenitrile
! formula:  C_6H_5CN
! trivial:  benzonitrile
! casrn:    100-47-0
! inchikey: JFDZBHWFFUWGJE-UHFFFAOYSA-N
Hvpx_____100_47_0 =  1.6E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____100_47_0 =  1.9E+00 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2987
Hvpx_____100_47_0 =  2.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____100_47_0 =  2.9E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____100_47_0 =  2.8E+00                                  ! [atm] type: V, ref: 2614
Hvpx_____100_47_0 =  1.4E+00                                  ! [atm] type: V, ref: 2165
Hvpx_____100_47_0 =  2.9E+00                                  ! [atm] type: V, ref: 636
Hvpx_____100_47_0 =  2.8E+00                                  ! [atm] type: V, ref: 636
Hvpx_____100_47_0 =  1.1E+00                                  ! [atm] type: R, ref: 1501
Hvpx_____100_47_0 =  2.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_47_0 =  4.3E+00                                  ! [atm] type: Q, ref: 3689
Hvpx_____100_47_0 =  2.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_47_0 =  8.2E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_47_0 =  1.1E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____100_47_0 =  2.4E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____100_47_0 =  3.6E+00                                  ! [atm] type: Q, ref: 984
Hvpx_____100_47_0 =  5.7E-01                                  ! [atm] type: ?, ref: 2440
Hvpx_____100_47_0 =  3.0E+01                                  ! [atm] type: ?, ref: 789
Hvpx_____100_47_0 =  1.3E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-pyridinecarbonitrile
! formula:  C_6H_4N_2
! trivial:  
! casrn:    100-70-9
! inchikey: FFNVQNRYTPFDDP-UHFFFAOYSA-N
Hvpx_____100_70_9 =  3.8E-03                                  ! [atm] type: Q, ref: 3088

! species:  3,3'-iminobispropanenitrile
! formula:  C_6H_9N_3
! trivial:  
! casrn:    111-94-4
! inchikey: SBAJRGRUGUQKAF-UHFFFAOYSA-N
Hvpx_____111_94_4 =  2.8E-07                                  ! [atm] type: Q, ref: 3088

! species:  2-methylbenzonitrile
! formula:  C_8H_7N
! trivial:  $o$-tolunitrile
! casrn:    529-19-1
! inchikey: NWPNXBQSRGKSJB-UHFFFAOYSA-N
Hvpx_____529_19_1 =  7.2E-01                                  ! [atm] type: V, ref: 2165

! species:  3-methylbenzonitrile
! formula:  C_8H_7N
! trivial:  $m$-tolunitrile
! casrn:    620-22-4
! inchikey: BOHCMQZJWOGWTA-UHFFFAOYSA-N
Hvpx_____620_22_4 =  3.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____620_22_4 =  1.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____620_22_4 =  6.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____620_22_4 =  3.0E+00                                  ! [atm] type: Q, ref: 2995

! species:  benzeneacetonitrile
! formula:  C_8H_7N
! trivial:  phenylacetonitrile
! casrn:    140-29-4
! inchikey: SUSQOBVLVYHIEX-UHFFFAOYSA-N
Hvpx_____140_29_4 =  5.0E-01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____140_29_4 =  7.7E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____140_29_4 =  5.4E-02                                  ! [atm] type: Q, ref: 2521

! species:  1,2-benzenedicarbonitrile
! formula:  C_8H_4N_2
! trivial:  
! casrn:    91-15-6
! inchikey: XQZYPMVTSDWCCE-UHFFFAOYSA-N
Hvpx______91_15_6 =  2.8E-02                                  ! [atm] type: Q, ref: 3088

! species:  3,7-dimethyl-2,6-octadienenitrile
! formula:  C_{10}H_{15}N
! trivial:  geranyl nitrile
! casrn:    5146-66-7
! inchikey: HLCSDJLATUNSSI-JXMROGBWSA-N
Hvpx____5146_66_7 =  1.9E+01                                  ! [atm] type: M, ref: 2955

! species:  2,2'-azobis(2-methylbutyronitrile)
! formula:  C_{10}H_{16}N_4
! trivial:  
! casrn:    13472-08-7
! inchikey: AVTLBBWTUPQRAY-UHFFFAOYSA-N
Hvpx___13472_08_7 =  1.2E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___13472_08_7 =  5.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___13472_08_7 =  3.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___13472_08_7 =  1.2E+00                                  ! [atm] type: Q, ref: 2995

! species:  formamide
! formula:  CH_3NO
! trivial:  
! casrn:    75-12-7
! inchikey: ZHNUHDYFZUAESO-UHFFFAOYSA-N
Hvpx______75_12_7 =  7.7E-05                                  ! [atm] type: V, ref: 3586
Hvpx______75_12_7 =  7.7E-05                                  ! [atm] type: V, ref: 3088
Hvpx______75_12_7 =  2.3E-03                                  ! [atm] type: Q, ref: 3586

! species:  methyl nitrite
! formula:  CH_3ONO
! trivial:  
! casrn:    624-91-9
! inchikey: BLLFVUPNHCTMSV-UHFFFAOYSA-N
Hvpx_____624_91_9 =  3.7E+00                                  ! [atm] type: Q, ref: 3088

! species:  urea
! formula:  CH_4N_2O
! trivial:  
! casrn:    57-13-6
! inchikey: XSQUKJJJFZCRTK-UHFFFAOYSA-N
Hvpx______57_13_6 =  9.6E-08                                  ! [atm] type: V, ref: 3586
Hvpx______57_13_6 =  9.6E-08                                  ! [atm] type: V, ref: 3088
Hvpx______57_13_6 =  5.2E-08                                  ! [atm] type: V, ref: 2614
Hvpx______57_13_6 =  5.2E-08                                  ! [atm] type: V, ref: 636
Hvpx______57_13_6 =  4.9E-06                                  ! [atm] type: Q, ref: 3586

! species:  ethanolamine
! formula:  HOC_2H_4NH_2
! trivial:  
! casrn:    141-43-5
! inchikey: HZAXFHJVJLSVMW-UHFFFAOYSA-N
Hvpx_____141_43_5 =  1.3E-04 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3654
Hvpx_____141_43_5 =  9.1E-06                                  ! [atm] type: M, ref: 641
Hvpx_____141_43_5 =  4.8E-05                                  ! [atm] type: Q, ref: 2530
Hvpx_____141_43_5 =  5.7E-04 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3584

! species:  1,1'-azodiformamide
! formula:  C_2H_4N_4O_2
! trivial:  
! casrn:    123-77-3
! inchikey: XOZUGNYVDXMRKW-UHFFFAOYSA-N
Hvpx_____123_77_3 =  4.5E-08                                  ! [atm] type: V, ref: 3088

! species:  ethyl nitrite
! formula:  C_2H_5ONO
! trivial:  
! casrn:    109-95-5
! inchikey: QQZWEECEMNQSTG-UHFFFAOYSA-N
Hvpx_____109_95_5 =  4.8E+00                                  ! [atm] type: Q, ref: 3088

! species:  carbamic acid, methyl ester
! formula:  C_2H_5NO_2
! trivial:  
! casrn:    598-55-0
! inchikey: GTCAXTIRRLKXRU-UHFFFAOYSA-N
Hvpx_____598_55_0 =  2.2E-03                                  ! [atm] type: Q, ref: 3088

! species:  acetaldoxime
! formula:  C_2H_5NO
! trivial:  acetaldehyde oxime
! casrn:    107-29-9
! inchikey: FZENGILVLUJGJX-UHFFFAOYSA-N
Hvpx_____107_29_9 =  3.3E-01                                  ! [atm] type: Q, ref: 3088

! species:  ethanamide
! formula:  C_2H_5NO
! trivial:  acetamide
! casrn:    60-35-5
! inchikey: DLFVBJFMPXGRIB-UHFFFAOYSA-N
Hvpx______60_35_5 =  1.0E-04                                  ! [atm] type: M, ref: 2379
Hvpx______60_35_5 =  1.9E-04                                  ! [atm] type: V, ref: 2614
Hvpx______60_35_5 =  1.9E-04                                  ! [atm] type: V, ref: 636
Hvpx______60_35_5 =  1.4E-04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______60_35_5 =  6.1E-04                                  ! [atm] type: Q, ref: 3088
Hvpx______60_35_5 =  1.9E-04                                  ! [atm] type: Q, ref: 3406
Hvpx______60_35_5 =  1.5E-04                                  ! [atm] type: Q, ref: 3579
Hvpx______60_35_5 =  1.3E-04                                  ! [atm] type: Q, ref: 2521
Hvpx______60_35_5 =  1.1E-04                                  ! [atm] type: Q, ref: 2530
Hvpx______60_35_5 =  2.5E-04                                  ! [atm] type: Q, ref: 2535
Hvpx______60_35_5 =  2.5E-03                                  ! [atm] type: Q, ref: 3764

! species:  N-methylmethanamide
! formula:  C_2H_5NO
! trivial:  N-methylformamide
! casrn:    123-39-7
! inchikey: ATHHXGZTWNVVOU-UHFFFAOYSA-N
Hvpx_____123_39_7 =  4.0E-04 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____123_39_7 =  4.0E-04 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____123_39_7 =  4.0E-04 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____123_39_7 =  3.7E-04 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2601
Hvpx_____123_39_7 =  1.1E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____123_39_7 =  1.1E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____123_39_7 =  5.6E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____123_39_7 =  9.8E-04                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_39_7 =  3.4E-03                                  ! [atm] type: Q, ref: 2530

! species:  N-nitrosodimethylamine
! formula:  C_2H_6N_2O
! trivial:  
! casrn:    62-75-9
! inchikey: UMFJAHHVKNCGLG-UHFFFAOYSA-N
Hvpx______62_75_9 =  1.4E-01                                  ! [atm] type: L, ref: 3500
Hvpx______62_75_9 =  1.4E-01                                  ! [atm] type: L, ref: 3245
Hvpx______62_75_9 =  1.9E+00 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3680
Hvpx______62_75_9 =  1.3E-01                                  ! [atm] type: M, ref: 3524
Hvpx______62_75_9 =  8.9E-02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3080
Hvpx______62_75_9 =  1.0E-01                                  ! [atm] type: M, ref: 3082
Hvpx______62_75_9 =  1.8E+00                                  ! [atm] type: C, ref: 636
Hvpx______62_75_9 =  5.8E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______62_75_9 =  1.5E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______62_75_9 =  1.8E+00                                  ! [atm] type: ?, ref: 2614

! species:  methylnitrosourea
! formula:  C_2H_5N_3O_2
! trivial:  
! casrn:    684-93-5
! inchikey: ZRKWMRDKSOPRRS-UHFFFAOYSA-N
Hvpx_____684_93_5 =  2.8E-03                                  ! [atm] type: M, ref: 3082

! species:  ethanediamide
! formula:  C_2H_4N_2O_2
! trivial:  
! casrn:    471-46-5
! inchikey: YIKSCQDJHCMVMK-UHFFFAOYSA-N
Hvpx_____471_46_5 =  1.1E-06                                  ! [atm] type: V, ref: 3586
Hvpx_____471_46_5 =  2.5E-07                                  ! [atm] type: Q, ref: 3586

! species:  nitrosoazetidine
! formula:  C_3H_6N_2O
! trivial:  
! casrn:    15216-10-1
! inchikey: SNKTZBNDUVWOAZ-UHFFFAOYSA-N
Hvpx___15216_10_1 =  2.8E-03                                  ! [atm] type: M, ref: 3082

! species:  methylnitrosoacetamide
! formula:  C_3H_6N_2O_2
! trivial:  
! casrn:    7417-67-6
! inchikey: FFLFWNRFMZRFKU-UHFFFAOYSA-N
Hvpx____7417_67_6 =  6.3E+00                                  ! [atm] type: M, ref: 3082

! species:  ethylnitrosocyanamide
! formula:  C_3H_5N_3O
! trivial:  
! casrn:    38434-77-4
! inchikey: LMIMSGCBKHFTDY-UHFFFAOYSA-N
Hvpx___38434_77_4 =  2.1E+00                                  ! [atm] type: M, ref: 3082

! species:  2-propenamide
! formula:  C_3H_5NO
! trivial:  acrylamide
! casrn:    79-06-1
! inchikey: HRPVXLWXLXDGHG-UHFFFAOYSA-N
Hvpx______79_06_1 =  9.4E-05                                  ! [atm] type: V, ref: 3586
Hvpx______79_06_1 =  1.0E-04                                  ! [atm] type: V, ref: 3088
Hvpx______79_06_1 =  7.9E-05                                  ! [atm] type: V, ref: 2614
Hvpx______79_06_1 =  1.7E-05                                  ! [atm] type: V, ref: 477
Hvpx______79_06_1 =  7.9E-05                                  ! [atm] type: V, ref: 636
Hvpx______79_06_1 =  1.9E-05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______79_06_1 =  1.3E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______79_06_1 =  7.5E-04                                  ! [atm] type: Q, ref: 3406
Hvpx______79_06_1 =  1.9E-05                                  ! [atm] type: Q, ref: 3579
Hvpx______79_06_1 =  1.3E-04                                  ! [atm] type: Q, ref: 2521
Hvpx______79_06_1 =  7.5E-05                                  ! [atm] type: Q, ref: 2530

! species:  methylvinylnitrosamine
! formula:  C_3H_6N_2O
! trivial:  N-nitrosomethylvinylamine
! casrn:    4549-40-0
! inchikey: AWZVYNHQGTZJIH-UHFFFAOYSA-N
Hvpx____4549_40_0 =  2.0E-01                                  ! [atm] type: Q, ref: 3088

! species:  urethane
! formula:  C_3H_7NO_2
! trivial:  
! casrn:    51-79-6
! inchikey: JOYRKODLDBILNP-UHFFFAOYSA-N
Hvpx______51_79_6 =  3.6E-03                                  ! [atm] type: V, ref: 3586
Hvpx______51_79_6 =  3.5E-03                                  ! [atm] type: V, ref: 3088
Hvpx______51_79_6 =  2.2E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______51_79_6 =  5.1E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______51_79_6 =  8.6E-03                                  ! [atm] type: Q, ref: 2530
Hvpx______51_79_6 =  7.4E-03                                  ! [atm] type: Q, ref: 3764

! species:  propanamide
! formula:  C_3H_7NO
! trivial:  propionamide
! casrn:    79-05-0
! inchikey: QLNJFJADRCOGBJ-UHFFFAOYSA-N
Hvpx______79_05_0 =  1.7E-04 * EXP(  -8800.*(1./T-1./298.15)) ! [atm] type: T, ref: 3674

! species:  N,N-dimethylmethanamide
! formula:  C_3H_7NO
! trivial:  N,N-dimethylformamide
! casrn:    68-12-2
! inchikey: ZMXDDKWLCZADIW-UHFFFAOYSA-N
Hvpx______68_12_2 =  4.3E-03 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______68_12_2 =  4.3E-03 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______68_12_2 =  3.9E-03 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______68_12_2 =  3.3E-03 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2601
Hvpx______68_12_2 =  2.5E-03                                  ! [atm] type: R, ref: 1501
Hvpx______68_12_2 =  1.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______68_12_2 =  9.4E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______68_12_2 =  2.1E-02                                  ! [atm] type: Q, ref: 3764
Hvpx______68_12_2 =  2.5E-03                                  ! [atm] type: Q, ref: 984
Hvpx______68_12_2 =  3.4E-03                                  ! [atm] type: Q, ref: 2531

! species:  N-methylacetamide
! formula:  C_3H_7NO
! trivial:  
! casrn:    79-16-3
! inchikey: OHLUUHNLEMFGTQ-UHFFFAOYSA-N
Hvpx______79_16_3 =  2.6E-04 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_16_3 =  2.6E-04 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______79_16_3 =  1.7E-04 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2601
Hvpx______79_16_3 =  2.3E-03                                  ! [atm] type: V, ref: 3586
Hvpx______79_16_3 =  2.3E-03                                  ! [atm] type: V, ref: 3088
Hvpx______79_16_3 =  1.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______79_16_3 =  4.0E-03                                  ! [atm] type: Q, ref: 2530

! species:  N-methyl-N-nitrosoethanamine
! formula:  C_3H_8N_2O
! trivial:  N-nitrosomethylethylamine
! casrn:    10595-95-6
! inchikey: RTDCJKARQCRONF-UHFFFAOYSA-N
Hvpx___10595_95_6 =  8.0E-02                                  ! [atm] type: Q, ref: 3088

! species:  2-methoxyethanamine
! formula:  C_3H_9NO
! trivial:  2-methoxyethylamine
! casrn:    109-85-3
! inchikey: ASUDFOJKTJLAIK-UHFFFAOYSA-N
Hvpx_____109_85_3 =  2.2E-02 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: T, ref: 2381

! species:  2-(methylamino)ethanol
! formula:  C_3H_9NO
! trivial:  
! casrn:    109-83-1
! inchikey: OPKOKAMJFNKNAS-UHFFFAOYSA-N
Hvpx_____109_83_1 =  6.1E-03                                  ! [atm] type: V, ref: 3088

! species:  1-amino-2-propanol
! formula:  C_3H_9NO
! trivial:  
! casrn:    78-96-6
! inchikey: HXKKHQJGJAFBHI-UHFFFAOYSA-N
Hvpx______78_96_6 =  1.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  2-amino-1-propanol
! formula:  C_3H_9NO
! trivial:  alaninol
! casrn:    6168-72-5
! inchikey: BKMMTJMQCTUHRP-UHFFFAOYSA-N
Hvpx____6168_72_5 =  4.3E-04 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584

! species:  N-nitroso-N-methylurethane
! formula:  C_4H_8N_2O_3
! trivial:  N-nitroso-N-methylurethane
! casrn:    615-53-2
! inchikey: CAUBWLYZCDDYEF-UHFFFAOYSA-N
Hvpx_____615_53_2 =  1.4E+00                                  ! [atm] type: M, ref: 3082
Hvpx_____615_53_2 =  3.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____615_53_2 =  3.0E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____615_53_2 =  3.5E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____615_53_2 =  1.7E-02                                  ! [atm] type: Q, ref: 2530

! species:  dinitrosopiperazine
! formula:  C_4H_8N_4O_2
! trivial:  
! casrn:    140-79-4
! inchikey: WNSYEWGYAFFSSQ-UHFFFAOYSA-N
Hvpx_____140_79_4 =  2.8E-03                                  ! [atm] type: M, ref: 3082

! species:  2-amino-3(methylamino)propionic acid
! formula:  C_4H_{10}N_2O_2
! trivial:  3-(methylamino)-(DL)-alanine
! casrn:    16676-91-8
! inchikey: UJVHVMNGOZXSOZ-UHFFFAOYSA-N
Hvpx___16676_91_8 =  1.9E-08                                  ! [atm] type: Q, ref: 3088

! species:  N-nitrosodiethanolamine
! formula:  C_4H_{10}N_2O_3
! trivial:  
! casrn:    1116-54-7
! inchikey: YFCDLVPYFMHRQZ-UHFFFAOYSA-N
Hvpx____1116_54_7 =  2.7E-07                                  ! [atm] type: Q, ref: 3088

! species:  N-nitrosodiethylamine
! formula:  C_4H_{10}N_2O
! trivial:  
! casrn:    55-18-5
! inchikey: WBNQDOYYEUMPFS-UHFFFAOYSA-N
Hvpx______55_18_5 =  4.4E+01 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3680
Hvpx______55_18_5 =  9.8E-02 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3080
Hvpx______55_18_5 =  3.8E-01                                  ! [atm] type: M, ref: 3082
Hvpx______55_18_5 =  7.7E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______55_18_5 =  7.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______55_18_5 =  1.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______55_18_5 =  2.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______55_18_5 =  2.0E-01                                  ! [atm] type: ?, ref: 3586

! species:  diethanolamine
! formula:  C_4H_{11}NO_2
! trivial:  
! casrn:    111-42-2
! inchikey: ZBCBWPMODOFKDW-UHFFFAOYSA-N
Hvpx_____111_42_2 =  1.6E-04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584
Hvpx_____111_42_2 =  2.1E-06                                  ! [atm] type: V, ref: 3586
Hvpx_____111_42_2 =  2.2E-06                                  ! [atm] type: V, ref: 3088
Hvpx_____111_42_2 =  5.5E-05                                  ! [atm] type: Q, ref: 3586

! species:  diglycolamine
! formula:  C_4H_{11}NO_2
! trivial:  
! casrn:    929-06-6
! inchikey: GIAFURWZWWWBQT-UHFFFAOYSA-N
Hvpx_____929_06_6 =  9.0E-05 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584

! species:  3-methoxy-1-propanamine
! formula:  C_4H_{11}NO
! trivial:  3-methoxypropylamine
! casrn:    5332-73-0
! inchikey: FAXDZWQIWUSWJH-UHFFFAOYSA-N
Hvpx____5332_73_0 =  2.6E-02                                  ! [atm] type: M, ref: 3426
Hvpx____5332_73_0 =  1.1E-02 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: T, ref: 2381
Hvpx____5332_73_0 =  1.1E-02                                  ! [atm] type: Q, ref: 3426
Hvpx____5332_73_0 =  3.9E-02                                  ! [atm] type: Q, ref: 3426

! species:  2-amino-2-methyl-1-propanol
! formula:  C_4H_{11}NO
! trivial:  
! casrn:    124-68-5
! inchikey: CBTVGIZVANVGBH-UHFFFAOYSA-N
Hvpx_____124_68_5 =  2.5E-03                                  ! [atm] type: M, ref: 3426
Hvpx_____124_68_5 =  7.8E-04 * EXP(  -8500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584
Hvpx_____124_68_5 =  3.1E-03                                  ! [atm] type: Q, ref: 3426
Hvpx_____124_68_5 =  5.9E-03                                  ! [atm] type: Q, ref: 3426

! species:  N,N-dimethylaminoethanol
! formula:  C_4H_{11}NO
! trivial:  dimethylethanolamine
! casrn:    108-01-0
! inchikey: UEEJHVSXFDXPFK-UHFFFAOYSA-N
Hvpx_____108_01_0 =  5.9E-03 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584
Hvpx_____108_01_0 =  2.1E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____108_01_0 =  1.3E-03                                  ! [atm] type: Q, ref: 3586

! species:  2-[(2-aminoethyl)amino]ethanol
! formula:  C_4H_{12}N_2O
! trivial:  
! casrn:    111-41-1
! inchikey: LHIJANUOQQMGNT-UHFFFAOYSA-N
Hvpx_____111_41_1 =  6.1E-09                                  ! [atm] type: Q, ref: 3088

! species:  tetramethylammonium hydroxide
! formula:  C_4H_{13}NO
! trivial:  
! casrn:    75-59-2
! inchikey: WGTYBPLFGIVFAS-UHFFFAOYSA-M
Hvpx______75_59_2 =  2.4E-11                                  ! [atm] type: Q, ref: 3088

! species:  methacrylamide
! formula:  C_4H_7NO
! trivial:  
! casrn:    79-39-0
! inchikey: FQPSGWSUVKBHSU-UHFFFAOYSA-N
Hvpx______79_39_0 =  6.2E-05                                  ! [atm] type: ?, ref: 3766

! species:  acetone cyanohydrin
! formula:  C_4H_7NO
! trivial:  
! casrn:    75-86-5
! inchikey: MWFMGBPGAXYFAR-UHFFFAOYSA-N
Hvpx______75_86_5 =  6.8E-03                                  ! [atm] type: V, ref: 3088

! species:  carbamic acid, 1-methylethyl ester
! formula:  C_4H_9NO_2
! trivial:  
! casrn:    1746-77-6
! inchikey: OVPLZYJGTGDFNB-UHFFFAOYSA-N
Hvpx____1746_77_6 =  3.9E-03                                  ! [atm] type: Q, ref: 3088

! species:  propylcarbamate
! formula:  C_4H_9NO_2
! trivial:  
! casrn:    627-12-3
! inchikey: YNTOKMNHRPSGFU-UHFFFAOYSA-N
Hvpx_____627_12_3 =  5.4E-03                                  ! [atm] type: V, ref: 3088

! species:  butanamide
! formula:  C_4H_9NO
! trivial:  
! casrn:    541-35-5
! inchikey: DNSISZSEWVHGLH-UHFFFAOYSA-N
Hvpx_____541_35_5 =  1.5E-04                                  ! [atm] type: ?, ref: 3766

! species:  N,N-dimethylacetamide
! formula:  C_4H_9NO
! trivial:  
! casrn:    127-19-5
! inchikey: FXHOOIRPVKKKFG-UHFFFAOYSA-N
Hvpx_____127_19_5 =  8.9E-03 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____127_19_5 =  8.9E-03 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____127_19_5 =  1.2E-03 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____127_19_5 =  1.3E-03 * EXP(  -8600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2601
Hvpx_____127_19_5 =  3.2E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____127_19_5 =  4.2E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____127_19_5 =  1.5E-03                                  ! [atm] type: Q, ref: 2531

! species:  2-butanone, oxime
! formula:  C_4H_9NO
! trivial:  
! casrn:    96-29-7
! inchikey: WHIVNJATOVLWBW-UHFFFAOYSA-N
Hvpx______96_29_7 =  6.8E-02                                  ! [atm] type: V, ref: 3088

! species:  nitrosoethylurethane
! formula:  C_5H_{10}N_2O_3
! trivial:  N-ethyl-N-nitrosourethane
! casrn:    614-95-9
! inchikey: RAUQLNDTFONODT-UHFFFAOYSA-N
Hvpx_____614_95_9 =  1.1E-03                                  ! [atm] type: Q, ref: 3088

! species:  N,N-diethylmethanamide
! formula:  C_5H_{11}NO
! trivial:  N,N-diethylformamide
! casrn:    617-84-5
! inchikey: SUAKHGWARZSWIH-UHFFFAOYSA-N
Hvpx_____617_84_5 =  4.1E-03                                  ! [atm] type: Q, ref: 2535

! species:  N-nitroso-N-butylurea
! formula:  C_5H_{11}N_3O_2
! trivial:  
! casrn:    869-01-2
! inchikey: LSWOCDLIYSKTRX-UHFFFAOYSA-N
Hvpx_____869_01_2 =  1.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  N-methyldiethanolamine
! formula:  C_5H_{13}NO_2
! trivial:  
! casrn:    105-59-9
! inchikey: CRVGTESFCCXCTH-UHFFFAOYSA-N
Hvpx_____105_59_9 =  1.7E-04                                  ! [atm] type: M, ref: 3426
Hvpx_____105_59_9 =  1.4E-04 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584
Hvpx_____105_59_9 =  1.4E-06 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3654
Hvpx_____105_59_9 =  1.7E-06                                  ! [atm] type: V, ref: 3586
Hvpx_____105_59_9 =  1.7E-06                                  ! [atm] type: V, ref: 3088
Hvpx_____105_59_9 =  4.3E-06                                  ! [atm] type: Q, ref: 3586
Hvpx_____105_59_9 =  2.3E-04                                  ! [atm] type: Q, ref: 3426
Hvpx_____105_59_9 =  2.9E-04                                  ! [atm] type: Q, ref: 3426

! species:  methylbutylnitrosamine
! formula:  C_5H_{12}N_2O
! trivial:  
! casrn:    7068-83-9
! inchikey: PKTSCJXWLVREKX-UHFFFAOYSA-N
Hvpx____7068_83_9 =  3.3E-01                                  ! [atm] type: M, ref: 3082

! species:  2-(isopropylamino)ethanol
! formula:  C_5H_{13}NO
! trivial:  
! casrn:    109-56-8
! inchikey: RILLZYSZSDGYGV-UHFFFAOYSA-N
Hvpx_____109_56_8 =  4.9E-03                                  ! [atm] type: M, ref: 3426
Hvpx_____109_56_8 =  3.8E-02                                  ! [atm] type: Q, ref: 3426
Hvpx_____109_56_8 =  1.0E-02                                  ! [atm] type: Q, ref: 3426

! species:  3-(dimethylamino)-1,2-propanediol
! formula:  C_5H_{13}NO_2
! trivial:  
! casrn:    623-57-4
! inchikey: QCMHUGYTOGXZIW-UHFFFAOYSA-N
Hvpx_____623_57_4 =  8.1E-04                                  ! [atm] type: M, ref: 3426
Hvpx_____623_57_4 =  8.9E-05                                  ! [atm] type: Q, ref: 3426
Hvpx_____623_57_4 =  8.6E-04                                  ! [atm] type: Q, ref: 3426

! species:  2-amino-2-ethyl-1,3-propanediol
! formula:  C_5H_{13}NO_2
! trivial:  
! casrn:    115-70-8
! inchikey: IOAOAKDONABGPZ-UHFFFAOYSA-N
Hvpx_____115_70_8 =  7.7E-04                                  ! [atm] type: M, ref: 3426
Hvpx_____115_70_8 =  1.4E-05                                  ! [atm] type: Q, ref: 3426
Hvpx_____115_70_8 =  2.0E-04                                  ! [atm] type: Q, ref: 3426

! species:  daminozide
! formula:  C_6H_{11}NO_3
! trivial:  
! casrn:    1596-84-5
! inchikey: NOQGZXFMHARMLW-UHFFFAOYSA-N
Hvpx____1596_84_5 =  2.3E-05                                  ! [atm] type: V, ref: 3586
Hvpx____1596_84_5 =  1.3E-04                                  ! [atm] type: Q, ref: 3586
Hvpx____1596_84_5 =  7.8E-03                                  ! [atm] type: ?, ref: 3549

! species:  methylpentylnitrosamine
! formula:  C_6H_{14}N_2O
! trivial:  
! casrn:    13256-07-0
! inchikey: KSFCDINBDBFFSI-UHFFFAOYSA-N
Hvpx___13256_07_0 =  2.7E-01                                  ! [atm] type: M, ref: 3082

! species:  ethylbutylnitrosamine
! formula:  C_6H_{14}N_2O
! trivial:  
! casrn:    4549-44-4
! inchikey: ZGMCNGHHUQZNIH-UHFFFAOYSA-N
Hvpx____4549_44_4 =  5.5E-01                                  ! [atm] type: M, ref: 3082

! species:  nitrosohexamethyleneimine
! formula:  C_6H_{12}N_2O
! trivial:  
! casrn:    932-83-2
! inchikey: UZMVSVHUTOAPTD-UHFFFAOYSA-N
Hvpx_____932_83_2 =  1.3E-02                                  ! [atm] type: M, ref: 3082

! species:  2,6-dimethylnitrosomorpholine
! formula:  C_6H_{12}N_2O_2
! trivial:  
! casrn:    1456-28-6
! inchikey: DPYMAXOKJUBANR-UHFFFAOYSA-N
Hvpx____1456_28_6 =  1.5E-02                                  ! [atm] type: M, ref: 3082

! species:  2,6-dimethyldinitrosopiperazine
! formula:  C_6H_{12}N_4O_2
! trivial:  
! casrn:    55380-34-2
! inchikey: JIWAGFGPBKDFQN-UHFFFAOYSA-N
Hvpx___55380_34_2 =  2.8E-03                                  ! [atm] type: M, ref: 3082

! species:  N-(1-methylethyl)-2-propenamide
! formula:  C_6H_{11}NO
! trivial:  N-isopropylacrylamide
! casrn:    2210-25-5
! inchikey: QNILTEGFHQSKFF-UHFFFAOYSA-N
Hvpx____2210_25_5 =  1.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  hexanamide
! formula:  C_6H_{13}NO
! trivial:  
! casrn:    628-02-4
! inchikey: ALBYIUDWACNRRB-UHFFFAOYSA-N
Hvpx_____628_02_4 =  3.0E-04                                  ! [atm] type: ?, ref: 3766

! species:  N-butylacetamide
! formula:  C_6H_{13}NO
! trivial:  
! casrn:    1119-49-9
! inchikey: GYLDXXLJMRTVSS-UHFFFAOYSA-N
Hvpx____1119_49_9 =  2.0E-04                                  ! [atm] type: M, ref: 2014
Hvpx____1119_49_9 =  1.1E-03                                  ! [atm] type: Q, ref: 2521

! species:  N-(1-methylethyl)-N-nitroso-2-propanamine
! formula:  C_6H_{14}N_2O
! trivial:  nitrosodiisopropylamine
! casrn:    601-77-4
! inchikey: AUIKJTGFPFLMFP-UHFFFAOYSA-N
Hvpx_____601_77_4 =  4.5E-01                                  ! [atm] type: M, ref: 3082
Hvpx_____601_77_4 =  1.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____601_77_4 =  5.0E-01                                  ! [atm] type: Q, ref: 2530

! species:  N-nitrosodipropylamine
! formula:  C_6H_{14}N_2O
! trivial:  N,N-dipropylnitrosamine
! casrn:    621-64-7
! inchikey: YLKFDHTUAUWZPQ-UHFFFAOYSA-N
Hvpx_____621_64_7 =  3.1E-01                                  ! [atm] type: M, ref: 3082
Hvpx_____621_64_7 =  1.9E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____621_64_7 =  1.9E-01                                  ! [atm] type: V, ref: 636
Hvpx_____621_64_7 =  3.5E-01                                  ! [atm] type: C, ref: 636
Hvpx_____621_64_7 =  9.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____621_64_7 =  4.2E-01                                  ! [atm] type: Q, ref: 2530

! species:  N-(2-hydroxyethyl)piperazine
! formula:  C_6H_{14}N_2O
! trivial:  
! casrn:    103-76-4
! inchikey: WFCSWCVEJLETKA-UHFFFAOYSA-N
Hvpx_____103_76_4 =  1.9E-04 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584

! species:  N-ethyldiethanolamine
! formula:  C_6H_{15}NO_2
! trivial:  
! casrn:    139-87-7
! inchikey: AKNUHUCEWALCOI-UHFFFAOYSA-N
Hvpx_____139_87_7 =  6.1E-06                                  ! [atm] type: Q, ref: 3088

! species:  triethanolamine
! formula:  C_6H_{15}NO_3
! trivial:  
! casrn:    102-71-6
! inchikey: GSEJCLTVZPLZKY-UHFFFAOYSA-N
Hvpx_____102_71_6 =  3.9E-08                                  ! [atm] type: V, ref: 3586
Hvpx_____102_71_6 =  3.9E-08                                  ! [atm] type: V, ref: 3088
Hvpx_____102_71_6 =  1.6E-08                                  ! [atm] type: Q, ref: 3586

! species:  $o$-aminophenol
! formula:  C_6H_7NO
! trivial:  2-aminophenol
! casrn:    95-55-6
! inchikey: CDAWCLOXVUBKRW-UHFFFAOYSA-N
Hvpx______95_55_6 =  1.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  4-aminophenol
! formula:  C_6H_7NO
! trivial:  
! casrn:    123-30-8
! inchikey: PLIKAWJENQZMHA-UHFFFAOYSA-N
Hvpx_____123_30_8 =  2.0E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____123_30_8 =  2.0E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____123_30_8 =  3.0E-05                                  ! [atm] type: Q, ref: 3586

! species:  3-aminophenol
! formula:  C_6H_7NO
! trivial:  
! casrn:    591-27-5
! inchikey: CWLKGDAVCFYWJK-UHFFFAOYSA-N
Hvpx_____591_27_5 =  1.5E-05                                  ! [atm] type: Q, ref: 3088

! species:  4-(2-hydroxyethyl)morpholine
! formula:  C_6H_{13}NO_2
! trivial:  
! casrn:    622-40-2
! inchikey: KKFDCBRMNNSAAW-UHFFFAOYSA-N
Hvpx_____622_40_2 =  3.9E-04                                  ! [atm] type: M, ref: 3426
Hvpx_____622_40_2 =  9.1E-03                                  ! [atm] type: Q, ref: 3426
Hvpx_____622_40_2 =  3.3E-04                                  ! [atm] type: Q, ref: 3426

! species:  4-hydroxy-N-methylpiperidine
! formula:  C_6H_{13}NO
! trivial:  
! casrn:    106-52-5
! inchikey: BAUWRHPMUVYFOD-UHFFFAOYSA-N
Hvpx_____106_52_5 =  4.0E-04                                  ! [atm] type: M, ref: 3426
Hvpx_____106_52_5 =  1.2E-04                                  ! [atm] type: Q, ref: 3426
Hvpx_____106_52_5 =  5.1E-04                                  ! [atm] type: Q, ref: 3426

! species:  dimethylaminoethoxyethanol
! formula:  C_6H_{15}NO_2
! trivial:  
! casrn:    1704-62-7
! inchikey: YSAANLSYLSUVHB-UHFFFAOYSA-N
Hvpx____1704_62_7 =  6.6E-04                                  ! [atm] type: M, ref: 3426
Hvpx____1704_62_7 =  1.3E-04 * EXP(  -8500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584
Hvpx____1704_62_7 =  9.8E-04                                  ! [atm] type: Q, ref: 3426
Hvpx____1704_62_7 =  8.9E-04                                  ! [atm] type: Q, ref: 3426

! species:  2-(diethylamino)ethanol
! formula:  C_6H_{15}NO
! trivial:  
! casrn:    100-37-8
! inchikey: BFSVOASYOCHEOV-UHFFFAOYSA-N
Hvpx_____100_37_8 =  9.3E-02                                  ! [atm] type: M, ref: 3426
Hvpx_____100_37_8 =  1.7E-01                                  ! [atm] type: Q, ref: 3426
Hvpx_____100_37_8 =  3.1E-02                                  ! [atm] type: Q, ref: 3426

! species:  bis(2-methoxyethyl)amine
! formula:  C_6H_{15}NO_2
! trivial:  
! casrn:    111-95-5
! inchikey: IBZKBSXREAQDTO-UHFFFAOYSA-N
Hvpx_____111_95_5 =  5.2E-03                                  ! [atm] type: M, ref: 3426
Hvpx_____111_95_5 =  2.4E-03                                  ! [atm] type: Q, ref: 3426
Hvpx_____111_95_5 =  3.7E-03                                  ! [atm] type: Q, ref: 3426

! species:  cyclohexanone oxime
! formula:  C_6H_{11}NO
! trivial:  
! casrn:    100-64-1
! inchikey: VEZUQRBDRNJBJY-UHFFFAOYSA-N
Hvpx_____100_64_1 =  1.3E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____100_64_1 =  3.9E-02                                  ! [atm] type: Q, ref: 3586

! species:  $p$-diaminoanisole
! formula:  C_7H_{10}N_2O
! trivial:  2-methoxy-1,4-benzenediamine
! casrn:    5307-02-8
! inchikey: HGUYBLVGLMAUFF-UHFFFAOYSA-N
Hvpx____5307_02_8 =  2.2E-06                                  ! [atm] type: Q, ref: 3088

! species:  4-methoxy-1,3-benzenediamine
! formula:  C_7H_{10}N_2O
! trivial:  
! casrn:    615-05-4
! inchikey: BAHPQISAXRFLCL-UHFFFAOYSA-N
Hvpx_____615_05_4 =  4.0E-05                                  ! [atm] type: Q, ref: 3088

! species:  2-cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)acetamide
! formula:  C_7H_{10}N_4O_3
! trivial:  cymoxanil
! casrn:    57966-95-7
! inchikey: XERJKGMBORTKEO-UHFFFAOYSA-N
Hvpx___57966_95_7 =  1.8E-05                                  ! [atm] type: V, ref: 3586
Hvpx___57966_95_7 =  1.8E-05                                  ! [atm] type: V, ref: 3088
Hvpx___57966_95_7 =  8.9E-04                                  ! [atm] type: X, ref: barcelo97
Hvpx___57966_95_7 =  5.5E-10                                  ! [atm] type: Q, ref: 3586
Hvpx___57966_95_7 =  1.7E-02                                  ! [atm] type: Q, ref: 3729
Hvpx___57966_95_7 =  2.1E-05                                  ! [atm] type: ?, ref: 3549
Hvpx___57966_95_7 =  1.8E-05                                  ! [atm] type: ?, ref: 3549

! species:  isocyanatocyclohexane
! formula:  C_7H_{11}NO
! trivial:  
! casrn:    3173-53-3
! inchikey: KQWGXHWJMSMDJJ-UHFFFAOYSA-N
Hvpx____3173_53_3 =  9.4E+01                                  ! [atm] type: Q, ref: 3088

! species:  $L$-theanine
! formula:  C_7H_{14}N_2O_3
! trivial:  
! casrn:    3081-61-6
! inchikey: DATAGRPVKZEWHA-YFKPBYRVSA-N
Hvpx____3081_61_6 =  4.9E-11                                  ! [atm] type: Q, ref: 3088

! species:  tetryl
! formula:  C_7H_5N_5O_8
! trivial:  
! casrn:    479-45-8
! inchikey: AGUIVNYEYSCPNI-UHFFFAOYSA-N
Hvpx_____479_45_8 =  1.5E-04                                  ! [atm] type: Q, ref: 3088

! species:  anthranilic acid
! formula:  C_7H_7NO_2
! trivial:  
! casrn:    118-92-3
! inchikey: RWZYAGGXGHYGMB-UHFFFAOYSA-N
Hvpx_____118_92_3 =  2.1E-06                                  ! [atm] type: Q, ref: 3088

! species:  3-aminobenzoic acid
! formula:  C_7H_7NO_2
! trivial:  
! casrn:    99-05-8
! inchikey: XFDUHJPVQKIXHO-UHFFFAOYSA-N
Hvpx______99_05_8 =  1.5E-07                                  ! [atm] type: ?, ref: 3766

! species:  4-aminobenzoic acid
! formula:  C_7H_7NO_2
! trivial:  
! casrn:    150-13-0
! inchikey: ALYNCZNDIQEVRV-UHFFFAOYSA-N
Hvpx_____150_13_0 =  8.3E-06                                  ! [atm] type: V, ref: 3088

! species:  salicylamide
! formula:  C_7H_7NO_2
! trivial:  
! casrn:    65-45-2
! inchikey: SKZKKFZAGNVIMN-UHFFFAOYSA-N
Hvpx______65_45_2 =  2.7E-05                                  ! [atm] type: Q, ref: 3627
Hvpx______65_45_2 =  1.6E-05                                  ! [atm] type: Q, ref: 3088

! species:  mesalamine
! formula:  C_7H_7NO_3
! trivial:  
! casrn:    89-57-6
! inchikey: KBOPZPXVLCULAV-UHFFFAOYSA-N
Hvpx______89_57_6 =  2.8E-07                                  ! [atm] type: Q, ref: 3088

! species:  N-phenylformamide
! formula:  C_7H_7NO
! trivial:  
! casrn:    103-70-8
! inchikey: DYDNPESBYVVLBO-UHFFFAOYSA-N
Hvpx_____103_70_8 =  4.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  benzamide
! formula:  C_7H_7NO
! trivial:  
! casrn:    55-21-0
! inchikey: KXDAEFPNCMNJSK-UHFFFAOYSA-N
Hvpx______55_21_0 =  2.5E-05                                  ! [atm] type: V, ref: 636
Hvpx______55_21_0 =  1.2E-05                                  ! [atm] type: R, ref: 1501
Hvpx______55_21_0 =  1.0E-04                                  ! [atm] type: Q, ref: 3730
Hvpx______55_21_0 =  6.0E-04                                  ! [atm] type: Q, ref: 3586
Hvpx______55_21_0 =  1.5E-04                                  ! [atm] type: Q, ref: 2521
Hvpx______55_21_0 =  2.0E-05                                  ! [atm] type: Q, ref: 2530
Hvpx______55_21_0 =  6.6E-05                                  ! [atm] type: Q, ref: 984
Hvpx______55_21_0 =  1.4E-05                                  ! [atm] type: ?, ref: 3586
Hvpx______55_21_0 =  1.4E-05                                  ! [atm] type: ?, ref: 3088

! species:  anthranilamide
! formula:  C_7H_8N_2O
! trivial:  2-aminobenzamide
! casrn:    88-68-6
! inchikey: PXBFMLJZNCDSMP-UHFFFAOYSA-N
Hvpx______88_68_6 =  4.3E-08                                  ! [atm] type: Q, ref: 3088

! species:  N-methyl-N-nitrosobenzenamine
! formula:  C_7H_8N_2O
! trivial:  
! casrn:    614-00-6
! inchikey: MAXCWSIJKVASQC-UHFFFAOYSA-N
Hvpx_____614_00_6 =  2.7E-01                                  ! [atm] type: Q, ref: 3088

! species:  2-methoxy-benzenamine
! formula:  C_7H_9NO
! trivial:  2-methoxyaniline
! casrn:    90-04-0
! inchikey: VMPITZXILSNTON-UHFFFAOYSA-N
Hvpx______90_04_0 =  5.1E-02                                  ! [atm] type: V, ref: 3586
Hvpx______90_04_0 =  4.4E-02                                  ! [atm] type: R, ref: 1501
Hvpx______90_04_0 =  8.1E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______90_04_0 =  5.1E-02                                  ! [atm] type: Q, ref: 3088
Hvpx______90_04_0 =  2.0E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______90_04_0 =  9.7E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______90_04_0 =  3.6E-02                                  ! [atm] type: Q, ref: 984

! species:  3-methoxy-benzenamine
! formula:  C_7H_9NO
! trivial:  3-methoxyaniline
! casrn:    536-90-3
! inchikey: NCBZRJODKRCREW-UHFFFAOYSA-N
Hvpx_____536_90_3 =  6.0E-03                                  ! [atm] type: R, ref: 1501
Hvpx_____536_90_3 =  6.1E-03                                  ! [atm] type: Q, ref: 3088
Hvpx_____536_90_3 =  3.1E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____536_90_3 =  1.9E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____536_90_3 =  8.5E-03                                  ! [atm] type: Q, ref: 2543
Hvpx_____536_90_3 =  3.6E-02                                  ! [atm] type: Q, ref: 984

! species:  4-methoxy-benzenamine
! formula:  C_7H_9NO
! trivial:  4-methoxyaniline
! casrn:    104-94-9
! inchikey: BHAAPTBBJKJZER-UHFFFAOYSA-N
Hvpx_____104_94_9 =  3.7E-03                                  ! [atm] type: M, ref: 1195
Hvpx_____104_94_9 =  4.4E-03                                  ! [atm] type: R, ref: 1501
Hvpx_____104_94_9 =  3.0E-03                                  ! [atm] type: Q, ref: 3730
Hvpx_____104_94_9 =  9.4E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____104_94_9 =  4.0E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____104_94_9 =  1.9E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____104_94_9 =  5.5E-03                                  ! [atm] type: Q, ref: 2543
Hvpx_____104_94_9 =  3.6E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____104_94_9 =  3.7E-03                                  ! [atm] type: ?, ref: 3586

! species:  4-(methylamino)phenol
! formula:  C_7H_9NO
! trivial:  N-methyl-4-aminophenol
! casrn:    150-75-4
! inchikey: ZFIQGRISGKSVAG-UHFFFAOYSA-N
Hvpx_____150_75_4 =  2.4E-05                                  ! [atm] type: Q, ref: 3088

! species:  3-(diethylamino)-1,2-propanediol
! formula:  C_7H_{17}NO_2
! trivial:  
! casrn:    621-56-7
! inchikey: LTACQVCHVAUOKN-UHFFFAOYSA-N
Hvpx_____621_56_7 =  1.0E-03                                  ! [atm] type: M, ref: 3426
Hvpx_____621_56_7 =  7.8E-04                                  ! [atm] type: Q, ref: 3426
Hvpx_____621_56_7 =  2.1E-03                                  ! [atm] type: Q, ref: 3426

! species:  1-(2-hydroxyethyl)piperidine
! formula:  C_7H_{15}NO
! trivial:  2-piperidinoethanol
! casrn:    3040-44-6
! inchikey: KZTWONRVIPPDKH-UHFFFAOYSA-N
Hvpx____3040_44_6 =  1.1E-02                                  ! [atm] type: M, ref: 3426
Hvpx____3040_44_6 =  9.0E-01                                  ! [atm] type: Q, ref: 3426
Hvpx____3040_44_6 =  1.1E-02                                  ! [atm] type: Q, ref: 3426

! species:  2-piperidineethanol
! formula:  C_7H_{15}NO
! trivial:  
! casrn:    1484-84-0
! inchikey: PTHDBHDZSMGHKF-UHFFFAOYSA-N
Hvpx____1484_84_0 =  1.4E-03                                  ! [atm] type: M, ref: 3426
Hvpx____1484_84_0 =  4.6E-03                                  ! [atm] type: Q, ref: 3426
Hvpx____1484_84_0 =  2.4E-03                                  ! [atm] type: Q, ref: 3426

! species:  emylcamate
! formula:  C_7H_{15}NO_2
! trivial:  
! casrn:    78-28-4
! inchikey: SLWGJZPKHAXZQL-UHFFFAOYSA-N
Hvpx______78_28_4 =  1.8E+00                                  ! [atm] type: V, ref: 3586
Hvpx______78_28_4 =  6.3E-02                                  ! [atm] type: Q, ref: 3586

! species:  defenuron
! formula:  C_8H_{10}N_2O
! trivial:  
! casrn:    1007-36-9
! inchikey: SQBHGDSDVWCPHN-UHFFFAOYSA-N
Hvpx____1007_36_9 =  6.4E-07                                  ! [atm] type: ?, ref: 3087

! species:  N-methyl-N-nitrosobenzenemethanamine
! formula:  C_8H_{10}N_2O
! trivial:  
! casrn:    937-40-6
! inchikey: NGXUJKBJBFLCAR-UHFFFAOYSA-N
Hvpx_____937_40_6 =  6.9E-01                                  ! [atm] type: M, ref: 3082
Hvpx_____937_40_6 =  4.7E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____937_40_6 =  1.4E-02                                  ! [atm] type: Q, ref: 2530

! species:  norepinephrine
! formula:  C_8H_{11}NO_3
! trivial:  
! casrn:    51-41-2
! inchikey: SFLSHLFXELFNJZ-QMMMGPOBSA-N
Hvpx______51_41_2 =  1.8E-14                                  ! [atm] type: Q, ref: 3088

! species:  2,4-dimethoxyaniline
! formula:  C_8H_{11}NO_2
! trivial:  
! casrn:    2735-04-8
! inchikey: GEQNZVKIDIPGCO-UHFFFAOYSA-N
Hvpx____2735_04_8 =  3.4E-02                                  ! [atm] type: ?, ref: 3766

! species:  4-methoxy-2-methylbenzenamine
! formula:  C_8H_{11}NO
! trivial:  $m$-cresidine
! casrn:    102-50-1
! inchikey: CDGNLUSBENXDGG-UHFFFAOYSA-N
Hvpx_____102_50_1 =  6.6E-03                                  ! [atm] type: Q, ref: 3088

! species:  $p$-cresidine
! formula:  C_8H_{11}NO
! trivial:  
! casrn:    120-71-8
! inchikey: WXWCDTXEKCVRRO-UHFFFAOYSA-N
Hvpx_____120_71_8 =  6.9E-03                                  ! [atm] type: Q, ref: 3088

! species:  N-nitrosodi-N-butylamine
! formula:  C_8H_{18}N_2O
! trivial:  
! casrn:    924-16-3
! inchikey: YGJHZCLPZAZIHH-UHFFFAOYSA-N
Hvpx_____924_16_3 =  7.6E-01                                  ! [atm] type: M, ref: 3082
Hvpx_____924_16_3 =  7.3E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____924_16_3 =  4.9E-01                                  ! [atm] type: Q, ref: 2530

! species:  (diisopropylamino)-ethanol
! formula:  C_8H_{19}NO
! trivial:  
! casrn:    96-80-0
! inchikey: ZYWUVGFIXPNBDL-UHFFFAOYSA-N
Hvpx______96_80_0 =  2.4E-01                                  ! [atm] type: M, ref: 3426
Hvpx______96_80_0 =  2.4E-01                                  ! [atm] type: Q, ref: 3426
Hvpx______96_80_0 =  2.3E-01                                  ! [atm] type: Q, ref: 3426
Hvpx______96_80_0 =  2.9E-03                                  ! [atm] type: Q, ref: 2521
Hvpx______96_80_0 =  6.6E-03                                  ! [atm] type: Q, ref: 2530

! species:  phthalamide
! formula:  C_8H_8N_2O_2
! trivial:  
! casrn:    88-96-0
! inchikey: NAYYNDKKHOIIOD-UHFFFAOYSA-N
Hvpx______88_96_0 =  7.7E-08                                  ! [atm] type: Q, ref: 3088

! species:  acetaminophen
! formula:  C_8H_9NO_2
! trivial:  
! casrn:    103-90-2
! inchikey: RZVAJINKPMORJF-UHFFFAOYSA-N
Hvpx_____103_90_2 =  3.5E-08                                  ! [atm] type: Q, ref: 3088

! species:  methyl anthranilate
! formula:  C_8H_9NO_2
! trivial:  
! casrn:    134-20-3
! inchikey: VAMXMNNIEUEQDV-UHFFFAOYSA-N
Hvpx_____134_20_3 =  1.0E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____134_20_3 =  1.1E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____134_20_3 =  1.5E-01                                  ! [atm] type: Q, ref: 3682
Hvpx_____134_20_3 =  2.1E-03                                  ! [atm] type: Q, ref: 3586

! species:  4'-aminoacetophenone
! formula:  C_8H_9NO
! trivial:  4-acetylaniline
! casrn:    99-92-3
! inchikey: GPRYKVSEZCQIHD-UHFFFAOYSA-N
Hvpx______99_92_3 =  2.4E-04                                  ! [atm] type: Q, ref: 3088

! species:  N-phenylacetamide
! formula:  C_8H_9NO
! trivial:  acetanilide
! casrn:    103-84-4
! inchikey: FZERHIULMFGESH-UHFFFAOYSA-N
Hvpx_____103_84_4 =  1.2E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____103_84_4 =  3.7E-04                                  ! [atm] type: Q, ref: 3682
Hvpx_____103_84_4 =  3.4E-04                                  ! [atm] type: Q, ref: 3088

! species:  tropine
! formula:  C_8H_{15}NO
! trivial:  
! casrn:    120-29-6
! inchikey: CYHOMWAPJJPNMW-UHFFFAOYSA-N
Hvpx_____120_29_6 =  4.2E-04                                  ! [atm] type: M, ref: 3426
Hvpx_____120_29_6 =  2.1E-04                                  ! [atm] type: Q, ref: 3426
Hvpx_____120_29_6 =  9.8E-04                                  ! [atm] type: Q, ref: 3426

! species:  bis[2-(N,N-dimethylamino)ethyl] ether
! formula:  C_8H_{20}N_2O
! trivial:  
! casrn:    3033-62-3
! inchikey: GTEXIOINCJRBIO-UHFFFAOYSA-N
Hvpx____3033_62_3 =  6.9E-03                                  ! [atm] type: M, ref: 3426
Hvpx____3033_62_3 =  2.3E-03                                  ! [atm] type: Q, ref: 3426
Hvpx____3033_62_3 =  6.9E-03                                  ! [atm] type: Q, ref: 3426

! species:  methylcarbamic acid, 3-methylphenyl ester
! formula:  C_9H_{11}NO_2
! trivial:  metolcarb
! casrn:    1129-41-5
! inchikey: VOEYXMAFNDNNED-UHFFFAOYSA-N
Hvpx____1129_41_5 =  4.6E-05                                  ! [atm] type: V, ref: 3088

! species:  phenylcarbamic acid, ethyl ester
! formula:  C_9H_{11}NO_2
! trivial:  
! casrn:    101-99-5
! inchikey: LBKPGNUOUPTQKA-UHFFFAOYSA-N
Hvpx_____101_99_5 =  1.6E-03                                  ! [atm] type: Q, ref: 3088

! species:  ethyl anthranilate
! formula:  C_9H_{11}NO_2
! trivial:  
! casrn:    87-25-2
! inchikey: TWLLPUMZVVGILS-UHFFFAOYSA-N
Hvpx______87_25_2 =  8.9E-04                                  ! [atm] type: Q, ref: 3088

! species:  benzocaine
! formula:  C_9H_{11}NO_2
! trivial:  
! casrn:    94-09-7
! inchikey: BLFLLBZGZJTVJG-UHFFFAOYSA-N
Hvpx______94_09_7 =  8.9E-04                                  ! [atm] type: Q, ref: 3088

! species:  1-(4-aminophenyl)-1-propanone
! formula:  C_9H_{11}NO
! trivial:  4-aminopropiophenone
! casrn:    70-69-9
! inchikey: FSWXOANXOQPCFF-UHFFFAOYSA-N
Hvpx______70_69_9 =  2.5E-04                                  ! [atm] type: Q, ref: 3088

! species:  (4-ethoxyphenyl)urea
! formula:  C_9H_{12}N_2O_2
! trivial:  dulcin
! casrn:    150-69-6
! inchikey: GGLIEWRLXDLBBF-UHFFFAOYSA-N
Hvpx_____150_69_6 =  8.7E-07                                  ! [atm] type: Q, ref: 3088

! species:  fenuron
! formula:  C_9H_{12}N_2O
! trivial:  
! casrn:    101-42-8
! inchikey: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
Hvpx_____101_42_8 =  1.1E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____101_42_8 =  6.3E-04                                  ! [atm] type: V, ref: 2614
Hvpx_____101_42_8 =  1.5E-04                                  ! [atm] type: V, ref: 1157
Hvpx_____101_42_8 =  1.5E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx_____101_42_8 =  5.7E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____101_42_8 =  5.4E-05                                  ! [atm] type: Q, ref: 3088
Hvpx_____101_42_8 =  1.2E-01                                  ! [atm] type: Q, ref: 3729

! species:  epinephrine
! formula:  C_9H_{13}NO_3
! trivial:  
! casrn:    51-43-4
! inchikey: UCTWMZQNUQWSLP-UHFFFAOYSA-N
Hvpx______51_43_4 =  3.9E-14                                  ! [atm] type: Q, ref: 3088

! species:  meprobamate
! formula:  C_9H_{18}N_2O_4
! trivial:  
! casrn:    57-53-4
! inchikey: NPPQSCRMBWNHMW-UHFFFAOYSA-N
Hvpx______57_53_4 =  1.0E-05                                  ! [atm] type: Q, ref: 3088

! species:  propamocarb
! formula:  C_9H_{20}N_2O_2
! trivial:  
! casrn:    24579-73-5
! inchikey: WZZLDXDUQPOXNW-UHFFFAOYSA-N
Hvpx___24579_73_5 =  2.6E-04                                  ! [atm] type: Q, ref: 3730
Hvpx___24579_73_5 =  3.5E-04                                  ! [atm] type: Q, ref: 3586
Hvpx___24579_73_5 =  3.5E-04                                  ! [atm] type: Q, ref: 2521
Hvpx___24579_73_5 =  1.7E-03                                  ! [atm] type: Q, ref: 2530
Hvpx___24579_73_5 =  8.2E-05                                  ! [atm] type: ?, ref: 3586
Hvpx___24579_73_5 =  4.6E-09                                  ! [atm] type: ?, ref: 3549

! species:  proximpham
! formula:  C_{10}H_{12}N_2O_2
! trivial:  
! casrn:    2828-42-4
! inchikey: LATYTXGNKNKTDS-UHFFFAOYSA-N
Hvpx____2828_42_4 =  1.4E-04                                  ! [atm] type: ?, ref: 3087

! species:  dioxacarb
! formula:  C_{10}H_{13}NO_4
! trivial:  
! casrn:    6988-21-2
! inchikey: SDKQRNRRDYRQKY-UHFFFAOYSA-N
Hvpx____6988_21_2 =  8.1E-07                                  ! [atm] type: V, ref: 3586
Hvpx____6988_21_2 =  2.5E-05                                  ! [atm] type: Q, ref: 3586
Hvpx____6988_21_2 =  8.1E-07                                  ! [atm] type: ?, ref: 3087

! species:  phenol, 3,5-dimethyl-, methylcarbamate
! formula:  C_{10}H_{13}NO_2
! trivial:  3,5-xylyl methylcarbamate
! casrn:    2655-14-3
! inchikey: CVQODEWAPZVVBU-UHFFFAOYSA-N
Hvpx____2655_14_3 =  1.0E-02                                  ! [atm] type: V, ref: 3586
Hvpx____2655_14_3 =  6.0E-02                                  ! [atm] type: Q, ref: 3586
Hvpx____2655_14_3 =  2.2E-03                                  ! [atm] type: Q, ref: 3088
Hvpx____2655_14_3 =  1.3E-03                                  ! [atm] type: ?, ref: 3087

! species:  phenylcarbamic acid, 1-methylethyl ester
! formula:  C_{10}H_{13}NO_2
! trivial:  
! casrn:    122-42-9
! inchikey: VXPLXMJHHKHSOA-UHFFFAOYSA-N
Hvpx_____122_42_9 =  1.0E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____122_42_9 =  1.0E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____122_42_9 =  1.7E+01                                  ! [atm] type: Q, ref: 3586

! species:  xylylcarb
! formula:  C_{10}H_{13}NO_2
! trivial:  
! casrn:    2425-10-7
! inchikey: WCJYTPVNMWIZCG-UHFFFAOYSA-N
Hvpx____2425_10_7 =  6.0E-03                                  ! [atm] type: M, ref: 2538
Hvpx____2425_10_7 =  5.8E-03                                  ! [atm] type: V, ref: 3586
Hvpx____2425_10_7 =  6.0E-02                                  ! [atm] type: Q, ref: 3586

! species:  phenacetin
! formula:  C_{10}H_{13}NO_2
! trivial:  
! casrn:    62-44-2
! inchikey: CPJSUEIXXCENMM-UHFFFAOYSA-N
Hvpx______62_44_2 =  1.2E-05                                  ! [atm] type: V, ref: 3586
Hvpx______62_44_2 =  1.2E-05                                  ! [atm] type: V, ref: 3088
Hvpx______62_44_2 =  2.1E-01                                  ! [atm] type: Q, ref: 3586

! species:  ephedrine
! formula:  C_{10}H_{15}NO
! trivial:  
! casrn:    299-42-3
! inchikey: KWGRBVOPPLSCSI-PSASIEDQSA-N
Hvpx_____299_42_3 =  4.8E-06                                  ! [atm] type: Q, ref: 3088

! species:  $m$-cumenyl methylcarbamate
! formula:  C_{11}H_{15}NO_2
! trivial:  3-isopropylphenyl methyl carbamate
! casrn:    64-00-6
! inchikey: GYKXQTKSWLAUIT-UHFFFAOYSA-N
Hvpx______64_00_6 =  3.5E-03                                  ! [atm] type: Q, ref: 3088

! species:  propoxur
! formula:  C_{11}H_{15}NO_3
! trivial:  
! casrn:    114-26-1
! inchikey: ISRUGXGCCGIOQO-UHFFFAOYSA-N
Hvpx_____114_26_1 =  1.9E-04                                  ! [atm] type: V, ref: 3088
Hvpx_____114_26_1 =  1.1E-06                                  ! [atm] type: V, ref: 2614
Hvpx_____114_26_1 =  7.6E-05                                  ! [atm] type: V, ref: 2967
Hvpx_____114_26_1 =  7.1E-02                                  ! [atm] type: V, ref: 1157
Hvpx_____114_26_1 =  7.2E+00                                  ! [atm] type: X, ref: barcelo97
Hvpx_____114_26_1 =  3.9E-01                                  ! [atm] type: Q, ref: 3729

! species:  methocarbamol
! formula:  C_{11}H_{15}NO_5
! trivial:  
! casrn:    532-03-6
! inchikey: GNXFOGHNGIVQEH-UHFFFAOYSA-N
Hvpx_____532_03_6 =  3.6E-11                                  ! [atm] type: Q, ref: 3088

! species:  aminocarb
! formula:  C_{11}H_{16}N_2O_2
! trivial:  
! casrn:    2032-59-9
! inchikey: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
Hvpx____2032_59_9 =  2.8E-04                                  ! [atm] type: V, ref: 2614
Hvpx____2032_59_9 =  3.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  monodesmethylisoproturon
! formula:  C_{11}H_{16}N_2O
! trivial:  
! casrn:    34123-57-4
! inchikey: DOULWWSSZVEPIN-UHFFFAOYSA-N
Hvpx___34123_57_4 =  1.9E-06                                  ! [atm] type: V, ref: 2836

! species:  cycluron
! formula:  C_{11}H_{22}N_2O
! trivial:  
! casrn:    2163-69-1
! inchikey: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
Hvpx____2163_69_1 =  6.6E-04                                  ! [atm] type: Q, ref: 3088

! species:  methylneodecanamide
! formula:  C_{11}H_{23}NO
! trivial:  
! casrn:    105726-67-8
! inchikey: GELCOLZWXWHMIB-UHFFFAOYSA-N
Hvpx__105726_67_8 =  1.3E-02                                  ! [atm] type: Q, ref: 3088

! species:  isoprocarb
! formula:  C_{11}H_{15}NO_2
! trivial:  
! casrn:    2631-40-5
! inchikey: QBSJMKIUCUGGNG-UHFFFAOYSA-N
Hvpx____2631_40_5 =  7.4E-04                                  ! [atm] type: V, ref: 3586
Hvpx____2631_40_5 =  7.2E-02                                  ! [atm] type: Q, ref: 3586

! species:  4-(phenylazo)phenol
! formula:  C_{12}H_{10}N_2O
! trivial:  4-hydroxyazobenzene
! casrn:    1689-82-3
! inchikey: BEYOBVMPDRKTNR-UHFFFAOYSA-N
Hvpx____1689_82_3 =  3.7E-05                                  ! [atm] type: V, ref: 3586
Hvpx____1689_82_3 =  3.7E-05                                  ! [atm] type: V, ref: 3088
Hvpx____1689_82_3 =  5.2E-05                                  ! [atm] type: Q, ref: 3586

! species:  1-naphthaleneacetamide
! formula:  C_{12}H_{11}NO
! trivial:  
! casrn:    86-86-2
! inchikey: XFNJVKMNNVCYEK-UHFFFAOYSA-N
Hvpx______86_86_2 =  5.6E-09                                  ! [atm] type: ?, ref: 3549

! species:  carbetamide
! formula:  C_{12}H_{16}N_2O_3
! trivial:  
! casrn:    16118-49-3
! inchikey: AMRQXHFXNZFDCH-UHFFFAOYSA-N
Hvpx___16118_49_3 =  4.9E-01                                  ! [atm] type: X, ref: barcelo97
Hvpx___16118_49_3 =  1.5E-01                                  ! [atm] type: Q, ref: 3729
Hvpx___16118_49_3 =  1.1E-08                                  ! [atm] type: ?, ref: 3549

! species:  N-nitrosodiphenylamine
! formula:  C_{12}H_{10}N_2O
! trivial:  N,N-Diphenylnitrosamine
! casrn:    86-30-6
! inchikey: UBUCNCOMADRQHX-UHFFFAOYSA-N
Hvpx______86_30_6 =  6.3E+01                                  ! [atm] type: V, ref: 2614
Hvpx______86_30_6 =  6.3E+01                                  ! [atm] type: V, ref: 636
Hvpx______86_30_6 =  3.7E+01                                  ! [atm] type: C, ref: 636
Hvpx______86_30_6 =  6.7E-02                                  ! [atm] type: Q, ref: 3088

! species:  carbaryl
! formula:  C_{12}H_{11}NO_2
! trivial:  
! casrn:    63-25-2
! inchikey: CVXBEEMKQHEXEN-UHFFFAOYSA-N
Hvpx______63_25_2 =  5.5E-03                                  ! [atm] type: M, ref: 2972
Hvpx______63_25_2 =  1.5E-04                                  ! [atm] type: M, ref: 2538
Hvpx______63_25_2 =  1.8E-04                                  ! [atm] type: V, ref: 3586
Hvpx______63_25_2 =  2.4E-05                                  ! [atm] type: V, ref: 2614
Hvpx______63_25_2 =  2.4E-04                                  ! [atm] type: V, ref: 1145
Hvpx______63_25_2 =  7.1E-04                                  ! [atm] type: V, ref: 1157
Hvpx______63_25_2 =  7.2E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx______63_25_2 =  2.4E-04                                  ! [atm] type: X, ref: howard97
Hvpx______63_25_2 =  1.5E-04                                  ! [atm] type: C, ref: 3073
Hvpx______63_25_2 =  4.4E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______63_25_2 =  6.7E-02                                  ! [atm] type: Q, ref: 3729
Hvpx______63_25_2 =  4.0E-04                                  ! [atm] type: Q, ref: 2521
Hvpx______63_25_2 =  1.7E-04                                  ! [atm] type: Q, ref: 1145

! species:  4,4'-oxybisbenzenamine
! formula:  C_{12}H_{12}N_2O
! trivial:  bis(4-aminophenyl) ether
! casrn:    101-80-4
! inchikey: HLBLWEWZXPIGSM-UHFFFAOYSA-N
Hvpx_____101_80_4 =  8.3E-07                                  ! [atm] type: Q, ref: 3088

! species:  carbofuran
! formula:  C_{12}H_{15}NO_3
! trivial:  
! casrn:    1563-66-2
! inchikey: DUEPRVBVGDRKAG-UHFFFAOYSA-N
Hvpx____1563_66_2 =  2.3E-02                                  ! [atm] type: M, ref: 3404
Hvpx____1563_66_2 =  5.5E-03                                  ! [atm] type: M, ref: 2972
Hvpx____1563_66_2 =  2.5E-05                                  ! [atm] type: V, ref: 3088
Hvpx____1563_66_2 =  2.8E-05                                  ! [atm] type: V, ref: 2614
Hvpx____1563_66_2 =  2.8E-04                                  ! [atm] type: V, ref: 1157
Hvpx____1563_66_2 =  2.8E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx____1563_66_2 =  1.2E-02                                  ! [atm] type: Q, ref: 3729

! species:  phenol, 3-methyl-5-(1-methylethyl)-, methylcarbamate
! formula:  C_{12}H_{16}NO_2
! trivial:  promecarb
! casrn:    2631-37-0
! inchikey: DTAPQAJKAFRNJB-UHFFFAOYSA-N
Hvpx____2631_37_0 =  4.9E-03                                  ! [atm] type: V, ref: 3586
Hvpx____2631_37_0 =  5.0E-03                                  ! [atm] type: V, ref: 3088
Hvpx____2631_37_0 =  1.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx____2631_37_0 =  1.7E-03                                  ! [atm] type: ?, ref: 3087

! species:  fenobucarb
! formula:  C_{12}H_{17}NO_2
! trivial:  
! casrn:    3766-81-2
! inchikey: DIRFUJHNVNOBMY-UHFFFAOYSA-N
Hvpx____3766_81_2 =  3.6E-03                                  ! [atm] type: M, ref: 2538
Hvpx____3766_81_2 =  3.3E-03                                  ! [atm] type: V, ref: 3586
Hvpx____3766_81_2 =  6.7E-02                                  ! [atm] type: Q, ref: 3586

! species:  diethyltoluamide
! formula:  C_{12}H_{17}NO
! trivial:  DEET
! casrn:    134-62-3
! inchikey: MMOXZBCLCQITDF-UHFFFAOYSA-N
Hvpx_____134_62_3 =  1.2E-03                                  ! [atm] type: Q, ref: 3088

! species:  N,N-dimethyl-N'-[4-(1-methylethyl)phenyl]-urea
! formula:  C_{12}H_{18}N_2O
! trivial:  isoproturon
! casrn:    34123-59-6
! inchikey: PUIYMUZLKQOUOZ-UHFFFAOYSA-N
Hvpx___34123_59_6 =  6.2E-06                                  ! [atm] type: V, ref: 3586
Hvpx___34123_59_6 =  6.8E-06                                  ! [atm] type: V, ref: 2614
Hvpx___34123_59_6 =  5.7E-06                                  ! [atm] type: V, ref: 2836
Hvpx___34123_59_6 =  4.9E-06                                  ! [atm] type: V, ref: 2967
Hvpx___34123_59_6 =  2.4E-01                                  ! [atm] type: Q, ref: 3586

! species:  dimorpholinodiethyl ether
! formula:  C_{12}H_{24}N_2O_3
! trivial:  
! casrn:    6425-39-4
! inchikey: ZMSQJSMSLXVTKN-UHFFFAOYSA-N
Hvpx____6425_39_4 =  3.1E-04 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584

! species:  carisoprodol
! formula:  C_{12}H_{24}N_2O_4
! trivial:  
! casrn:    78-44-4
! inchikey: OFZCIYFFPZCNJE-UHFFFAOYSA-N
Hvpx______78_44_4 =  4.0E-05                                  ! [atm] type: Q, ref: 3088

! species:  4-hydroxy-4'-nitroazobenzene
! formula:  C_{12}H_9N_3O_3
! trivial:  
! casrn:    1435-60-5
! inchikey: NRJPVIOTANUINF-YPKPFQOOSA-N
Hvpx____1435_60_5 =  1.4E-06                                  ! [atm] type: V, ref: 3586
Hvpx____1435_60_5 =  3.8E-07                                  ! [atm] type: Q, ref: 3586

! species:  2,4-dinitro-N-phenyl-benzenamine
! formula:  C_{12}H_9N_3O_4
! trivial:  
! casrn:    961-68-2
! inchikey: RHTVQEPJVKUMPI-UHFFFAOYSA-N
Hvpx_____961_68_2 =  4.3E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____961_68_2 =  8.3E-07                                  ! [atm] type: Q, ref: 3586

! species:  N-(2,4-dinitrophenyl)-N-(4-hydroxyphenyl)amine
! formula:  C_{12}H_9N_3O_5
! trivial:  
! casrn:    119-15-3
! inchikey: BCPQALWAROJVLE-UHFFFAOYSA-N
Hvpx_____119_15_3 =  8.1E-08                                  ! [atm] type: V, ref: 3586
Hvpx_____119_15_3 =  4.0E-10                                  ! [atm] type: Q, ref: 3586

! species:  disperse orange 3
! formula:  C_{12}H_{10}N_4O_2
! trivial:  
! casrn:    730-40-5
! inchikey: UNBOSJFEZZJZLR-UHFFFAOYSA-N
Hvpx_____730_40_5 =  1.6E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____730_40_5 =  2.8E-06                                  ! [atm] type: Q, ref: 3586

! species:  diethylpropion
! formula:  C_{13}H_{19}NO
! trivial:  
! casrn:    90-84-6
! inchikey: XXEPPPIWZFICOJ-UHFFFAOYSA-N
Hvpx______90_84_6 =  1.3E-02                                  ! [atm] type: Q, ref: 3088

! species:  salbutamol
! formula:  C_{13}H_{21}NO_3
! trivial:  albuterol
! casrn:    18559-94-9
! inchikey: NDAUXUAQIAJITI-UHFFFAOYSA-N
Hvpx___18559_94_9 =  3.5E-11                                  ! [atm] type: Q, ref: 3088

! species:  disperse blue 1
! formula:  C_{14}H_{12}N_4O_2
! trivial:  
! casrn:    2475-45-8
! inchikey: JSFUMBWFPQSADC-UHFFFAOYSA-N
Hvpx____2475_45_8 =  1.2E-02                                  ! [atm] type: V, ref: 3088

! species:  3,3'-dimethoxybenzidine
! formula:  C_{14}H_{16}N_2O_2
! trivial:  
! casrn:    119-90-4
! inchikey: JRBJSXQPQWSCCF-UHFFFAOYSA-N
Hvpx_____119_90_4 =  2.6E-06                                  ! [atm] type: Q, ref: 3088

! species:  aspartame
! formula:  C_{14}H_{18}N_2O_5
! trivial:  
! casrn:    22839-47-0
! inchikey: IAOZJIPTCAWIRG-QWRGUYRKSA-N
Hvpx___22839_47_0 =  1.4E-13                                  ! [atm] type: Q, ref: 3088

! species:  dinobuton
! formula:  C_{14}H_{18}N_2O_7
! trivial:  dessin
! casrn:    973-21-7
! inchikey: HDWLUGYOLUHEMN-UHFFFAOYSA-N
Hvpx_____973_21_7 =  8.9E-04                                  ! [atm] type: Q, ref: 3088

! species:  N-(2-methylcyclohexyl)-N'-phenylurea
! formula:  C_{14}H_{20}N_2O
! trivial:  siduron
! casrn:    1982-49-6
! inchikey: JXVIIQLNUPXOII-UHFFFAOYSA-N
Hvpx____1982_49_6 =  3.8E-06                                  ! [atm] type: V, ref: 3088

! species:  butralin
! formula:  C_{14}H_{21}N_3O_4
! trivial:  
! casrn:    33629-47-9
! inchikey: SPNQRCTZKIBOAX-UHFFFAOYSA-N
Hvpx___33629_47_9 =  2.7E-01                                  ! [atm] type: V, ref: 3088
Hvpx___33629_47_9 =  2.7E-01                                  ! [atm] type: V, ref: 2614

! species:  lauramine oxide
! formula:  C_{14}H_{31}NO
! trivial:  
! casrn:    1643-20-5
! inchikey: SYELZBGXAIXKHU-UHFFFAOYSA-N
Hvpx____1643_20_5 =  3.7E-06                                  ! [atm] type: Q, ref: 3088

! species:  2-aminoanthraquinone
! formula:  C_{14}H_9NO_2
! trivial:  
! casrn:    117-79-3
! inchikey: XOGPDSATLSAZEK-UHFFFAOYSA-N
Hvpx_____117_79_3 =  5.1E-06                                  ! [atm] type: V, ref: 3586
Hvpx_____117_79_3 =  5.1E-06                                  ! [atm] type: V, ref: 3088
Hvpx_____117_79_3 =  1.7E-06                                  ! [atm] type: Q, ref: 3586

! species:  1-amino-9,10-anthracenedione
! formula:  C_{14}H_9NO_2
! trivial:  
! casrn:    82-45-1
! inchikey: KHUFHLFHOQVFGB-UHFFFAOYSA-N
Hvpx______82_45_1 =  2.7E-04                                  ! [atm] type: V, ref: 3586
Hvpx______82_45_1 =  5.6E-06                                  ! [atm] type: Q, ref: 3586

! species:  1-amino-4-hydroxy-9,10-anthracenedione
! formula:  C_{14}H_9NO_3
! trivial:  
! casrn:    116-85-8
! inchikey: AQXYVFBSOOBBQV-UHFFFAOYSA-N
Hvpx_____116_85_8 =  1.5E-06                                  ! [atm] type: V, ref: 3586
Hvpx_____116_85_8 =  1.3E-06                                  ! [atm] type: Q, ref: 3586

! species:  1,4-diamino-9,10-anthracenedione
! formula:  C_{14}H_{10}N_2O_2
! trivial:  
! casrn:    128-95-0
! inchikey: FBMQNRKSAWNXBT-UHFFFAOYSA-N
Hvpx_____128_95_0 =  2.7E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____128_95_0 =  4.3E-08                                  ! [atm] type: Q, ref: 3586

! species:  N,N-dimethyl-4-[(4-nitrophenyl)azo]-benzenamine
! formula:  C_{14}H_{14}N_4O_2
! trivial:  
! casrn:    2491-74-9
! inchikey: LSFRFLVWCKLQTO-UHFFFAOYSA-N
Hvpx____2491_74_9 =  3.6E-03                                  ! [atm] type: V, ref: 3586
Hvpx____2491_74_9 =  5.4E-05                                  ! [atm] type: Q, ref: 3586

! species:  karbutilate
! formula:  C_{14}H_{21}N_3O_3
! trivial:  
! casrn:    4849-32-5
! inchikey: OWNAXTAAAQTBSP-UHFFFAOYSA-N
Hvpx____4849_32_5 =  3.1E-09                                  ! [atm] type: ?, ref: 3766

! species:  diethofencarb
! formula:  C_{14}H_{21}NO_4
! trivial:  
! casrn:    87130-20-9
! inchikey: LNJNFVJKDJYTEU-UHFFFAOYSA-N
Hvpx___87130_20_9 =  4.6E-02                                  ! [atm] type: V, ref: 3586
Hvpx___87130_20_9 =  4.2E+00                                  ! [atm] type: Q, ref: 3586

! species:  1-amino-2-methyl-9,10-anthracenedione
! formula:  C_{15}H_{11}NO_2
! trivial:  1-amino-2-methylanthraquinone
! casrn:    82-28-0
! inchikey: ZLCUIOWQYBYEBG-UHFFFAOYSA-N
Hvpx______82_28_0 =  6.6E-08                                  ! [atm] type: Q, ref: 3088

! species:  N-2-fluorenylacetamide
! formula:  C_{15}H_{13}NO
! trivial:  2-acetylaminofluorene
! casrn:    53-96-3
! inchikey: CZIHNRWJTSTCEX-UHFFFAOYSA-N
Hvpx______53_96_3 =  1.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  tebutam
! formula:  C_{15}H_{23}NO
! trivial:  
! casrn:    35256-85-0
! inchikey: RJKCKKDSSSRYCB-UHFFFAOYSA-N
Hvpx___35256_85_0 =  1.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx___35256_85_0 =  3.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___35256_85_0 =  8.2E-03                                  ! [atm] type: ?, ref: 3087

! species:  isopropalin
! formula:  C_{15}H_{23}N_3O_4
! trivial:  
! casrn:    33820-53-0
! inchikey: NEKOXWSIMFDGMA-UHFFFAOYSA-N
Hvpx___33820_53_0 =  2.9E+00                                  ! [atm] type: V, ref: 2614

! species:  dodine
! formula:  C_{15}H_{33}N_3O_2
! trivial:  doguadine
! casrn:    2439-10-3
! inchikey: YIKWKLYQRFRGPM-UHFFFAOYSA-N
Hvpx____2439_10_3 =  5.0E-06                                  ! [atm] type: V, ref: 3586
Hvpx____2439_10_3 =  5.5E-07                                  ! [atm] type: Q, ref: 3586
Hvpx____2439_10_3 =  5.0E-06                                  ! [atm] type: ?, ref: 3549

! species:  metalaxyl
! formula:  C_{15}H_{21}NO_4
! trivial:  
! casrn:    57837-19-1
! inchikey: ZQEIXNIJLIKNTD-UHFFFAOYSA-N
Hvpx___57837_19_1 =  1.7E-04                                  ! [atm] type: V, ref: 3088
Hvpx___57837_19_1 =  1.4E-05                                  ! [atm] type: V, ref: 2614
Hvpx___57837_19_1 =  6.4E-06                                  ! [atm] type: V, ref: 2968

! species:  metalaxyl-m
! formula:  C_{15}H_{21}NO_4
! trivial:  
! casrn:    70630-17-0
! inchikey: ZQEIXNIJLIKNTD-GFCCVEGCSA-N
Hvpx___70630_17_0 =  1.9E-05                                  ! [atm] type: V, ref: 3586
Hvpx___70630_17_0 =  2.5E-03                                  ! [atm] type: Q, ref: 3586
Hvpx___70630_17_0 =  1.9E-05                                  ! [atm] type: ?, ref: 3549

! species:  metoprolol
! formula:  C_{15}H_{25}NO_3
! trivial:  
! casrn:    37350-58-6
! inchikey: IUBSYMUCCVWXPE-UHFFFAOYSA-N
Hvpx___37350_58_6 =  1.2E-06                                  ! [atm] type: Q, ref: 3088

! species:  1-(methylamino)anthraquinone
! formula:  C_{15}H_{11}NO_2
! trivial:  
! casrn:    82-38-2
! inchikey: SVTDYSXXLJYUTM-UHFFFAOYSA-N
Hvpx______82_38_2 =  1.6E-03                                  ! [atm] type: V, ref: 3586
Hvpx______82_38_2 =  7.6E-06                                  ! [atm] type: Q, ref: 3586

! species:  4'-[(2-hydroxy-5-methylphenyl)azo]acetanilide
! formula:  C_{15}H_{15}N_3O_2
! trivial:  
! casrn:    2832-40-8
! inchikey: PXOZAFXVEWKXED-UHFFFAOYSA-N
Hvpx____2832_40_8 =  8.3E-07                                  ! [atm] type: V, ref: 3586
Hvpx____2832_40_8 =  1.7E-06                                  ! [atm] type: Q, ref: 3586

! species:  desmedipham
! formula:  C_{16}H_{16}N_2O_4
! trivial:  
! casrn:    13684-56-5
! inchikey: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
Hvpx___13684_56_5 =  2.4E-07                                  ! [atm] type: ?, ref: 3766

! species:  phenmedipham
! formula:  C_{16}H_{16}N_2O_4
! trivial:  betanal
! casrn:    13684-63-4
! inchikey: IDOWTHOLJBTAFI-UHFFFAOYSA-N
Hvpx___13684_63_4 =  4.7E-08                                  ! [atm] type: V, ref: 3586
Hvpx___13684_63_4 =  4.7E-08                                  ! [atm] type: V, ref: 3088
Hvpx___13684_63_4 =  4.4E-06                                  ! [atm] type: X, ref: barcelo97
Hvpx___13684_63_4 =  1.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___13684_63_4 =  1.0E-03                                  ! [atm] type: Q, ref: 3729
Hvpx___13684_63_4 =  2.7E-08                                  ! [atm] type: ?, ref: 3549

! species:  fenam
! formula:  C_{16}H_{17}NO
! trivial:  
! casrn:    957-51-7
! inchikey: QAHFOPIILNICLA-UHFFFAOYSA-N
Hvpx_____957_51_7 =  2.0E-06                                  ! [atm] type: V, ref: 3586
Hvpx_____957_51_7 =  1.3E-06                                  ! [atm] type: V, ref: 3088
Hvpx_____957_51_7 =  2.0E-06                                  ! [atm] type: V, ref: 2614
Hvpx_____957_51_7 =  1.1E-02                                  ! [atm] type: Q, ref: 3586

! species:  difenoxuron
! formula:  C_{16}H_{18}N_2O_3
! trivial:  
! casrn:    14214-32-5
! inchikey: AMVYOVYGIJXTQB-UHFFFAOYSA-N
Hvpx___14214_32_5 =  9.7E-09                                  ! [atm] type: ?, ref: 3087

! species:  butacarb
! formula:  C_{16}H_{25}NO_2
! trivial:  
! casrn:    2655-19-8
! inchikey: SLZWBCGZQRRUNG-UHFFFAOYSA-N
Hvpx____2655_19_8 =  2.5E-03                                  ! [atm] type: V, ref: 3088

! species:  oseltamivir
! formula:  C_{16}H_{28}N_2O_4
! trivial:  
! casrn:    196618-13-0
! inchikey: VSZGPKBBMSAYNT-RRFJBIMHSA-N
Hvpx__196618_13_0 =  1.6E-11                                  ! [atm] type: Q, ref: 3088

! species:  N,N-bis(2-hydroxyethyl)dodecanamide
! formula:  C_{16}H_{33}NO_3
! trivial:  
! casrn:    120-40-1
! inchikey: AOMUHOFOVNGZAN-UHFFFAOYSA-N
Hvpx_____120_40_1 =  1.2E-07                                  ! [atm] type: Q, ref: 3088

! species:  1,4-bis(methylamino)-9,10-anthracenedione
! formula:  C_{16}H_{14}N_2O_2
! trivial:  
! casrn:    2475-44-7
! inchikey: QOSTVEDABRQTSU-UHFFFAOYSA-N
Hvpx____2475_44_7 =  1.0E-05                                  ! [atm] type: V, ref: 3586
Hvpx____2475_44_7 =  7.3E-08                                  ! [atm] type: Q, ref: 3586

! species:  metominostrobin
! formula:  C_{16}H_{16}N_2O_3
! trivial:  
! casrn:    133408-50-1
! inchikey: HIIRDDUVRXCDBN-SDXDJHTJSA-N
Hvpx__133408_50_1 =  2.2E-05                                  ! [atm] type: V, ref: 3586
Hvpx__133408_50_1 =  6.3E-08                                  ! [atm] type: Q, ref: 3586

! species:  1-[(2-methoxyphenyl)azo]-2-naphthol
! formula:  C_{17}H_{14}N_2O_2
! trivial:  
! casrn:    1229-55-6
! inchikey: ALLOLPOYFRLCCX-VHEBQXMUSA-N
Hvpx____1229_55_6 =  6.1E-06                                  ! [atm] type: Q, ref: 3088

! species:  furalaxyl
! formula:  C_{17}H_{19}NO_4
! trivial:  
! casrn:    57646-30-7
! inchikey: CIEXPHRYOLIQQD-UHFFFAOYSA-N
Hvpx___57646_30_7 =  5.1E-05                                  ! [atm] type: ?, ref: 3087

! species:  fenoxycarb
! formula:  C_{17}H_{19}NO_4
! trivial:  
! casrn:    72490-01-8
! inchikey: HJUFTIJOISQSKQ-UHFFFAOYSA-N
Hvpx___72490_01_8 =  2.4E-05                                  ! [atm] type: V, ref: 3586
Hvpx___72490_01_8 =  2.2E-05                                  ! [atm] type: V, ref: 3586
Hvpx___72490_01_8 =  2.4E-08                                  ! [atm] type: V, ref: 3088
Hvpx___72490_01_8 =  4.7E-05                                  ! [atm] type: V, ref: 2614
Hvpx___72490_01_8 =  6.5E-04                                  ! [atm] type: Q, ref: 3586
Hvpx___72490_01_8 =  6.5E-04                                  ! [atm] type: Q, ref: 3586
Hvpx___72490_01_8 =  1.8E-05                                  ! [atm] type: ?, ref: 3549

! species:  bifenazate
! formula:  C_{17}H_{20}N_2O_3
! trivial:  
! casrn:    149877-41-8
! inchikey: VHLKTXFWDRXILV-UHFFFAOYSA-N
Hvpx__149877_41_8 =  5.5E-04                                  ! [atm] type: X, ref: macbean2012
Hvpx__149877_41_8 =  5.5E-04                                  ! [atm] type: ?, ref: 3549

! species:  napropamide
! formula:  C_{17}H_{21}NO_2
! trivial:  
! casrn:    15299-99-7
! inchikey: WXZVAROIGSFCFJ-UHFFFAOYSA-N
Hvpx___15299_99_7 =  4.7E-05                                  ! [atm] type: V, ref: 3088
Hvpx___15299_99_7 =  4.4E-05                                  ! [atm] type: ?, ref: 3549

! species:  napropamide-M
! formula:  C_{17}H_{21}NO_2
! trivial:  
! casrn:    41643-35-0
! inchikey: WXZVAROIGSFCFJ-CYBMUJFWSA-N
Hvpx___41643_35_0 =  1.4E-05                                  ! [atm] type: ?, ref: 3766

! species:  padimate O
! formula:  C_{17}H_{27}NO_2
! trivial:  
! casrn:    21245-02-3
! inchikey: WYWZRNAHINYAEF-UHFFFAOYSA-N
Hvpx___21245_02_3 =  2.2E-01                                  ! [atm] type: Q, ref: 3088

! species:  nadolol
! formula:  C_{17}H_{27}NO_4
! trivial:  
! casrn:    42200-33-9
! inchikey: VWPOSFSPZNDTMJ-UHFFFAOYSA-N
Hvpx___42200_33_9 =  7.7E-10                                  ! [atm] type: Q, ref: 3088

! species:  2,6-di-{\it tert}-butyl-4-(dimethylaminomethyl)phenol
! formula:  C_{17}H_{29}NO
! trivial:  
! casrn:    88-27-7
! inchikey: VMZVBRIIHDRYGK-UHFFFAOYSA-N
Hvpx______88_27_7 =  1.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______88_27_7 =  2.2E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______88_27_7 =  4.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______88_27_7 =  1.1E-02                                  ! [atm] type: Q, ref: 2995

! species:  mepronil
! formula:  C_{17}H_{19}NO_2
! trivial:  
! casrn:    55814-41-0
! inchikey: BCTQJXQXJVLSIG-UHFFFAOYSA-N
Hvpx___55814_41_0 =  6.5E-04                                  ! [atm] type: V, ref: 3586
Hvpx___55814_41_0 =  1.2E-01                                  ! [atm] type: Q, ref: 3586

! species:  daimuron
! formula:  C_{17}H_{20}N_2O
! trivial:  
! casrn:    42609-52-9
! inchikey: NNYRZQHKCHEXSD-UHFFFAOYSA-N
Hvpx___42609_52_9 =  5.5E-05                                  ! [atm] type: V, ref: 3586
Hvpx___42609_52_9 =  2.1E-02                                  ! [atm] type: Q, ref: 3586

! species:  naptalam
! formula:  C_{18}H_{13}NO_3
! trivial:  
! casrn:    132-66-1
! inchikey: JXTHEWSKYLZVJC-UHFFFAOYSA-N
Hvpx_____132_66_1 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  citrus red 2
! formula:  C_{18}H_{16}N_2O_3
! trivial:  
! casrn:    6358-53-8
! inchikey: ULLJIFAIUSUJBP-ZZEZOPTASA-N
Hvpx____6358_53_8 =  2.9E-08                                  ! [atm] type: Q, ref: 3088

! species:  kresoxim-methyl
! formula:  C_{18}H_{19}NO_4
! trivial:  
! casrn:    143390-89-0
! inchikey: ZOTBXTZVPHCKPN-UHFFFAOYSA-N
Hvpx__143390_89_0 =  2.0E-04                                  ! [atm] type: V, ref: 3088
Hvpx__143390_89_0 =  2.0E-04                                  ! [atm] type: ?, ref: 3549

! species:  dinocap
! formula:  C_{18}H_{24}N_2O_6
! trivial:  
! casrn:    39300-45-3
! inchikey: RNDNTTTUTQAXII-GORDUTHDSA-N
Hvpx___39300_45_3 =  2.7E-04                                  ! [atm] type: V, ref: 3088

! species:  orysastrobin
! formula:  C_{18}H_{25}N_5O_5
! trivial:  
! casrn:    248593-16-0
! inchikey: JHIPUJPTQJYEQK-ZLHHXESBSA-N
Hvpx__248593_16_0 =  1.9E-06                                  ! [atm] type: ?, ref: 3766

! species:  spiroxamine
! formula:  C_{18}H_{35}NO_2
! trivial:  
! casrn:    118134-30-8
! inchikey: PUYXTUJWRLOUCW-UHFFFAOYSA-N
Hvpx__118134_30_8 =  1.4E-03                                  ! [atm] type: ?, ref: 3549
Hvpx__118134_30_8 =  2.7E-03                                  ! [atm] type: ?, ref: 3549

! species:  capsaicin
! formula:  C_{18}H_{27}NO_3
! trivial:  
! casrn:    404-86-4
! inchikey: YKPUWZUDDOIDPM-SOFGYWHQSA-N
Hvpx_____404_86_4 =  5.5E-09                                  ! [atm] type: Q, ref: 3088

! species:  mandestrobin
! formula:  C_{19}H_{23}NO_3
! trivial:  
! casrn:    173662-97-0
! inchikey: PDPWCKVFIFAQIQ-UHFFFAOYSA-N
Hvpx__173662_97_0 =  3.6E-07                                  ! [atm] type: ?, ref: 3549

! species:  dimoxystrobin
! formula:  C_{19}H_{22}N_2O_3
! trivial:  
! casrn:    149961-52-4
! inchikey: WXUZAHCNPWONDH-DYTRJAOYSA-N
Hvpx__149961_52_4 =  2.5E-08                                  ! [atm] type: ?, ref: 3549

! species:  ($RS$)-$\alpha$-2-naphthoxypropionanilide
! formula:  C_{19}H_{17}NO_2
! trivial:  naproanilide
! casrn:    52570-16-8
! inchikey: LVKTWOXHRYGDMM-UHFFFAOYSA-N
Hvpx___52570_16_8 =  3.4E-06                                  ! [atm] type: Q, ref: 2521
Hvpx___52570_16_8 =  7.3E-06                                  ! [atm] type: Q, ref: 2530

! species:  phenylbutazone
! formula:  C_{19}H_{20}N_2O_2
! trivial:  
! casrn:    50-33-9
! inchikey: VYMDGNCVAMGZFE-UHFFFAOYSA-N
Hvpx______50_33_9 =  3.6E-04                                  ! [atm] type: Q, ref: 3088

! species:  phenisopham
! formula:  C_{19}H_{22}N_2O_4
! trivial:  
! casrn:    57375-63-0
! inchikey: PWEOEHNGYFXZLI-UHFFFAOYSA-N
Hvpx___57375_63_0 =  4.1E-05                                  ! [atm] type: ?, ref: 3087

! species:  formoterol
! formula:  C_{19}H_{24}N_2O_4
! trivial:  
! casrn:    73573-87-2
! inchikey: BPZSYCZIITTYBL-ORAYPTAESA-N
Hvpx___73573_87_2 =  5.0E-18                                  ! [atm] type: Q, ref: 3088

! species:  benalaxyl-m
! formula:  C_{20}H_{23}NO_3
! trivial:  
! casrn:    98243-83-5
! inchikey: CJPQIRJHIZUAQP-MRXNPFEDSA-N
Hvpx___98243_83_5 =  1.3E-04                                  ! [atm] type: ?, ref: 3549

! species:  benalaxyl
! formula:  C_{20}H_{23}NO_3
! trivial:  
! casrn:    71626-11-4
! inchikey: CJPQIRJHIZUAQP-UHFFFAOYSA-N
Hvpx___71626_11_4 =  6.4E-03                                  ! [atm] type: V, ref: 3586
Hvpx___71626_11_4 =  6.6E-03                                  ! [atm] type: V, ref: 2614
Hvpx___71626_11_4 =  1.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx___71626_11_4 =  3.6E-03                                  ! [atm] type: ?, ref: 3549

! species:  tralkoxydim
! formula:  C_{20}H_{27}NO_3
! trivial:  
! casrn:    87820-88-0
! inchikey: SOTLWPHEAQOHHC-UHFFFAOYSA-N
Hvpx___87820_88_0 =  1.3E-05                                  ! [atm] type: V, ref: 3088

! species:  neotame
! formula:  C_{20}H_{30}N_2O_5
! trivial:  
! casrn:    165450-17-9
! inchikey: HLIAVLHNDJUHFG-HOTGVXAUSA-N
Hvpx__165450_17_9 =  1.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  colchicine
! formula:  C_{22}H_{25}NO_6
! trivial:  
! casrn:    64-86-8
! inchikey: IAKHMKGGTNLKSZ-MRXNPFEDSA-N
Hvpx______64_86_8 =  1.0E-12                                  ! [atm] type: Q, ref: 3088

! species:  tebufenozide
! formula:  C_{22}H_{28}N_2O_2
! trivial:  
! casrn:    112410-23-8
! inchikey: QYPNKSZPJQQLRK-UHFFFAOYSA-N
Hvpx__112410_23_8 =  7.2E-04                                  ! [atm] type: V, ref: 3088
Hvpx__112410_23_8 =  3.6E-05                                  ! [atm] type: ?, ref: 3549

! species:  methoxyfenozide
! formula:  C_{22}H_{28}N_2O_3
! trivial:  
! casrn:    161050-58-4
! inchikey: QCAWEPFNJXQPAN-UHFFFAOYSA-N
Hvpx__161050_58_4 =  2.1E-07                                  ! [atm] type: Q, ref: 3088
Hvpx__161050_58_4 =  9.0E-05                                  ! [atm] type: ?, ref: 3549

! species:  propoxyphene
! formula:  C_{22}H_{29}NO_2
! trivial:  
! casrn:    469-62-5
! inchikey: XLMALTXPSGQGBX-PGRDOPGGSA-N
Hvpx_____469_62_5 =  1.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  ($Z$)-13-docosenamide
! formula:  C_{22}H_{43}NO
! trivial:  erucamide
! casrn:    112-84-5
! inchikey: UAUDZVJPLUQNMU-KTKRTIGZSA-N
Hvpx_____112_84_5 =  1.6E-01                                  ! [atm] type: Q, ref: 3088

! species:  butroxydim
! formula:  C_{24}H_{33}NO_4
! trivial:  
! casrn:    138164-12-2
! inchikey: ZOGDSYNXUXQGHF-XIEYBQDHSA-N
Hvpx__138164_12_2 =  3.2E-05                                  ! [atm] type: ?, ref: 3087

! species:  2,2-bis[4-(4-aminophenoxy)phenyl]propane
! formula:  C_{27}H_{26}N_2O_2
! trivial:  
! casrn:    13080-86-9
! inchikey: KMKWGXGSGPYISJ-UHFFFAOYSA-N
Hvpx___13080_86_9 =  2.8E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___13080_86_9 =  2.0E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___13080_86_9 =  5.3E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___13080_86_9 =  1.8E-11                                  ! [atm] type: Q, ref: 2995

! species:  1,4-bis[(4-methylphenyl)amino]-9,10-anthracenedione
! formula:  C_{28}H_{22}N_2O_2
! trivial:  D\&C Green No. 6
! casrn:    128-80-3
! inchikey: TVRGPOFMYCMNRB-UHFFFAOYSA-N
Hvpx_____128_80_3 =  8.3E-12                                  ! [atm] type: Q, ref: 3088

! species:  mifepristone
! formula:  C_{29}H_{35}NO_2
! trivial:  
! casrn:    84371-65-3
! inchikey: VKHAHZOOUSRJNA-GCNJZUOMSA-N
Hvpx___84371_65_3 =  2.8E+00                                  ! [atm] type: Q, ref: 3088

! species:  2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
! formula:  C_{34}H_{34}N_2O_3
! trivial:  
! casrn:    70516-41-5
! inchikey: HUSIBQLZEMMTCQ-UHFFFAOYSA-N
Hvpx___70516_41_5 =  6.5E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___70516_41_5 =  2.8E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___70516_41_5 =  1.6E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___70516_41_5 =  6.8E-10                                  ! [atm] type: Q, ref: 2995

! species:  spinetoram
! formula:  C_{42}H_{69}NO_{10}
! trivial:  
! casrn:    935545-74-7
! inchikey: GOENIMGKWNZVDA-OAMCMWGQSA-N
Hvpx__935545_74_7 =  5.4E-03                                  ! [atm] type: ?, ref: 3549
Hvpx__935545_74_7 =  5.1E-05                                  ! [atm] type: ?, ref: 3549
Hvpx__935545_74_7 =  3.4E-03                                  ! [atm] type: ?, ref: 3549
Hvpx__935545_74_7 =  2.7E-04                                  ! [atm] type: ?, ref: 3549
Hvpx__935545_74_7 =  1.9E-03                                  ! [atm] type: ?, ref: 3549
Hvpx__935545_74_7 =  1.9E-04                                  ! [atm] type: ?, ref: 3549
Hvpx__935545_74_7 =  1.3E-02                                  ! [atm] type: ?, ref: 3549
Hvpx__935545_74_7 =  2.2E-03                                  ! [atm] type: ?, ref: 3549

! species:  spinosad
! formula:  C_{42}H_{71}NO_9
! trivial:  
! casrn:    168316-95-8
! inchikey: RQOIAWYOVOXMST-UHFFFAOYSA-N
Hvpx__168316_95_8 =  1.0E-07                                  ! [atm] type: ?, ref: 3549
Hvpx__168316_95_8 =  1.3E-05                                  ! [atm] type: ?, ref: 3549

! species:  emamectin benzoate
! formula:  C_{56}H_{81}NO_{15}
! trivial:  
! casrn:    155569-91-8
! inchikey: GCKZANITAMOIAR-UHFFFAOYSA-N
Hvpx__155569_91_8 =  9.4E-05                                  ! [atm] type: V, ref: 3088
Hvpx__155569_91_8 =  2.2E-02                                  ! [atm] type: ?, ref: 3549
Hvpx__155569_91_8 =  9.3E-05                                  ! [atm] type: ?, ref: 3549
Hvpx__155569_91_8 =  7.1E-06                                  ! [atm] type: ?, ref: 3549

! species:  glutamic acid
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    617-65-2
! inchikey: WHUUTDBJXJRKMK-UHFFFAOYSA-N
Hvpx_____617_65_2 =  6.0E-09                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____617_65_2 =  3.1E-11                                  ! [atm] type: Q, ref: 3406
Hvpx_____617_65_2 =  5.7E-09                                  ! [atm] type: Q, ref: 3579
Hvpx_____617_65_2 =  5.5E-12                                  ! [atm] type: E, ref: 588

! species:  asparagine
! formula:  C_4H_8N_2O_3
! trivial:  
! casrn:    70-47-3
! inchikey: DCXYFEDJOCDNAF-UWTATZPHSA-N
Hvpx______70_47_3 =  5.5E-12                                  ! [atm] type: E, ref: 588

! species:  serine
! formula:  C_3H_7NO_3
! trivial:  
! casrn:    302-84-1
! inchikey: MTCFGRXMJLQNBG-UHFFFAOYSA-N
Hvpx_____302_84_1 =  1.4E-11                                  ! [atm] type: E, ref: 588

! species:  glutamine
! formula:  C_5H_{10}N_2O_3
! trivial:  
! casrn:    56-85-9
! inchikey: ZDXPYRJPNDTMRX-GSVOUGTGSA-N
Hvpx______56_85_9 =  1.7E-11                                  ! [atm] type: Q, ref: 3088
Hvpx______56_85_9 =  5.5E-12                                  ! [atm] type: E, ref: 588

! species:  glycine
! formula:  C_2H_5NO_2
! trivial:  
! casrn:    56-40-6
! inchikey: DHMQDGOQFOQNFH-UHFFFAOYSA-N
Hvpx______56_40_6 =  4.6E-12 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2231
Hvpx______56_40_6 =  6.1E-07                                  ! [atm] type: E, ref: 588

! species:  arginine
! formula:  C_6H_{14}N_4O_2
! trivial:  
! casrn:    74-79-3
! inchikey: ODKSFYDXXFIFQN-SCSAIBSYSA-N
Hvpx______74_79_3 =  5.5E-16                                  ! [atm] type: E, ref: 588

! species:  alanine
! formula:  C_3H_7NO_2
! trivial:  
! casrn:    302-72-7
! inchikey: QNAYBMKLOCPYGJ-UHFFFAOYSA-N
Hvpx_____302_72_7 =  1.5E-11 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2231
Hvpx_____302_72_7 =  9.2E-07                                  ! [atm] type: E, ref: 588

! species:  leucine
! formula:  C_6H_{13}NO_2
! trivial:  
! casrn:    328-39-2
! inchikey: ROHFNLRQFUQHCH-UHFFFAOYSA-N
Hvpx_____328_39_2 =  2.8E-06                                  ! [atm] type: E, ref: 588

! species:  cyanuric acid
! formula:  C_3H_3N_3O_3
! trivial:  
! casrn:    108-80-5
! inchikey: ZFSLODLOARCGLH-UHFFFAOYSA-N
Hvpx_____108_80_5 =  4.8E-10                                  ! [atm] type: Q, ref: 3088
Hvpx_____108_80_5 =  4.8E-10                                  ! [atm] type: Q, ref: 2995
Hvpx_____108_80_5 =  1.6E-06                                  ! [atm] type: Q, ref: 2995
Hvpx_____108_80_5 =  1.3E-11                                  ! [atm] type: Q, ref: 2995
Hvpx_____108_80_5 =  1.4E-08                                  ! [atm] type: Q, ref: 2995

! species:  isoxazole
! formula:  C_3H_3NO
! trivial:  
! casrn:    288-14-2
! inchikey: CTAPFRYPJLPFDF-UHFFFAOYSA-N
Hvpx_____288_14_2 =  1.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____288_14_2 =  1.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____288_14_2 =  2.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____288_14_2 =  2.7E+00                                  ! [atm] type: Q, ref: 2530

! species:  glycidamide
! formula:  C_3H_5NO_2
! trivial:  
! casrn:    5694-00-8
! inchikey: FMAZQSYXRGRESX-UHFFFAOYSA-N
Hvpx____5694_00_8 =  7.1E-06                                  ! [atm] type: Q, ref: 3088

! species:  cyclonite
! formula:  C_3H_6N_6O_6
! trivial:  
! casrn:    121-82-4
! inchikey: XTFIVUDBNACUBN-UHFFFAOYSA-N
Hvpx_____121_82_4 =  1.1E-06                                  ! [atm] type: V, ref: 3088

! species:  5-methyl-3-(2H)-isoxazolone
! formula:  C_4H_5NO_2
! trivial:  hymexazol
! casrn:    10004-44-1
! inchikey: KGVPNLBXJKTABS-UHFFFAOYSA-N
Hvpx___10004_44_1 =  1.2E-04                                  ! [atm] type: V, ref: 3586
Hvpx___10004_44_1 =  1.2E-03                                  ! [atm] type: Q, ref: 3586
Hvpx___10004_44_1 =  1.1E-04                                  ! [atm] type: Q, ref: 2521
Hvpx___10004_44_1 =  3.5E-03                                  ! [atm] type: Q, ref: 2530
Hvpx___10004_44_1 =  7.6E-05                                  ! [atm] type: ?, ref: 3549

! species:  3-amino-1H-pyridazin-6-one
! formula:  C_4H_5N_3O
! trivial:  maleic hydrazide
! casrn:    10071-13-3
! inchikey: MMZLICVOTDAZOX-UHFFFAOYSA-N
Hvpx___10071_13_3 =  4.5E-08                                  ! [atm] type: ?, ref: 3766

! species:  maleic hydrazide
! formula:  C_4H_4N_2O_2
! trivial:  
! casrn:    123-33-1
! inchikey: BGRDGMRNKXEXQD-UHFFFAOYSA-N
Hvpx_____123_33_1 =  2.2E-08                                  ! [atm] type: ?, ref: 3549

! species:  allantoin
! formula:  C_4H_6N_4O_3
! trivial:  
! casrn:    97-59-6
! inchikey: POJWUDADGALRAB-UHFFFAOYSA-N
Hvpx______97_59_6 =  1.9E-13                                  ! [atm] type: Q, ref: 3088

! species:  2-pyrrolidinone
! formula:  C_4H_7NO
! trivial:  
! casrn:    616-45-5
! inchikey: HNJBEVLQSNELDL-UHFFFAOYSA-N
Hvpx_____616_45_5 =  5.9E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____616_45_5 =  5.9E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____616_45_5 =  4.6E-04                                  ! [atm] type: Q, ref: 3586

! species:  4-nitrosomorpholine
! formula:  C_4H_8N_2O_2
! trivial:  
! casrn:    59-89-2
! inchikey: ZKXDGKXYMTYWTB-UHFFFAOYSA-N
Hvpx______59_89_2 =  1.4E-03                                  ! [atm] type: M, ref: 3082
Hvpx______59_89_2 =  6.0E-04                                  ! [atm] type: Q, ref: 2521
Hvpx______59_89_2 =  3.6E-03                                  ! [atm] type: Q, ref: 2530

! species:  N-nitrosopyrrolidine
! formula:  C_4H_8N_2O
! trivial:  
! casrn:    930-55-2
! inchikey: WNYADZVDBIBLJJ-UHFFFAOYSA-N
Hvpx_____930_55_2 =  3.6E-03 * EXP(  -8500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3080
Hvpx_____930_55_2 =  2.8E-03                                  ! [atm] type: M, ref: 3082
Hvpx_____930_55_2 =  1.6E-02                                  ! [atm] type: Q, ref: 2521

! species:  cyclotetramethylenetetranitramine
! formula:  C_4H_8N_8O_8
! trivial:  
! casrn:    2691-41-0
! inchikey: UZGLIIJVICEWHF-UHFFFAOYSA-N
Hvpx____2691_41_0 =  4.8E-05                                  ! [atm] type: Q, ref: 3088

! species:  1-oxa-4-azacyclohexane
! formula:  C_4H_9NO
! trivial:  morpholine
! casrn:    110-91-8
! inchikey: YNAVUWVOSKDBBP-UHFFFAOYSA-N
Hvpx_____110_91_8 =  2.9E-03 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3584
Hvpx_____110_91_8 =  6.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____110_91_8 =  6.6E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____110_91_8 =  7.5E-03 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: T, ref: 2376
Hvpx_____110_91_8 =  2.5E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_91_8 =  3.3E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_91_8 =  6.8E-03                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_91_8 =  5.8E-03                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_91_8 =  5.4E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____110_91_8 =  1.3E-02                                  ! [atm] type: ?, ref: 2440

! species:  1-aziridineethanol
! formula:  C_4H_9NO
! trivial:  
! casrn:    1072-52-2
! inchikey: VYONOYYDEFODAJ-UHFFFAOYSA-N
Hvpx____1072_52_2 =  4.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  2-ethyl-3-methoxypyrazine
! formula:  C_4N_2H_3(C_2H_5)OCH_3
! trivial:  
! casrn:    25680-58-4
! inchikey: DPCILIMHENXHQX-UHFFFAOYSA-N
Hvpx___25680_58_4 =  8.1E-01                                  ! [atm] type: M, ref: 755
Hvpx___25680_58_4 =  2.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx___25680_58_4 =  2.1E-01                                  ! [atm] type: Q, ref: 2530

! species:  2-isobutyl-3-methoxypyrazine
! formula:  C_4N_2H_3(C_4H_9)OCH_3
! trivial:  
! casrn:    24683-00-9
! inchikey: UXFSPRAGHGMRSQ-UHFFFAOYSA-N
Hvpx___24683_00_9 =  3.3E+00                                  ! [atm] type: M, ref: 1922
Hvpx___24683_00_9 =  2.7E+00                                  ! [atm] type: M, ref: 755
Hvpx___24683_00_9 =  4.3E-01                                  ! [atm] type: Q, ref: 2530

! species:  N-nitrosopiperidine
! formula:  C_5H_{10}N_2O
! trivial:  
! casrn:    100-75-4
! inchikey: UWSDONTXWQOZFN-UHFFFAOYSA-N
Hvpx_____100_75_4 =  4.9E-02                                  ! [atm] type: M, ref: 3082
Hvpx_____100_75_4 =  1.9E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_75_4 =  5.7E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_75_4 =  1.6E-01                                  ! [atm] type: Q, ref: 3764

! species:  butyl carbamate
! formula:  C_5H_{11}NO_2
! trivial:  
! casrn:    592-35-8
! inchikey: SKKTUOZKZKCGTB-UHFFFAOYSA-N
Hvpx_____592_35_8 =  5.1E-03                                  ! [atm] type: Q, ref: 3088

! species:  4-methyl-1-oxa-4-azacyclohexane
! formula:  C_5H_{11}NO
! trivial:  N-methylmorpholine; 4-methylmorpholine
! casrn:    109-02-4
! inchikey: SJRJJKPEHAURKC-UHFFFAOYSA-N
Hvpx_____109_02_4 =  1.1E-01                                  ! [atm] type: M, ref: 3426
Hvpx_____109_02_4 =  4.7E-02 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3685
Hvpx_____109_02_4 =  3.1E-02 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: T, ref: 2376
Hvpx_____109_02_4 =  5.7E-02                                  ! [atm] type: Q, ref: 3426
Hvpx_____109_02_4 =  1.5E-01                                  ! [atm] type: Q, ref: 3426
Hvpx_____109_02_4 =  9.6E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_02_4 =  8.6E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_02_4 =  4.0E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_02_4 =  3.2E-02                                  ! [atm] type: Q, ref: 984

! species:  allopurinol
! formula:  C_5H_4N_4O
! trivial:  
! casrn:    315-30-0
! inchikey: OFCNXPDARWKPPY-UHFFFAOYSA-N
Hvpx_____315_30_0 =  1.1E-09                                  ! [atm] type: Q, ref: 3088

! species:  4-methoxypyridine
! formula:  C_5H_4NOCH_3
! trivial:  
! casrn:    620-08-6
! inchikey: XQABVLBGNWBWIV-UHFFFAOYSA-N

! species:  N-methyl-2-pyrrolidone
! formula:  C_5H_9NO
! trivial:  
! casrn:    872-50-4
! inchikey: SECXISVLQFMRJM-UHFFFAOYSA-N
Hvpx_____872_50_4 =  1.7E-04 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____872_50_4 =  2.5E-04 * EXP(  -9100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2826
Hvpx_____872_50_4 =  1.8E-04                                  ! [atm] type: M, ref: 2837
Hvpx_____872_50_4 =  2.0E-04                                  ! [atm] type: Q, ref: 3730
Hvpx_____872_50_4 =  5.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____872_50_4 =  1.5E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____872_50_4 =  1.8E-04                                  ! [atm] type: ?, ref: 3586

! species:  5,5-dimethyl-2,4-imidazolidinedione
! formula:  C_5H_8N_2O_2
! trivial:  
! casrn:    77-71-4
! inchikey: YIROYDNZEPTFOL-UHFFFAOYSA-N
Hvpx______77_71_4 =  1.5E-04                                  ! [atm] type: Q, ref: 3088
Hvpx______77_71_4 =  1.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______77_71_4 =  3.3E-06                                  ! [atm] type: Q, ref: 2995
Hvpx______77_71_4 =  1.1E-07                                  ! [atm] type: Q, ref: 2995
Hvpx______77_71_4 =  3.3E-06                                  ! [atm] type: Q, ref: 2995

! species:  1-methyluracil
! formula:  C_5H_6N_2O_2
! trivial:  
! casrn:    615-77-0
! inchikey: XBCXJKGHPABGSD-UHFFFAOYSA-N
Hvpx_____615_77_0 =  2.3E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____615_77_0 =  2.6E-06                                  ! [atm] type: Q, ref: 3586

! species:  2-azacycloheptanone
! formula:  C_6H_{11}NO
! trivial:  caprolactam
! casrn:    105-60-2
! inchikey: JBKVHLHDHHXQEQ-UHFFFAOYSA-N
Hvpx_____105_60_2 =  3.0E-06                                  ! [atm] type: V, ref: 3088
Hvpx_____105_60_2 =  2.8E-04                                  ! [atm] type: V, ref: 2439
Hvpx_____105_60_2 =  1.4E-05                                  ! [atm] type: Q, ref: 3627

! species:  N-acetylpyrrolidine
! formula:  C_6H_{11}NO
! trivial:  
! casrn:    4030-18-6
! inchikey: LNWWQYYLZVZXKS-UHFFFAOYSA-N
Hvpx____4030_18_6 =  8.8E-05                                  ! [atm] type: M, ref: 2014

! species:  glucosamine
! formula:  C_6H_{13}NO_5
! trivial:  
! casrn:    3416-24-8
! inchikey: MSWZFWKMSRAUBD-IVMDWMLBSA-N
Hvpx____3416_24_8 =  4.3E-11                                  ! [atm] type: Q, ref: 3088

! species:  N-ethylmorpholine
! formula:  C_6H_{13}NO
! trivial:  
! casrn:    100-74-3
! inchikey: HVCNXQOWACZAFN-UHFFFAOYSA-N
Hvpx_____100_74_3 =  1.4E-03                                  ! [atm] type: Q, ref: 3088

! species:  3-formylpyridine
! formula:  C_6H_5NO
! trivial:  
! casrn:    500-22-1
! inchikey: QJZUKDFHGGYHMC-UHFFFAOYSA-N
Hvpx_____500_22_1 =  8.3E-03                                  ! [atm] type: R, ref: 1501
Hvpx_____500_22_1 =  8.4E-03                                  ! [atm] type: Q, ref: 3730
Hvpx_____500_22_1 =  3.7E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____500_22_1 =  5.3E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____500_22_1 =  2.0E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____500_22_1 =  8.3E-03                                  ! [atm] type: Q, ref: 2535
Hvpx_____500_22_1 =  4.6E-03                                  ! [atm] type: Q, ref: 2543
Hvpx_____500_22_1 =  1.5E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____500_22_1 =  8.3E-03                                  ! [atm] type: ?, ref: 3586

! species:  4-formylpyridine
! formula:  C_6H_5NO
! trivial:  
! casrn:    872-85-5
! inchikey: BGUWFUQJCDRPTL-UHFFFAOYSA-N
Hvpx_____872_85_5 =  9.8E-03                                  ! [atm] type: R, ref: 1501
Hvpx_____872_85_5 =  8.4E-03                                  ! [atm] type: Q, ref: 3730
Hvpx_____872_85_5 =  3.7E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____872_85_5 =  5.3E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____872_85_5 =  2.5E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____872_85_5 =  8.3E-03                                  ! [atm] type: Q, ref: 2535
Hvpx_____872_85_5 =  8.5E-03                                  ! [atm] type: Q, ref: 2543
Hvpx_____872_85_5 =  1.5E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____872_85_5 =  9.8E-03                                  ! [atm] type: ?, ref: 3586

! species:  niacinamide
! formula:  C_6H_6N_2O
! trivial:  
! casrn:    98-92-0
! inchikey: DFPAKSUCGFBDDF-UHFFFAOYSA-N
Hvpx______98_92_0 =  1.6E-07                                  ! [atm] type: Q, ref: 3088

! species:  metronidazole
! formula:  C_6H_9N_3O_3
! trivial:  
! casrn:    443-48-1
! inchikey: VAOCPAMSLUNLGC-UHFFFAOYSA-N
Hvpx_____443_48_1 =  9.4E-07                                  ! [atm] type: Q, ref: 3088

! species:  nicotinic acid
! formula:  C_6H_5NO_2
! trivial:  
! casrn:    59-67-6
! inchikey: PVNIIMVLHYAWGP-UHFFFAOYSA-N
Hvpx______59_67_6 =  2.2E-05                                  ! [atm] type: Q, ref: 3627

! species:  isonicotinic acid
! formula:  C_6H_5NO_2
! trivial:  
! casrn:    55-22-1
! inchikey: TWBYWOBDOCUKOW-UHFFFAOYSA-N
Hvpx______55_22_1 =  3.5E-05                                  ! [atm] type: Q, ref: 3627

! species:  1-methylthymine
! formula:  C_6H_8N_2O_2
! trivial:  
! casrn:    4160-72-9
! inchikey: GKMIDMKPBOUSBQ-UHFFFAOYSA-N
Hvpx____4160_72_9 =  3.2E-05                                  ! [atm] type: ?, ref: 3766

! species:  glydant
! formula:  C_7H_{12}N_2O_4
! trivial:  1,3-dimethylol-5,5-dimethylhydantoin
! casrn:    6440-58-0
! inchikey: WSDISUOETYTPRL-UHFFFAOYSA-N
Hvpx____6440_58_0 =  3.9E-07                                  ! [atm] type: Q, ref: 3088

! species:  3-quinuclidinol
! formula:  C_7H_{13}NO
! trivial:  
! casrn:    1619-34-7
! inchikey: IVLICPVPXWEGCA-UHFFFAOYSA-N
Hvpx____1619_34_7 =  3.3E-04                                  ! [atm] type: M, ref: 3426
Hvpx____1619_34_7 =  3.0E-05                                  ! [atm] type: Q, ref: 3426
Hvpx____1619_34_7 =  1.1E-04                                  ! [atm] type: Q, ref: 3426
Hvpx____1619_34_7 =  4.5E-05                                  ! [atm] type: Q, ref: 3088

! species:  dinotefuran
! formula:  C_7H_{14}N_4O_3
! trivial:  
! casrn:    165252-70-0
! inchikey: YKBZOVFACRVRJN-UHFFFAOYSA-N
Hvpx__165252_70_0 =  3.5E-09                                  ! [atm] type: V, ref: 3088

! species:  1,2,3-benzotriazin-4(1H)-one
! formula:  C_7H_5N_3O
! trivial:  
! casrn:    90-16-4
! inchikey: DMSSTTLDFWKBSX-UHFFFAOYSA-N
Hvpx______90_16_4 =  1.8E-05                                  ! [atm] type: Q, ref: 3088

! species:  4-acetylpyridine
! formula:  C_7H_7NO
! trivial:  
! casrn:    1122-54-9
! inchikey: WMQUKDQWMMOHSA-UHFFFAOYSA-N
Hvpx____1122_54_9 =  3.5E-03                                  ! [atm] type: R, ref: 1501
Hvpx____1122_54_9 =  6.2E-03                                  ! [atm] type: Q, ref: 3730
Hvpx____1122_54_9 =  1.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx____1122_54_9 =  2.8E-03                                  ! [atm] type: Q, ref: 2521
Hvpx____1122_54_9 =  1.3E-02                                  ! [atm] type: Q, ref: 2530
Hvpx____1122_54_9 =  6.8E-03                                  ! [atm] type: Q, ref: 2543
Hvpx____1122_54_9 =  2.0E-02                                  ! [atm] type: Q, ref: 984
Hvpx____1122_54_9 =  3.5E-03                                  ! [atm] type: ?, ref: 3586

! species:  3-acetylpyridine
! formula:  C_7H_7NO
! trivial:  
! casrn:    350-03-8
! inchikey: WEGYGNROSJDEIW-UHFFFAOYSA-N
Hvpx_____350_03_8 =  1.2E-03                                  ! [atm] type: R, ref: 1501
Hvpx_____350_03_8 =  6.2E-03                                  ! [atm] type: Q, ref: 3730
Hvpx_____350_03_8 =  1.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____350_03_8 =  2.9E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____350_03_8 =  1.0E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____350_03_8 =  2.0E-02                                  ! [atm] type: Q, ref: 984
Hvpx_____350_03_8 =  1.2E-03                                  ! [atm] type: ?, ref: 3586

! species:  theophylline
! formula:  C_7H_8N_4O_2
! trivial:  
! casrn:    58-55-9
! inchikey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Hvpx______58_55_9 =  1.0E-09                                  ! [atm] type: Q, ref: 3088

! species:  theobromine
! formula:  C_7H_8N_4O_2
! trivial:  
! casrn:    83-67-0
! inchikey: YAPQBXQYLJRXSA-UHFFFAOYSA-N
Hvpx______83_67_0 =  8.9E-07                                  ! [atm] type: Q, ref: 3088

! species:  2-pyridineethanol
! formula:  C_7H_9NO
! trivial:  
! casrn:    103-74-2
! inchikey: BXGYBSJAZFGIPX-UHFFFAOYSA-N
Hvpx_____103_74_2 =  8.3E-06                                  ! [atm] type: Q, ref: 3088

! species:  caffeine
! formula:  C_8H_{10}N_4O_2
! trivial:  
! casrn:    58-08-2
! inchikey: RYYVLZVUVIJVGH-UHFFFAOYSA-N
Hvpx______58_08_2 =  6.1E-07                                  ! [atm] type: V, ref: 3088

! species:  acyclovir
! formula:  C_8H_{11}N_5O_3
! trivial:  
! casrn:    59277-89-3
! inchikey: MKUXAQIIEYXACX-UHFFFAOYSA-N
Hvpx___59277_89_3 =  1.8E-17                                  ! [atm] type: Q, ref: 3088

! species:  2-methoxy-3-(1-methylethyl)-pyrazine
! formula:  C_8H_{12}N_2O
! trivial:  
! casrn:    25773-40-4
! inchikey: NTOPKICPEQUPPH-UHFFFAOYSA-N
Hvpx___25773_40_4 =  2.6E-02                                  ! [atm] type: Q, ref: 3719
Hvpx___25773_40_4 =  3.7E-02                                  ! [atm] type: Q, ref: 2521

! species:  simeton
! formula:  C_8H_{15}N_5O
! trivial:  
! casrn:    673-04-1
! inchikey: HKAMKLBXTLTVCN-UHFFFAOYSA-N
Hvpx_____673_04_1 =  3.6E-05                                  ! [atm] type: Q, ref: 2521
Hvpx_____673_04_1 =  2.1E-05                                  ! [atm] type: Q, ref: 2526

! species:  N-isobutylmorpholine
! formula:  C_8H_{17}NO
! trivial:  
! casrn:    10315-98-7
! inchikey: QKVSMSABRNCNRS-UHFFFAOYSA-N

! species:  phthalimide
! formula:  C_8H_5NO_2
! trivial:  
! casrn:    85-41-6
! inchikey: XKJCHHZQLQNZHY-UHFFFAOYSA-N
Hvpx______85_41_6 =  5.5E-04                                  ! [atm] type: Q, ref: 3088

! species:  furazolidone
! formula:  C_8H_7N_3O_5
! trivial:  
! casrn:    67-45-8
! inchikey: PLHJDBGFXBMTGZ-UHFFFAOYSA-N
Hvpx______67_45_8 =  1.8E-06                                  ! [atm] type: Q, ref: 3088

! species:  1,2,3,6-tetrahydrophthalimide
! formula:  C_8H_9NO_2
! trivial:  
! casrn:    85-40-5
! inchikey: CIFFBTOJCKSRJY-UHFFFAOYSA-N
Hvpx______85_40_5 =  1.7E-03                                  ! [atm] type: Q, ref: 3088

! species:  N-nitrosonornicotine
! formula:  C_9H_{11}N_3O
! trivial:  
! casrn:    16543-55-8
! inchikey: XKABJYQDMJTNGQ-UHFFFAOYSA-N
Hvpx___16543_55_8 =  9.4E-06                                  ! [atm] type: Q, ref: 3088

! species:  9-[(1,3-dihydroxy-2-propoxy)methyl]guanine
! formula:  C_9H_{13}N_5O_4
! trivial:  ganciclovir
! casrn:    82410-32-0
! inchikey: IRSCQMHQWWYFCW-UHFFFAOYSA-N
Hvpx___82410_32_0 =  8.3E-19                                  ! [atm] type: Q, ref: 3088

! species:  2-{\it sec}-butyl-3-methoxypyrazine
! formula:  C_9H_{14}N_2O
! trivial:  
! casrn:    24168-70-5
! inchikey: QMQDJVIJVPEQHE-UHFFFAOYSA-N
Hvpx___24168_70_5 =  2.7E+00                                  ! [atm] type: ?, ref: 3766

! species:  atraton
! formula:  C_9H_{17}N_5O
! trivial:  
! casrn:    1610-17-9
! inchikey: PXWUKZGIHQRDHL-UHFFFAOYSA-N
Hvpx____1610_17_9 =  8.5E-05                                  ! [atm] type: Q, ref: 2521
Hvpx____1610_17_9 =  4.8E-05                                  ! [atm] type: Q, ref: 2526
Hvpx____1610_17_9 =  2.4E-04                                  ! [atm] type: ?, ref: 3087

! species:  4-hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxy
! formula:  C_9H_{18}NO_2
! trivial:  
! casrn:    2226-96-2
! inchikey: UZFMOKQJFYMBGY-UHFFFAOYSA-N
Hvpx____2226_96_2 =  1.7E-10                                  ! [atm] type: Q, ref: 3088

! species:  8-hydroxyquinoline
! formula:  C_9H_7NO
! trivial:  
! casrn:    148-24-3
! inchikey: MCJGNVYPOGVAJF-UHFFFAOYSA-N
Hvpx_____148_24_3 =  3.2E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____148_24_3 =  3.2E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____148_24_3 =  6.2E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____148_24_3 =  1.0E-03                                  ! [atm] type: ?, ref: 3549

! species:  carbendazim
! formula:  C_9H_9N_3O_2
! trivial:  
! casrn:    10605-21-7
! inchikey: TWFZGCMQGLPBSX-UHFFFAOYSA-N
Hvpx___10605_21_7 =  1.2E-06                                  ! [atm] type: V, ref: 3088
Hvpx___10605_21_7 =  8.5E-07                                  ! [atm] type: V, ref: 2614

! species:  metamitron
! formula:  C_{10}H_{10}N_4O
! trivial:  
! casrn:    41394-05-2
! inchikey: VHCNQEUWZYOAEV-UHFFFAOYSA-N
Hvpx___41394_05_2 =  5.3E-07                                  ! [atm] type: X, ref: barcelo97
Hvpx___41394_05_2 =  2.5E-07                                  ! [atm] type: C, ref: 1931
Hvpx___41394_05_2 =  1.2E-04                                  ! [atm] type: Q, ref: 3729
Hvpx___41394_05_2 =  1.9E-08                                  ! [atm] type: Q, ref: 1931
Hvpx___41394_05_2 =  3.4E-08                                  ! [atm] type: Q, ref: 1931
Hvpx___41394_05_2 =  4.9E-08                                  ! [atm] type: ?, ref: 3549

! species:  pymetrozin
! formula:  C_{10}H_{11}N_5O
! trivial:  
! casrn:    123312-89-0
! inchikey: QHMTXANCGGJZRX-UHFFFAOYSA-N
Hvpx__123312_89_0 =  1.7E-06                                  ! [atm] type: V, ref: 3088

! species:  3-oxo-N-phenylbutanamide
! formula:  C_{10}H_{11}NO_2
! trivial:  acetoacetanilide
! casrn:    102-01-2
! inchikey: DYRDKSSFIWVSNM-UHFFFAOYSA-N
Hvpx_____102_01_2 =  2.3E-07                                  ! [atm] type: Q, ref: 3088

! species:  2,3'-didehydro-3'-deoxythymidine (stavudine)
! formula:  C_{10}H_{12}N_2O_4
! trivial:  stavudine
! casrn:    3056-17-5
! inchikey: XNKLLVCARDGLGL-JGVFFNPUSA-N
Hvpx____3056_17_5 =  1.3E-10                                  ! [atm] type: Q, ref: 3088

! species:  cotinine
! formula:  C_{10}H_{12}N_2O
! trivial:  
! casrn:    486-56-6
! inchikey: UIKROCXWUNQSPJ-UHFFFAOYSA-N
Hvpx_____486_56_6 =  1.8E-07                                  ! [atm] type: Q, ref: 3088

! species:  4-(N-nitroso-N-methylamino)-1-(3-pyridyl)-1-butanone
! formula:  C_{10}H_{13}N_3O_2
! trivial:  
! casrn:    64091-91-4
! inchikey: FLAQQSHRLBFIEZ-UHFFFAOYSA-N
Hvpx___64091_91_4 =  4.6E-09                                  ! [atm] type: Q, ref: 3088

! species:  9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanine
! formula:  C_{10}H_{15}N_5O_3
! trivial:  penciclovir
! casrn:    39809-25-1
! inchikey: JNTOCHDNEULJHD-UHFFFAOYSA-N
Hvpx___39809_25_1 =  5.3E-27                                  ! [atm] type: Q, ref: 3088

! species:  anatoxin A
! formula:  C_{10}H_{15}NO
! trivial:  
! casrn:    64285-06-9
! inchikey: SGNXVBOIDPPRJJ-UHFFFAOYSA-N
Hvpx___64285_06_9 =  3.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  dimetilan
! formula:  C_{10}H_{16}N_4O_3
! trivial:  
! casrn:    644-64-4
! inchikey: RDBIYWSVMRVKSG-UHFFFAOYSA-N
Hvpx_____644_64_4 =  2.3E-06                                  ! [atm] type: Q, ref: 3088

! species:  isolan
! formula:  C_{10}H_{17}N_3O_2
! trivial:  
! casrn:    119-38-0
! inchikey: RNNBHZYEKNHLKT-UHFFFAOYSA-N
Hvpx_____119_38_0 =  1.1E-04                                  ! [atm] type: Q, ref: 3088

! species:  amicarbazone
! formula:  C_{10}H_{19}N_5O_2
! trivial:  
! casrn:    129909-90-6
! inchikey: ORFPWVRKFLOQHK-UHFFFAOYSA-N
Hvpx__129909_90_6 =  3.7E-08                                  ! [atm] type: X, ref: macbean2012

! species:  prometone
! formula:  C_{10}H_{19}N_5O
! trivial:  prometon
! casrn:    1610-18-0
! inchikey: ISEUFVQQFVOBCY-UHFFFAOYSA-N
Hvpx____1610_18_0 =  5.0E-05                                  ! [atm] type: V, ref: 3088
Hvpx____1610_18_0 =  4.9E-05                                  ! [atm] type: V, ref: 2614
Hvpx____1610_18_0 =  4.9E-05                                  ! [atm] type: V, ref: 1157
Hvpx____1610_18_0 =  5.0E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx____1610_18_0 =  8.0E-03                                  ! [atm] type: Q, ref: 3729
Hvpx____1610_18_0 =  2.0E-04                                  ! [atm] type: Q, ref: 2521
Hvpx____1610_18_0 =  1.1E-04                                  ! [atm] type: Q, ref: 2526

! species:  secbumeton
! formula:  C_{10}H_{19}N_5O
! trivial:  
! casrn:    26259-45-0
! inchikey: ZJMZZNVGNSWOOM-UHFFFAOYSA-N
Hvpx___26259_45_0 =  1.9E-04                                  ! [atm] type: V, ref: 2614
Hvpx___26259_45_0 =  1.9E-04                                  ! [atm] type: V, ref: 1157
Hvpx___26259_45_0 =  1.1E-04                                  ! [atm] type: Q, ref: 2521
Hvpx___26259_45_0 =  7.6E-05                                  ! [atm] type: Q, ref: 2526
Hvpx___26259_45_0 =  2.0E-04                                  ! [atm] type: ?, ref: 3087

! species:  terbumeton
! formula:  C_{10}H_{19}N_5O
! trivial:  
! casrn:    33693-04-8
! inchikey: BCQMBFHBDZVHKU-UHFFFAOYSA-N
Hvpx___33693_04_8 =  2.6E-04                                  ! [atm] type: V, ref: 2614
Hvpx___33693_04_8 =  2.2E-04                                  ! [atm] type: Q, ref: 2521
Hvpx___33693_04_8 =  3.4E-04                                  ! [atm] type: Q, ref: 2526

! species:  kinetin
! formula:  C_{10}H_9N_5O
! trivial:  
! casrn:    525-79-1
! inchikey: QANMHLXAZMSUEX-UHFFFAOYSA-N
Hvpx_____525_79_1 =  6.6E-10                                  ! [atm] type: Q, ref: 3088

! species:  isouron
! formula:  C_{10}H_{17}N_3O_2
! trivial:  
! casrn:    55861-78-4
! inchikey: JLLJHQLUZAKJFH-UHFFFAOYSA-N
Hvpx___55861_78_4 =  7.5E-06                                  ! [atm] type: V, ref: 3586
Hvpx___55861_78_4 =  1.7E-02                                  ! [atm] type: Q, ref: 3586

! species:  fuberidazole
! formula:  C_{11}H_8N_2O
! trivial:  
! casrn:    3878-19-1
! inchikey: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
Hvpx____3878_19_1 =  2.8E-06                                  ! [atm] type: ?, ref: 3766

! species:  carbadox
! formula:  C_{11}H_{10}N_4O_4
! trivial:  
! casrn:    6804-07-5
! inchikey: OVGGLBAWFMIPPY-WUXMJOGZSA-N
Hvpx____6804_07_5 =  2.5E-18                                  ! [atm] type: Q, ref: 3088

! species:  bendiocarb
! formula:  C_{11}H_{13}NO_4
! trivial:  
! casrn:    22781-23-3
! inchikey: XEGGRYVFLWGFHI-UHFFFAOYSA-N
Hvpx___22781_23_3 =  2.2E-03                                  ! [atm] type: V, ref: 3586
Hvpx___22781_23_3 =  2.2E-03                                  ! [atm] type: V, ref: 3088
Hvpx___22781_23_3 =  2.0E-03                                  ! [atm] type: V, ref: 2614
Hvpx___22781_23_3 =  2.7E-03                                  ! [atm] type: Q, ref: 3586

! species:  2,3,5-trimethylphenol, methylcarbamate
! formula:  C_{11}H_{15}NO_2
! trivial:  2,3,5-trimethacarb
! casrn:    2655-15-4
! inchikey: NYOKZHDTNBDPOB-UHFFFAOYSA-N
Hvpx____2655_15_4 =  1.2E-02                                  ! [atm] type: V, ref: 3088

! species:  butalbital
! formula:  C_{11}H_{16}N_2O_3
! trivial:  
! casrn:    77-26-9
! inchikey: UZVHFVZFNXBMQJ-UHFFFAOYSA-N
Hvpx______77_26_9 =  3.5E-08                                  ! [atm] type: Q, ref: 3088

! species:  dexrazoxane
! formula:  C_{11}H_{16}N_4O_4
! trivial:  
! casrn:    24584-09-6
! inchikey: BMKDZUISNHGIBY-ZETCQYMHSA-N
Hvpx___24584_09_6 =  1.2E-14                                  ! [atm] type: Q, ref: 3088

! species:  pentobarbital
! formula:  C_{11}H_{18}N_2O_3
! trivial:  
! casrn:    76-74-4
! inchikey: WEXRUCMBJFQVBZ-UHFFFAOYSA-N
Hvpx______76_74_4 =  4.6E-08                                  ! [atm] type: Q, ref: 3088

! species:  pirimor
! formula:  C_{11}H_{18}N_4O_2
! trivial:  pirimicarb
! casrn:    23103-98-2
! inchikey: YFGYUFNIOHWBOB-UHFFFAOYSA-N
Hvpx___23103_98_2 =  4.6E-05                                  ! [atm] type: V, ref: 3088
Hvpx___23103_98_2 =  1.8E-04                                  ! [atm] type: V, ref: 2614
Hvpx___23103_98_2 =  1.1E-04                                  ! [atm] type: V, ref: 2973
Hvpx___23103_98_2 =  9.3E-05                                  ! [atm] type: V, ref: 2967
Hvpx___23103_98_2 =  1.7E-04                                  ! [atm] type: V, ref: 1157
Hvpx___23103_98_2 =  1.6E-05                                  ! [atm] type: ?, ref: 3549
Hvpx___23103_98_2 =  1.8E-05                                  ! [atm] type: ?, ref: 3549
Hvpx___23103_98_2 =  1.8E-05                                  ! [atm] type: ?, ref: 3549
Hvpx___23103_98_2 =  2.0E-05                                  ! [atm] type: ?, ref: 3549

! species:  ethirimol
! formula:  C_{11}H_{19}N_3O
! trivial:  
! casrn:    23947-60-6
! inchikey: BBXXLROWFHWFQY-UHFFFAOYSA-N
Hvpx___23947_60_6 =  1.5E-04                                  ! [atm] type: V, ref: 2614

! species:  pyroquilon
! formula:  C_{11}H_{11}NO
! trivial:  
! casrn:    57369-32-1
! inchikey: XRJLAOUDSILTFT-UHFFFAOYSA-N
Hvpx___57369_32_1 =  1.1E-04                                  ! [atm] type: ?, ref: 3766

! species:  fenfuram
! formula:  C_{12}H_{11}NO_2
! trivial:  
! casrn:    24691-80-3
! inchikey: JFSPBVWPKOEZCB-UHFFFAOYSA-N
Hvpx___24691_80_3 =  2.2E-05                                  ! [atm] type: V, ref: 2614

! species:  oxabetrinil
! formula:  C_{12}H_{12}N_2O_3
! trivial:  
! casrn:    74782-23-3
! inchikey: WFVUIONFJOAYPK-UHFFFAOYSA-N
Hvpx___74782_23_3 =  6.3E-03                                  ! [atm] type: ?, ref: 3766

! species:  phenobarbital
! formula:  C_{12}H_{12}N_2O_3
! trivial:  
! casrn:    50-06-6
! inchikey: DDBREPKUVSBGFI-UHFFFAOYSA-N
Hvpx______50_06_6 =  9.4E-10                                  ! [atm] type: Q, ref: 3088

! species:  triaziquone
! formula:  C_{12}H_{13}N_3O_2
! trivial:  
! casrn:    68-76-8
! inchikey: PXSOHRWMIRDKMP-UHFFFAOYSA-N
Hvpx______68_76_8 =  5.1E-11                                  ! [atm] type: Q, ref: 3088

! species:  triallyl cyanurate
! formula:  C_{12}H_{15}N_3O_3
! trivial:  
! casrn:    101-37-1
! inchikey: BJELTSYBAHKXRW-UHFFFAOYSA-N
Hvpx_____101_37_1 =  2.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_37_1 =  3.0E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_37_1 =  2.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_37_1 =  1.3E-05                                  ! [atm] type: Q, ref: 2995

! species:  entecavir
! formula:  C_{12}H_{15}N_5O_3
! trivial:  
! casrn:    142217-69-4
! inchikey: QDGZDCVAUDNJFG-FXQIFTODSA-N
Hvpx__142217_69_4 =  8.9E-17                                  ! [atm] type: Q, ref: 3088

! species:  metaxalone
! formula:  C_{12}H_{15}NO_3
! trivial:  
! casrn:    1665-48-1
! inchikey: IMWZZHHPURKASS-UHFFFAOYSA-N
Hvpx____1665_48_1 =  1.5E-05                                  ! [atm] type: Q, ref: 3088

! species:  phendimetrazine
! formula:  C_{12}H_{17}NO
! trivial:  
! casrn:    634-03-7
! inchikey: MFOCDFTXLCYLKU-UHFFFAOYSA-N
Hvpx_____634_03_7 =  1.5E-03                                  ! [atm] type: Q, ref: 3088

! species:  hexazinone
! formula:  C_{12}H_{20}N_4O_2
! trivial:  
! casrn:    51235-04-2
! inchikey: CAWXEEYDBZRFPE-UHFFFAOYSA-N
Hvpx___51235_04_2 =  5.5E-03                                  ! [atm] type: M, ref: 2972
Hvpx___51235_04_2 =  1.3E-07                                  ! [atm] type: V, ref: 3088

! species:  picaridin
! formula:  C_{12}H_{23}NO_3
! trivial:  
! casrn:    119515-38-7
! inchikey: QLHULAHOXSSASE-UHFFFAOYSA-N
Hvpx__119515_38_7 =  1.7E-06                                  ! [atm] type: Q, ref: 3088

! species:  lenacil
! formula:  C_{13}H_{18}N_2O_2
! trivial:  
! casrn:    2164-08-1
! inchikey: ZTMKADLOSYKWCA-UHFFFAOYSA-N
Hvpx____2164_08_1 =  4.3E-06                                  ! [atm] type: V, ref: 3586
Hvpx____2164_08_1 =  1.5E-05                                  ! [atm] type: Q, ref: 3586
Hvpx____2164_08_1 =  7.1E-08                                  ! [atm] type: ?, ref: 3549

! species:  pyrinuron
! formula:  C_{13}H_{12}N_4O_3
! trivial:  pyriminil
! casrn:    53558-25-1
! inchikey: CLKZWXHKFXZIMA-UHFFFAOYSA-N
Hvpx___53558_25_1 =  1.0E-11                                  ! [atm] type: Q, ref: 3088

! species:  melatonin
! formula:  C_{13}H_{16}N_2O_2
! trivial:  
! casrn:    73-31-4
! inchikey: DRLFMBDRBRZALE-UHFFFAOYSA-N
Hvpx______73_31_4 =  1.4E-09                                  ! [atm] type: Q, ref: 3088

! species:  dibenz[$b,f$]][1,4]oxazepine
! formula:  C_{13}H_9NO
! trivial:  
! casrn:    257-07-8
! inchikey: NPUACKRELIJTFM-UHFFFAOYSA-N
Hvpx_____257_07_8 =  2.3E+02                                  ! [atm] type: Q, ref: 3088

! species:  oxadixyl
! formula:  C_{14}H_{18}N_2O_4
! trivial:  
! casrn:    77732-09-3
! inchikey: UWVQIROCRJWDKL-UHFFFAOYSA-N
Hvpx___77732_09_3 =  2.7E-07                                  ! [atm] type: ?, ref: 3766

! species:  benomyl
! formula:  C_{14}H_{18}N_4O_3
! trivial:  
! casrn:    17804-35-2
! inchikey: RIOXQFHNBCKOKP-UHFFFAOYSA-N
Hvpx___17804_35_2 =  1.1E-06                                  ! [atm] type: V, ref: 2614
Hvpx___17804_35_2 =  1.8E-06                                  ! [atm] type: Q, ref: 3730
Hvpx___17804_35_2 =  3.1E-06                                  ! [atm] type: Q, ref: 3586
Hvpx___17804_35_2 =  2.7E-07                                  ! [atm] type: ?, ref: 3586

! species:  trimethoprim
! formula:  C_{14}H_{18}N_4O_3
! trivial:  
! casrn:    738-70-5
! inchikey: IEDVJHCEMCRBQM-UHFFFAOYSA-N
Hvpx_____738_70_5 =  1.3E-09                                  ! [atm] type: Q, ref: 3088

! species:  ethoxyquin
! formula:  C_{14}H_{19}NO
! trivial:  
! casrn:    91-53-2
! inchikey: DECIPOUIJURFOJ-UHFFFAOYSA-N
Hvpx______91_53_2 =  6.8E-02                                  ! [atm] type: ?, ref: 3766

! species:  famciclovir
! formula:  C_{14}H_{19}N_5O_4
! trivial:  
! casrn:    104227-87-4
! inchikey: GGXKWVWZWMLJEH-UHFFFAOYSA-N
Hvpx__104227_87_4 =  5.2E-09                                  ! [atm] type: Q, ref: 3088

! species:  furmecyclox
! formula:  C_{14}H_{21}NO_3
! trivial:  
! casrn:    60568-05-0
! inchikey: QTDRLOKFLJJHTG-UHFFFAOYSA-N
Hvpx___60568_05_0 =  3.8E-03                                  ! [atm] type: ?, ref: 3087

! species:  oxcarbazepine
! formula:  C_{15}H_{12}N_2O_2
! trivial:  
! casrn:    28721-07-5
! inchikey: CTRLABGOLIVAIY-UHFFFAOYSA-N
Hvpx___28721_07_5 =  3.8E-08                                  ! [atm] type: Q, ref: 3088

! species:  phenytoin
! formula:  C_{15}H_{12}N_2O_2
! trivial:  
! casrn:    57-41-0
! inchikey: CXOFVDLJLONNDW-UHFFFAOYSA-N
Hvpx______57_41_0 =  5.6E-07                                  ! [atm] type: Q, ref: 3088

! species:  carbamazepine
! formula:  C_{15}H_{12}N_2O
! trivial:  
! casrn:    298-46-4
! inchikey: FFGPTBGBLSHEPO-UHFFFAOYSA-N
Hvpx_____298_46_4 =  6.1E-06                                  ! [atm] type: Q, ref: 3088

! species:  propylthiouracil
! formula:  C_{15}H_{12}N_2O
! trivial:  
! casrn:    51-52-5
! inchikey: KNAHARQHSZJURB-UHFFFAOYSA-N
Hvpx______51_52_5 =  6.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  ancymidol
! formula:  C_{15}H_{16}N_2O_2
! trivial:  
! casrn:    12771-68-5
! inchikey: HUTDUHSNJYTCAR-UHFFFAOYSA-N
Hvpx___12771_68_5 =  6.0E-07                                  ! [atm] type: Q, ref: 3730
Hvpx___12771_68_5 =  3.7E-07                                  ! [atm] type: Q, ref: 3586
Hvpx___12771_68_5 =  1.2E-07                                  ! [atm] type: Q, ref: 2521
Hvpx___12771_68_5 =  8.6E-07                                  ! [atm] type: ?, ref: 3586

! species:  imazethapyr
! formula:  C_{15}H_{19}N_3O_3
! trivial:  
! casrn:    81335-77-5
! inchikey: XVOKUMIPKHGGTN-UHFFFAOYSA-N
Hvpx___81335_77_5 =  5.5E-12                                  ! [atm] type: Q, ref: 3088

! species:  imazamox
! formula:  C_{15}H_{19}N_3O_4
! trivial:  
! casrn:    114311-32-9
! inchikey: NUPJIGQFXCQJBK-UHFFFAOYSA-N
Hvpx__114311_32_9 =  5.1E-14                                  ! [atm] type: Q, ref: 3088
Hvpx__114311_32_9 =  2.7E-12                                  ! [atm] type: ?, ref: 3549

! species:  cycloheximide
! formula:  C_{15}H_{23}NO_4
! trivial:  
! casrn:    66-81-9
! inchikey: YPHMISFOHDHNIV-FSZOTQKASA-N
Hvpx______66_81_9 =  1.9E-10                                  ! [atm] type: Q, ref: 3088

! species:  oxymatrine
! formula:  C_{15}H_{24}N_2O_2
! trivial:  
! casrn:    16837-52-8
! inchikey: XVPBINOPNYFXID-LHDUFFHYSA-N
Hvpx___16837_52_8 =  5.5E-14                                  ! [atm] type: Q, ref: 3088

! species:  triapenthenol
! formula:  C_{15}H_{25}N_3O
! trivial:  
! casrn:    76608-88-3
! inchikey: CNFMJLVJDNGPHR-UKTHLTGXSA-N
Hvpx___76608_88_3 =  1.4E-05                                  ! [atm] type: ?, ref: 3766

! species:  mebendazole
! formula:  C_{16}H_{13}N_3O_3
! trivial:  
! casrn:    31431-39-7
! inchikey: OPXLLQIJSORQAM-UHFFFAOYSA-N
Hvpx___31431_39_7 =  3.0E-11                                  ! [atm] type: Q, ref: 3088

! species:  imazamethabenz-methyl
! formula:  C_{16}H_{20}N_2O_3
! trivial:  
! casrn:    81405-85-8
! inchikey: FFCCBBNQPIMUJI-UHFFFAOYSA-N
Hvpx___81405_85_8 =  2.1E-07                                  ! [atm] type: V, ref: 3088

! species:  nifedipine
! formula:  C_{17}H_{18}N_2O_6
! trivial:  
! casrn:    21829-25-4
! inchikey: HYIMSNHJOBLJNT-UHFFFAOYSA-N
Hvpx___21829_25_4 =  4.0E-09                                  ! [atm] type: Q, ref: 3088

! species:  oxymorphone
! formula:  C_{17}H_{19}NO_4
! trivial:  
! casrn:    76-41-5
! inchikey: UQCNKQCJZOAFTQ-UHFFFAOYSA-N
Hvpx______76_41_5 =  2.3E-14                                  ! [atm] type: Q, ref: 3088

! species:  desomorphine
! formula:  C_{17}H_{21}NO_2
! trivial:  
! casrn:    427-00-9
! inchikey: LNNWVNGFPYWNQE-UHFFFAOYSA-N
Hvpx_____427_00_9 =  2.3E-07                                  ! [atm] type: Q, ref: 3088

! species:  cocaine
! formula:  C_{17}H_{21}NO_4
! trivial:  
! casrn:    50-36-2
! inchikey: ZPUCINDJVBIVPJ-PFSRBDOWSA-N
Hvpx______50_36_2 =  2.3E-06                                  ! [atm] type: V, ref: 3586
Hvpx______50_36_2 =  2.3E-06                                  ! [atm] type: V, ref: 3088
Hvpx______50_36_2 =  6.9E-06                                  ! [atm] type: Q, ref: 3586

! species:  N-(2-ethylhexyl)-5-norbornene-2,3-dicarboximide
! formula:  C_{17}H_{25}NO_2
! trivial:  
! casrn:    113-48-4
! inchikey: WLLGXSLBOPFWQV-UHFFFAOYSA-N
Hvpx_____113_48_4 =  1.5E-02                                  ! [atm] type: Q, ref: 3088

! species:  imazaquin
! formula:  C_{17}H_{17}N_3O_3
! trivial:  
! casrn:    81335-37-7
! inchikey: CABMTIJINOIHOD-UHFFFAOYSA-N
Hvpx___81335_37_7 =  2.0E-12                                  ! [atm] type: ?, ref: 3549

! species:  ($E$)-pyriminobac-methyl
! formula:  C_{17}H_{19}N_3O_6
! trivial:  
! casrn:    147411-69-6
! inchikey: USSIUIGPBLPCDF-KEBDBYFISA-N
Hvpx__147411_69_6 =  7.4E-04                                  ! [atm] type: ?, ref: 3766

! species:  ($Z$)-pyriminobac-methyl
! formula:  C_{17}H_{19}N_3O_6
! trivial:  
! casrn:    147411-70-9
! inchikey: USSIUIGPBLPCDF-JMIUGGIZSA-N
Hvpx__147411_70_9 =  2.8E-05                                  ! [atm] type: ?, ref: 3766

! species:  imiprothrin
! formula:  C_{17}H_{22}N_2O_4
! trivial:  
! casrn:    72963-72-5
! inchikey: VPRAQYXPZIFIOH-UHFFFAOYSA-N
Hvpx___72963_72_5 =  3.3E-06                                  ! [atm] type: V, ref: 3586
Hvpx___72963_72_5 =  7.9E-05                                  ! [atm] type: Q, ref: 3586

! species:  iprovalicarb
! formula:  C_{18}H_{28}N_2O_3
! trivial:  
! casrn:    140923-17-7
! inchikey: NWUWYYSKZYIQAE-LBAUFKAWSA-N
Hvpx__140923_17_7 =  7.6E-07                                  ! [atm] type: ?, ref: 3549

! species:  quinophthalone
! formula:  C_{18}H_{11}NO_2
! trivial:  
! casrn:    8003-22-3
! inchikey: IZMJMCDDWKSTTK-UHFFFAOYSA-N
Hvpx____8003_22_3 =  3.4E-09                                  ! [atm] type: Q, ref: 3088

! species:  pefurazoate
! formula:  C_{18}H_{23}N_3O_4
! trivial:  
! casrn:    101903-30-4
! inchikey: WBTYBAGIHOISOQ-UHFFFAOYSA-N
Hvpx__101903_30_4 =  3.0E-04                                  ! [atm] type: ?, ref: 3766

! species:  tetramethrin
! formula:  C_{19}H_{25}NO_4
! trivial:  
! casrn:    7696-12-0
! inchikey: CXBMCYHAMVGWJQ-UHFFFAOYSA-N
Hvpx____7696_12_0 =  9.4E-02                                  ! [atm] type: V, ref: 3088

! species:  isoxaben
! formula:  C_{19}H_{25}NO_4
! trivial:  
! casrn:    82558-50-7
! inchikey: PMHURSZHKKJGBM-UHFFFAOYSA-N
Hvpx___82558_50_7 =  7.0E-05                                  ! [atm] type: V, ref: 3586
Hvpx___82558_50_7 =  7.0E-05                                  ! [atm] type: X, ref: macbean2012
Hvpx___82558_50_7 =  1.0E-04                                  ! [atm] type: Q, ref: 3586
Hvpx___82558_50_7 =  1.1E-04                                  ! [atm] type: ?, ref: 3549

! species:  alfuzosin
! formula:  C_{19}H_{27}N_5O_4
! trivial:  
! casrn:    81403-80-7
! inchikey: WNMJYKCGWZFFKR-UHFFFAOYSA-N
Hvpx___81403_80_7 =  5.2E-15                                  ! [atm] type: Q, ref: 3088

! species:  2,6-dimethyl-4-tridecylmorpholine
! formula:  C_{19}H_{39}NO
! trivial:  tridemorph
! casrn:    24602-86-6
! inchikey: YTOPFCCWCSOHFV-UHFFFAOYSA-N
Hvpx___24602_86_6 =  9.4E+00                                  ! [atm] type: ?, ref: 3766

! species:  pyriproxyfen
! formula:  C_{20}H_{19}NO_3
! trivial:  
! casrn:    95737-68-1
! inchikey: NHDHVHZZCFYRSB-UHFFFAOYSA-N
Hvpx___95737_68_1 =  3.5E-05                                  ! [atm] type: Q, ref: 3088
Hvpx___95737_68_1 =  4.0E-02                                  ! [atm] type: ?, ref: 3549

! species:  papaverine
! formula:  C_{20}H_{21}NO_4
! trivial:  
! casrn:    58-74-2
! inchikey: XQYZDYMELSJDRZ-UHFFFAOYSA-N
Hvpx______58_74_2 =  4.2E-08                                  ! [atm] type: Q, ref: 3088

! species:  fenazaquin
! formula:  C_{20}H_{22}N_2O
! trivial:  
! casrn:    120928-09-8
! inchikey: DMYHGDXADUDKCQ-UHFFFAOYSA-N
Hvpx__120928_09_8 =  2.6E-03                                  ! [atm] type: V, ref: 3586
Hvpx__120928_09_8 =  5.5E-03                                  ! [atm] type: V, ref: 3088
Hvpx__120928_09_8 =  1.2E-02                                  ! [atm] type: Q, ref: 3586
Hvpx__120928_09_8 =  3.1E-02                                  ! [atm] type: ?, ref: 3549

! species:  bitertanol
! formula:  C_{20}H_{23}N_3O_2
! trivial:  
! casrn:    55179-31-2
! inchikey: VGPIBGGRCVEHQZ-UHFFFAOYSA-N
Hvpx___55179_31_2 =  4.6E-05                                  ! [atm] type: V, ref: 2614

! species:  bitertanol diastereoisomer a
! formula:  C_{20}H_{23}N_3O_2
! trivial:  
! casrn:    70585-36-3
! inchikey: VGPIBGGRCVEHQZ-OALUTQOASA-N
Hvpx___70585_36_3 =  1.7E-07                                  ! [atm] type: V, ref: 2614

! species:  bitertanol diastereoisomer b
! formula:  C_{20}H_{23}N_3O_2
! trivial:  
! casrn:    70585-38-5
! inchikey: VGPIBGGRCVEHQZ-RBUKOAKNSA-N
Hvpx___70585_38_5 =  3.6E-07                                  ! [atm] type: V, ref: 2614

! species:  naltrexone
! formula:  C_{20}H_{23}NO_4
! trivial:  
! casrn:    16590-41-3
! inchikey: DQCKKXVULJGBQN-UHFFFAOYSA-N
Hvpx___16590_41_3 =  2.3E-14                                  ! [atm] type: Q, ref: 3088

! species:  $D$-lysergic acid N,N-diethylamide
! formula:  C_{20}H_{25}N_3O
! trivial:  LSD
! casrn:    50-37-3
! inchikey: VAYOSLLFUXYJDT-UHFFFAOYSA-N
Hvpx______50_37_3 =  8.3E-12                                  ! [atm] type: Q, ref: 3088

! species:  ibogaine
! formula:  C_{20}H_{26}N_2O
! trivial:  
! casrn:    83-74-9
! inchikey: HSIBGVUMFOSJPD-UHFFFAOYSA-N
Hvpx______83_74_9 =  6.6E-07                                  ! [atm] type: Q, ref: 3088

! species:  fenpropimorph
! formula:  C_{20}H_{33}NO
! trivial:  
! casrn:    67564-91-4
! inchikey: RYAUSSKQMZRMAI-ALOPSCKCSA-N
Hvpx___67564_91_4 =  8.8E-02                                  ! [atm] type: V, ref: 2614
Hvpx___67564_91_4 =  8.9E+00                                  ! [atm] type: X, ref: barcelo97
Hvpx___67564_91_4 =  6.9E+00                                  ! [atm] type: Q, ref: 3729
Hvpx___67564_91_4 =  1.5E+00                                  ! [atm] type: ?, ref: 3549

! species:  strychnine
! formula:  C_{21}H_{22}N_2O_2
! trivial:  
! casrn:    57-24-9
! inchikey: QMGVPVSNSZLJIA-UHFFFAOYSA-N
Hvpx______57_24_9 =  3.3E-09                                  ! [atm] type: Q, ref: 3088

! species:  nalmefene
! formula:  C_{21}H_{25}NO_3
! trivial:  
! casrn:    55096-26-9
! inchikey: WJBLNOPPDWQMCH-UHFFFAOYSA-N
Hvpx___55096_26_9 =  1.0E-11                                  ! [atm] type: Q, ref: 3088

! species:  benztropine
! formula:  C_{21}H_{25}NO
! trivial:  
! casrn:    86-13-5
! inchikey: GIJXKZJWITVLHI-UHFFFAOYSA-N
Hvpx______86_13_5 =  1.2E-04                                  ! [atm] type: Q, ref: 3088

! species:  stanozolol
! formula:  C_{21}H_{32}N_2O
! trivial:  
! casrn:    10418-03-8
! inchikey: LKAJKIOFIWVMDJ-KIWJEFSTSA-N
Hvpx___10418_03_8 =  6.1E-04                                  ! [atm] type: Q, ref: 3088

! species:  spirotetramat
! formula:  C_{21}H_{27}NO_5
! trivial:  
! casrn:    203313-25-1
! inchikey: CLSVJBIHYWPGQY-GGYDESQDSA-N
Hvpx__203313_25_1 =  3.8E-08                                  ! [atm] type: ?, ref: 3549
Hvpx__203313_25_1 =  3.4E-08                                  ! [atm] type: ?, ref: 3549
Hvpx__203313_25_1 =  6.0E-08                                  ! [atm] type: ?, ref: 3549

! species:  diacetylmorphine
! formula:  C_{21}H_{23}NO_5
! trivial:  heroin
! casrn:    561-27-3
! inchikey: GVGLGOZIDCSQPN-PVHGPHFFSA-N
Hvpx_____561_27_3 =  3.4E-08                                  ! [atm] type: V, ref: 3586
Hvpx_____561_27_3 =  2.0E-06                                  ! [atm] type: Q, ref: 3586

! species:  pyrametostrobin
! formula:  C_{21}H_{23}N_3O_4
! trivial:  
! casrn:    915410-70-7
! inchikey: DWTVBEZBWMDXIY-UHFFFAOYSA-N
Hvpx__915410_70_7 =  2.5E-05                                  ! [atm] type: ?, ref: 3766

! species:  azoxystrobin
! formula:  C_{22}H_{17}N_3O_5
! trivial:  
! casrn:    131860-33-8
! inchikey: WFDXOXNFNRHQEC-GHRIWEEISA-N
Hvpx__131860_33_8 =  4.0E-09                                  ! [atm] type: V, ref: 3088
Hvpx__131860_33_8 =  4.0E-09                                  ! [atm] type: ?, ref: 3549

! species:  famoxadone
! formula:  C_{22}H_{18}N_2O_4
! trivial:  
! casrn:    131807-57-3
! inchikey: PCCSBWNGDMYFCW-UHFFFAOYSA-N
Hvpx__131807_57_3 =  2.5E-03                                  ! [atm] type: V, ref: 3088
Hvpx__131807_57_3 =  2.5E-03                                  ! [atm] type: ?, ref: 3549

! species:  tadalafil
! formula:  C_{22}H_{19}N_3O_4
! trivial:  
! casrn:    171596-29-5
! inchikey: WOXKDUGGOYFFRN-IIBYNOLFSA-N
Hvpx__171596_29_5 =  2.8E-13                                  ! [atm] type: Q, ref: 3088

! species:  bisacodyl
! formula:  C_{22}H_{19}NO_4
! trivial:  
! casrn:    603-50-9
! inchikey: KHOITXIGCFIULA-UHFFFAOYSA-N
Hvpx_____603_50_9 =  4.0E-07                                  ! [atm] type: Q, ref: 3088

! species:  fentanyl
! formula:  C_{22}H_{28}N_2O
! trivial:  
! casrn:    437-38-7
! inchikey: PJMPHNIQZUBGLI-UHFFFAOYSA-N
Hvpx_____437_38_7 =  5.1E-07                                  ! [atm] type: Q, ref: 3088

! species:  4-(triphenylmethyl)morpholine
! formula:  C_{23}H_{23}NO
! trivial:  trifenmorph
! casrn:    1420-06-0
! inchikey: ZJMLMBICUVVJDX-UHFFFAOYSA-N
Hvpx____1420_06_0 =  7.2E-06                                  ! [atm] type: Q, ref: 3088
Hvpx____1420_06_0 =  1.7E-01                                  ! [atm] type: ?, ref: 3087

! species:  brucine
! formula:  C_{23}H_{26}N_2O_4
! trivial:  
! casrn:    357-57-3
! inchikey: RRKTZKIUPZVBMF-UHFFFAOYSA-N
Hvpx_____357_57_3 =  1.2E-11                                  ! [atm] type: Q, ref: 3088

! species:  mycophenolate mofetil
! formula:  C_{23}H_{31}NO_7
! trivial:  
! casrn:    128794-94-5
! inchikey: RTGDFNSFWBGLEC-SYZQJQIISA-N
Hvpx__128794_94_5 =  3.0E-10                                  ! [atm] type: Q, ref: 3088

! species:  pinoxaden
! formula:  C_{23}H_{32}N_2O_4
! trivial:  
! casrn:    243973-20-8
! inchikey: MGOHCFMYLBAPRN-UHFFFAOYSA-N
Hvpx__243973_20_8 =  5.0E-07                                  ! [atm] type: V, ref: 3088
Hvpx__243973_20_8 =  5.0E-07                                  ! [atm] type: ?, ref: 3549

! species:  fenpyroximate
! formula:  C_{24}H_{27}N_3O_4
! trivial:  
! casrn:    134098-61-6
! inchikey: YYJNOYZRYGDPNH-MFKUBSTISA-N
Hvpx__134098_61_6 =  1.2E-01                                  ! [atm] type: V, ref: 3586
Hvpx__134098_61_6 =  7.2E-02                                  ! [atm] type: X, ref: macbean2012
Hvpx__134098_61_6 =  9.4E-06                                  ! [atm] type: Q, ref: 3586

! species:  valsartan
! formula:  C_{24}H_{29}N_5O_3
! trivial:  
! casrn:    137862-53-4
! inchikey: ACWBQPMHZXGDFX-QFIPXVFZSA-N
Hvpx__137862_53_4 =  1.7E-13                                  ! [atm] type: Q, ref: 3088

! species:  donepezil
! formula:  C_{24}H_{29}NO_3
! trivial:  
! casrn:    120014-06-4
! inchikey: ADEBPBSSDYVVLD-UHFFFAOYSA-N
Hvpx__120014_06_4 =  6.6E-08                                  ! [atm] type: Q, ref: 3088

! species:  chromafenozide
! formula:  C_{24}H_{30}N_2O_3
! trivial:  
! casrn:    143807-66-3
! inchikey: HPNSNYBUADCFDR-UHFFFAOYSA-N
Hvpx__143807_66_3 =  1.1E-06                                  ! [atm] type: ?, ref: 3549
Hvpx__143807_66_3 =  8.8E-07                                  ! [atm] type: ?, ref: 3549
Hvpx__143807_66_3 =  9.7E-07                                  ! [atm] type: ?, ref: 3549

! species:  cyenopyrafen
! formula:  C_{24}H_{31}N_3O_2
! trivial:  
! casrn:    560121-52-0
! inchikey: APJLTUBHYCOZJI-VZCXRCSSSA-N
Hvpx__560121_52_0 =  3.4E-04                                  ! [atm] type: ?, ref: 3766

! species:  2-[4-[4-(2-benzoxazolyl)styryl]phenyl]-5-methylbenzoxazole
! formula:  C_{29}H_{20}N_2O_2
! trivial:  
! casrn:    5242-49-9
! inchikey: SOTPOQQKAUOHRO-BQYQJAHWSA-N
Hvpx____5242_49_9 =  7.3E-10                                  ! [atm] type: Q, ref: 2995
Hvpx____5242_49_9 =  8.7E-08                                  ! [atm] type: Q, ref: 2995
Hvpx____5242_49_9 =  4.4E-06                                  ! [atm] type: Q, ref: 2995
Hvpx____5242_49_9 =  5.8E-09                                  ! [atm] type: Q, ref: 2995

! species:  2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
! formula:  C_{30}H_{29}N_3O
! trivial:  
! casrn:    70321-86-7
! inchikey: OLFNXLXEGXRUOI-UHFFFAOYSA-N
Hvpx___70321_86_7 =  7.6E-11                                  ! [atm] type: Q, ref: 2995
Hvpx___70321_86_7 =  9.4E-07                                  ! [atm] type: Q, ref: 2995
Hvpx___70321_86_7 =  3.9E-08                                  ! [atm] type: Q, ref: 2995
Hvpx___70321_86_7 =  6.2E-08                                  ! [atm] type: Q, ref: 2995

! species:  fenpicoxamid
! formula:  C_{31}H_{38}N_2O_{11}
! trivial:  
! casrn:    517875-34-2
! inchikey: QGTOTYJSCYHYFK-RBODFLQRSA-N
Hvpx__517875_34_2 =  1.3E-03                                  ! [atm] type: ?, ref: 3549

! species:  norbormide
! formula:  C_{33}H_{25}N_3O_3
! trivial:  
! casrn:    991-42-4
! inchikey: DNTHHIVFNQZZRD-UHFFFAOYSA-N
Hvpx_____991_42_4 =  1.5E-18                                  ! [atm] type: Q, ref: 3088

! species:  reserpine
! formula:  C_{33}H_{40}N_2O_9
! trivial:  
! casrn:    50-55-5
! inchikey: QEVHRUUCFGRFIF-UHFFFAOYSA-N
Hvpx______50_55_5 =  3.0E-18                                  ! [atm] type: Q, ref: 3088

! species:  telmisartan
! formula:  C_{33}H_{30}N_4O_2
! trivial:  
! casrn:    144701-48-4
! inchikey: RMMXLENWKUUMAY-UHFFFAOYSA-N
Hvpx__144701_48_4 =  2.8E-15                                  ! [atm] type: Q, ref: 3627

! species:  telaprevir
! formula:  C_{36}H_{53}N_7O_6
! trivial:  
! casrn:    402957-28-2
! inchikey: BBAWEDCPNXPBQM-GDEBMMAJSA-N
Hvpx__402957_28_2 =  4.3E-26                                  ! [atm] type: Q, ref: 3088

! species:  lopinavir
! formula:  C_{37}H_{48}N_4O_5
! trivial:  
! casrn:    192725-17-0
! inchikey: KJHKTHWMRKYKJE-WRHCQWCJSA-N
Hvpx__192725_17_0 =  2.4E-23                                  ! [atm] type: Q, ref: 3088

! species:  atazanavir
! formula:  C_{38}H_{52}N_6O_7
! trivial:  
! casrn:    198904-31-3
! inchikey: AXRYRYVKAWYZBR-GASGPIRDSA-N
Hvpx__198904_31_3 =  2.0E-27                                  ! [atm] type: Q, ref: 3088

! species:  tylosin
! formula:  C_{46}H_{77}NO_{17}
! trivial:  
! casrn:    1401-69-0
! inchikey: WBPYTXDJUQJLPQ-SNQVITFCSA-N
Hvpx____1401_69_0 =  3.2E-33                                  ! [atm] type: Q, ref: 3088

! species:  nystatin
! formula:  C_{47}H_{75}NO_{17}
! trivial:  
! casrn:    1400-61-9
! inchikey: VQOXZBDYSJBXMA-QFHUWGMOSA-N
Hvpx____1400_61_9 =  1.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  1,3,5-tris(3,5-di-{\it tert}-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione
! formula:  C_{48}H_{69}N_3O_6
! trivial:  
! casrn:    27676-62-6
! inchikey: VNQNXQYZMPJLQX-UHFFFAOYSA-N
Hvpx___27676_62_6 =  8.9E-22                                  ! [atm] type: Q, ref: 2995
Hvpx___27676_62_6 =  4.1E-13                                  ! [atm] type: Q, ref: 2995
Hvpx___27676_62_6 =  1.6E-11                                  ! [atm] type: Q, ref: 2995
Hvpx___27676_62_6 =  6.6E-16                                  ! [atm] type: Q, ref: 2995

! species:  urea nitrate
! formula:  CH_5N_3O_4
! trivial:  
! casrn:    124-47-0
! inchikey: AYTGUZPQPXGYFS-UHFFFAOYSA-N
Hvpx_____124_47_0 =  9.4E-13                                  ! [atm] type: Q, ref: 3088

! species:  methyl nitrate
! formula:  CH_3ONO_2
! trivial:  
! casrn:    598-58-3
! inchikey: LRMHVVPPGGOAJQ-UHFFFAOYSA-N
Hvpx_____598_58_3 =  2.8E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____598_58_3 =  2.8E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____598_58_3 =  2.8E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____598_58_3 =  2.8E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____598_58_3 =  2.8E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 541
Hvpx_____598_58_3 =  2.1E+01                                  ! [atm] type: C, ref: 19
Hvpx_____598_58_3 =  3.5E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____598_58_3 =  4.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____598_58_3 =  5.3E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____598_58_3 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____598_58_3 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____598_58_3 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____598_58_3 =  8.7E+00                                  ! [atm] type: Q, ref: 2521

! species:  ethyl nitrate
! formula:  C_2H_5ONO_2
! trivial:  
! casrn:    625-58-1
! inchikey: IDNUEBSJWINEMI-UHFFFAOYSA-N
Hvpx_____625_58_1 =  3.5E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____625_58_1 =  3.5E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____625_58_1 =  3.5E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____625_58_1 =  3.5E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____625_58_1 =  3.5E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 541
Hvpx_____625_58_1 =  4.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_58_1 =  8.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_58_1 =  6.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____625_58_1 =  1.7E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____625_58_1 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____625_58_1 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____625_58_1 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____625_58_1 =  1.4E+01                                  ! [atm] type: Q, ref: 2521

! species:  1-propyl nitrate
! formula:  C_3H_7ONO_2
! trivial:  
! casrn:    627-13-4
! inchikey: JNTOKFNBDFMTIV-UHFFFAOYSA-N
Hvpx_____627_13_4 =  5.0E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____627_13_4 =  5.0E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____627_13_4 =  5.0E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____627_13_4 =  5.0E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____627_13_4 =  6.1E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____627_13_4 =  7.4E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1024
Hvpx_____627_13_4 =  4.9E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 541
Hvpx_____627_13_4 =  5.1E+01                                  ! [atm] type: V, ref: 1024
Hvpx_____627_13_4 =  1.5E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____627_13_4 =  7.9E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____627_13_4 =  5.5E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____627_13_4 =  1.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____627_13_4 =  8.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____627_13_4 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____627_13_4 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____627_13_4 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____627_13_4 =  2.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____627_13_4 =  1.0E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____627_13_4 =  7.0E+01                                  ! [atm] type: ?, ref: 3586

! species:  2-propyl nitrate
! formula:  C_3H_7ONO_2
! trivial:  isopropyl nitrate
! casrn:    1712-64-7
! inchikey: GAPFWGOSHOCNBM-UHFFFAOYSA-N
Hvpx____1712_64_7 =  7.0E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____1712_64_7 =  7.0E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____1712_64_7 =  7.0E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____1712_64_7 =  7.0E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx____1712_64_7 =  8.3E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx____1712_64_7 =  9.9E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1024
Hvpx____1712_64_7 =  7.0E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 541
Hvpx____1712_64_7 =  6.7E+01                                  ! [atm] type: V, ref: 1024
Hvpx____1712_64_7 =  1.5E+02                                  ! [atm] type: Q, ref: 3730
Hvpx____1712_64_7 =  2.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____1712_64_7 =  4.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx____1712_64_7 =  2.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx____1712_64_7 =  7.7E+02                                  ! [atm] type: Q, ref: 3409
Hvpx____1712_64_7 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx____1712_64_7 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx____1712_64_7 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____1712_64_7 =  3.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx____1712_64_7 =  1.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx____1712_64_7 =  8.9E+01                                  ! [atm] type: ?, ref: 3586

! species:  1-butyl nitrate
! formula:  C_4H_9ONO_2
! trivial:  
! casrn:    928-45-0
! inchikey: QQHZPQUHCAKSOL-UHFFFAOYSA-N
Hvpx_____928_45_0 =  5.5E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____928_45_0 =  5.5E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____928_45_0 =  5.5E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____928_45_0 =  5.5E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____928_45_0 =  6.2E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____928_45_0 =  8.7E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1024
Hvpx_____928_45_0 =  5.5E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 541
Hvpx_____928_45_0 =  5.4E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 533
Hvpx_____928_45_0 =  6.4E+01                                  ! [atm] type: V, ref: 1024
Hvpx_____928_45_0 =  1.1E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____928_45_0 =  5.5E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____928_45_0 =  6.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____928_45_0 =  2.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____928_45_0 =  1.8E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____928_45_0 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____928_45_0 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____928_45_0 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____928_45_0 =  3.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____928_45_0 =  1.3E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____928_45_0 =  8.5E+01                                  ! [atm] type: ?, ref: 3586

! species:  2-butyl nitrate
! formula:  C_4H_9ONO_2
! trivial:  
! casrn:    924-52-7
! inchikey: DYONNFFVDNILGI-UHFFFAOYSA-N
Hvpx_____924_52_7 =  8.5E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____924_52_7 =  8.5E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____924_52_7 =  8.5E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____924_52_7 =  8.5E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____924_52_7 =  8.6E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____924_52_7 =  1.2E+02                                  ! [atm] type: M, ref: 1024
Hvpx_____924_52_7 =  8.6E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 541
Hvpx_____924_52_7 =  8.6E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 533
Hvpx_____924_52_7 =  8.5E+01                                  ! [atm] type: V, ref: 1024
Hvpx_____924_52_7 =  6.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____924_52_7 =  3.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____924_52_7 =  9.9E+02                                  ! [atm] type: Q, ref: 3409

! species:  isobutyl nitrate
! formula:  C_4H_9ONO_2
! trivial:  
! casrn:    543-29-3
! inchikey: LNNXFUZKZLXPOF-UHFFFAOYSA-N
Hvpx_____543_29_3 =  7.9E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 541
Hvpx_____543_29_3 =  1.1E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____543_29_3 =  1.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____543_29_3 =  6.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____543_29_3 =  2.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____543_29_3 =  1.2E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____543_29_3 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____543_29_3 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____543_29_3 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____543_29_3 =  3.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____543_29_3 =  1.2E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____543_29_3 =  1.2E+02                                  ! [atm] type: ?, ref: 3586

! species:  1-pentyl nitrate
! formula:  C_5H_{11}ONO_2
! trivial:  amyl nitrate
! casrn:    1002-16-0
! inchikey: HSNWZBCBUUSSQD-UHFFFAOYSA-N
Hvpx____1002_16_0 =  8.2E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1024
Hvpx____1002_16_0 =  4.6E+01                                  ! [atm] type: M, ref: 541
Hvpx____1002_16_0 =  1.4E+02                                  ! [atm] type: V, ref: 1024
Hvpx____1002_16_0 =  8.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx____1002_16_0 =  4.3E+01                                  ! [atm] type: Q, ref: 3586
Hvpx____1002_16_0 =  7.9E+01                                  ! [atm] type: Q, ref: 3409
Hvpx____1002_16_0 =  4.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx____1002_16_0 =  1.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx____1002_16_0 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx____1002_16_0 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx____1002_16_0 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx____1002_16_0 =  4.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx____1002_16_0 =  1.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx____1002_16_0 =  9.2E+01                                  ! [atm] type: ?, ref: 3586

! species:  2-pentyl nitrate
! formula:  C_5H_{11}ONO_2
! trivial:  MCM:PEBNO3
! casrn:    21981-48-6
! inchikey: RWRBSYOTDDOXKC-UHFFFAOYSA-N
Hvpx___21981_48_6 =  1.5E+02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx___21981_48_6 =  1.5E+02 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1024
Hvpx___21981_48_6 =  1.5E+02 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 541
Hvpx___21981_48_6 =  1.1E+02                                  ! [atm] type: V, ref: 1024
Hvpx___21981_48_6 =  1.6E+02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx___21981_48_6 =  8.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___21981_48_6 =  1.1E+02                                  ! [atm] type: Q, ref: 3586
Hvpx___21981_48_6 =  6.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx___21981_48_6 =  5.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx___21981_48_6 =  1.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx___21981_48_6 =  5.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___21981_48_6 =  1.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx___21981_48_6 =  1.6E+02                                  ! [atm] type: ?, ref: 3586

! species:  3-pentyl nitrate
! formula:  C_5H_{13}ONO_2
! trivial:  
! casrn:    82944-59-0
! inchikey: WQZKKVJFBZPJSU-UHFFFAOYSA-N
Hvpx___82944_59_0 =  1.4E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1024
Hvpx___82944_59_0 =  1.1E+02                                  ! [atm] type: V, ref: 1024
Hvpx___82944_59_0 =  8.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___82944_59_0 =  1.1E+02                                  ! [atm] type: Q, ref: 3586
Hvpx___82944_59_0 =  6.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx___82944_59_0 =  5.2E+01                                  ! [atm] type: Q, ref: 3409
Hvpx___82944_59_0 =  1.5E+03                                  ! [atm] type: Q, ref: 3409
Hvpx___82944_59_0 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx___82944_59_0 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx___82944_59_0 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx___82944_59_0 =  5.9E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___82944_59_0 =  1.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx___82944_59_0 =  1.5E+02                                  ! [atm] type: ?, ref: 3586

! species:  3-methyl-1-butanol nitrate
! formula:  C_5H_{11}ONO_2
! trivial:  isoamyl nitrate
! casrn:    543-87-3
! inchikey: NTHGIYFSMNNHSC-UHFFFAOYSA-N
Hvpx_____543_87_3 =  1.1E+02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1024
Hvpx_____543_87_3 =  8.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____543_87_3 =  1.1E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____543_87_3 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____543_87_3 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____543_87_3 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____543_87_3 =  4.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____543_87_3 =  1.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____543_87_3 =  1.2E+02                                  ! [atm] type: ?, ref: 3586

! species:  pentaerythritol tetranitrate
! formula:  C_5H_8N_4O_{12}
! trivial:  
! casrn:    78-11-5
! inchikey: TZRXHJWUDPFEEY-UHFFFAOYSA-N
Hvpx______78_11_5 =  7.2E-05                                  ! [atm] type: V, ref: 3088
Hvpx______78_11_5 =  4.7E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_11_5 =  6.6E-07                                  ! [atm] type: Q, ref: 2995
Hvpx______78_11_5 =  4.9E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______78_11_5 =  6.9E-06                                  ! [atm] type: Q, ref: 2995
Hvpx______78_11_5 =  1.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______78_11_5 =  4.6E-01                                  ! [atm] type: Q, ref: 3579

! species:  1-hexyl nitrate
! formula:  C_6H_{13}ONO_2
! trivial:  
! casrn:    20633-11-8
! inchikey: AGDYNDJUZRMYRG-UHFFFAOYSA-N
Hvpx___20633_11_8 =  7.2E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1024
Hvpx___20633_11_8 =  1.5E+02                                  ! [atm] type: V, ref: 1024
Hvpx___20633_11_8 =  6.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___20633_11_8 =  3.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx___20633_11_8 =  9.5E+01                                  ! [atm] type: Q, ref: 3409
Hvpx___20633_11_8 =  5.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx___20633_11_8 =  2.3E+03                                  ! [atm] type: Q, ref: 3409
Hvpx___20633_11_8 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx___20633_11_8 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx___20633_11_8 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx___20633_11_8 =  5.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___20633_11_8 =  1.8E+01                                  ! [atm] type: Q, ref: 2530
Hvpx___20633_11_8 =  8.2E+01                                  ! [atm] type: ?, ref: 3586

! species:  2-nitrooxyethanol
! formula:  HOC_2H_4ONO_2
! trivial:  
! casrn:    16051-48-2
! inchikey: HTKIMWYSDZQQBP-UHFFFAOYSA-N
Hvpx___16051_48_2 =  1.4E-03                                  ! [atm] type: L, ref: 3500
Hvpx___16051_48_2 =  1.4E-03                                  ! [atm] type: L, ref: 3245
Hvpx___16051_48_2 =  1.4E-03                                  ! [atm] type: L, ref: 2626
Hvpx___16051_48_2 =  1.4E-03                                  ! [atm] type: L, ref: 1945
Hvpx___16051_48_2 =  1.4E-03 * EXP(  -8600.*(1./T-1./298.15)) ! [atm] type: M, ref: 548
Hvpx___16051_48_2 =  1.4E-03                                  ! [atm] type: M, ref: 541
Hvpx___16051_48_2 =  9.6E-03                                  ! [atm] type: Q, ref: 3730
Hvpx___16051_48_2 =  6.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___16051_48_2 =  1.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx___16051_48_2 =  9.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx___16051_48_2 =  7.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx___16051_48_2 =  1.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx___16051_48_2 =  2.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx___16051_48_2 =  5.5E-04                                  ! [atm] type: Q, ref: 2546
Hvpx___16051_48_2 =  3.2E-03                                  ! [atm] type: Q, ref: 2521
Hvpx___16051_48_2 =  6.4E-03                                  ! [atm] type: Q, ref: 2530
Hvpx___16051_48_2 =  1.4E-03                                  ! [atm] type: ?, ref: 3586

! species:  1-nitrooxy-2-propanol
! formula:  C_3H_7O_4N
! trivial:  
! casrn:    20266-65-3
! inchikey: OMDFJTSKBNDDRM-UHFFFAOYSA-N
Hvpx___20266_65_3 =  8.3E-03                                  ! [atm] type: L, ref: 3500
Hvpx___20266_65_3 =  8.3E-03                                  ! [atm] type: L, ref: 3245
Hvpx___20266_65_3 =  8.3E-03                                  ! [atm] type: L, ref: 2626
Hvpx___20266_65_3 =  8.3E-03                                  ! [atm] type: L, ref: 1945
Hvpx___20266_65_3 =  5.1E-03 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 548
Hvpx___20266_65_3 =  8.3E-03                                  ! [atm] type: M, ref: 541
Hvpx___20266_65_3 =  7.6E-03                                  ! [atm] type: M, ref: 541
Hvpx___20266_65_3 =  7.1E-03                                  ! [atm] type: Q, ref: 3730
Hvpx___20266_65_3 =  5.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___20266_65_3 =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx___20266_65_3 =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___20266_65_3 =  3.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx___20266_65_3 =  1.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx___20266_65_3 =  4.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx___20266_65_3 =  7.0E-04                                  ! [atm] type: Q, ref: 2546
Hvpx___20266_65_3 =  5.8E-03                                  ! [atm] type: Q, ref: 2521
Hvpx___20266_65_3 =  1.0E-02                                  ! [atm] type: Q, ref: 2530
Hvpx___20266_65_3 =  5.1E-03                                  ! [atm] type: ?, ref: 3586

! species:  2-nitrooxy-1-propanol
! formula:  C_3H_7O_4N
! trivial:  
! casrn:    20266-74-4
! inchikey: HGCMMKIIGJXXMW-UHFFFAOYSA-N
Hvpx___20266_74_4 =  7.6E-03                                  ! [atm] type: L, ref: 3500
Hvpx___20266_74_4 =  7.6E-03                                  ! [atm] type: L, ref: 3245
Hvpx___20266_74_4 =  7.6E-03                                  ! [atm] type: L, ref: 2626
Hvpx___20266_74_4 =  7.6E-03                                  ! [atm] type: L, ref: 1945
Hvpx___20266_74_4 =  1.2E-02 * EXP(  -8800.*(1./T-1./298.15)) ! [atm] type: M, ref: 548
Hvpx___20266_74_4 =  8.3E-03                                  ! [atm] type: M, ref: 541
Hvpx___20266_74_4 =  7.6E-03                                  ! [atm] type: M, ref: 541
Hvpx___20266_74_4 =  7.1E-03                                  ! [atm] type: Q, ref: 3730
Hvpx___20266_74_4 =  5.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___20266_74_4 =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx___20266_74_4 =  2.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___20266_74_4 =  3.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx___20266_74_4 =  1.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx___20266_74_4 =  5.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx___20266_74_4 =  7.0E-04                                  ! [atm] type: Q, ref: 2546
Hvpx___20266_74_4 =  6.3E-03                                  ! [atm] type: Q, ref: 2521
Hvpx___20266_74_4 =  8.0E-03                                  ! [atm] type: Q, ref: 2530
Hvpx___20266_74_4 =  1.2E-02                                  ! [atm] type: ?, ref: 3586

! species:  1-nitrooxy-2-butanol
! formula:  C_4H_9O_4N
! trivial:  
! casrn:    147794-11-4
! inchikey: KNUQGVIXAYDSOX-UHFFFAOYSA-N
Hvpx__147794_11_4 =  6.1E-03                                  ! [atm] type: M, ref: 1217
Hvpx__147794_11_4 =  9.5E-03 * EXP(  -9200.*(1./T-1./298.15)) ! [atm] type: M, ref: 548
Hvpx__147794_11_4 =  5.3E-03                                  ! [atm] type: Q, ref: 3730
Hvpx__147794_11_4 =  3.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx__147794_11_4 =  1.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx__147794_11_4 =  2.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx__147794_11_4 =  5.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx__147794_11_4 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx__147794_11_4 =  7.0E-03                                  ! [atm] type: Q, ref: 2546
Hvpx__147794_11_4 =  8.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx__147794_11_4 =  8.9E-03                                  ! [atm] type: Q, ref: 2521
Hvpx__147794_11_4 =  1.0E-02                                  ! [atm] type: Q, ref: 2530
Hvpx__147794_11_4 =  9.5E-03                                  ! [atm] type: ?, ref: 3586

! species:  2-nitrooxy-1-butanol
! formula:  C_4H_9O_4N
! trivial:  
! casrn:    147794-12-5
! inchikey: YXMNEYKMHSBVTD-UHFFFAOYSA-N
Hvpx__147794_12_5 =  6.2E-03                                  ! [atm] type: M, ref: 1217
Hvpx__147794_12_5 =  9.2E-03 * EXP(  -9600.*(1./T-1./298.15)) ! [atm] type: M, ref: 548
Hvpx__147794_12_5 =  5.3E-03                                  ! [atm] type: Q, ref: 3730
Hvpx__147794_12_5 =  3.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx__147794_12_5 =  1.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx__147794_12_5 =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx__147794_12_5 =  3.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx__147794_12_5 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx__147794_12_5 =  8.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx__147794_12_5 =  8.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx__147794_12_5 =  9.2E-03                                  ! [atm] type: Q, ref: 2521
Hvpx__147794_12_5 =  1.0E-02                                  ! [atm] type: Q, ref: 2530
Hvpx__147794_12_5 =  9.2E-03                                  ! [atm] type: ?, ref: 3586

! species:  2-nitrooxy-3-butanol
! formula:  C_4H_9O_4N
! trivial:  
! casrn:    147794-10-3
! inchikey: CGFCSKMZZXPWEY-UHFFFAOYSA-N
Hvpx__147794_10_3 =  5.5E-03 * EXP(  -9500.*(1./T-1./298.15)) ! [atm] type: M, ref: 548
Hvpx__147794_10_3 =  5.3E-03                                  ! [atm] type: Q, ref: 3730
Hvpx__147794_10_3 =  8.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx__147794_10_3 =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx__147794_10_3 =  2.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx__147794_10_3 =  5.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx__147794_10_3 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx__147794_10_3 =  7.0E-03                                  ! [atm] type: Q, ref: 2546
Hvpx__147794_10_3 =  8.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx__147794_10_3 =  1.0E-02                                  ! [atm] type: Q, ref: 2521
Hvpx__147794_10_3 =  7.3E-03                                  ! [atm] type: Q, ref: 2530
Hvpx__147794_10_3 =  5.5E-03                                  ! [atm] type: ?, ref: 3586

! species:  3-nitrooxy-1-butanol
! formula:  C_4H_9O_4N
! trivial:  
! casrn:    UNKNOWN
! inchikey: FOHXKGXDMSQVTH-UHFFFAOYSA-N
Hvpx_FOHXKGXDMSQVTH_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: M, ref: 1217
Hvpx_FOHXKGXDMSQVTH_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FOHXKGXDMSQVTH_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FOHXKGXDMSQVTH_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  4-nitrooxy-1-butanol
! formula:  C_4H_9O_4N
! trivial:  
! casrn:    22911-39-3
! inchikey: FBOGSWRRYABFKU-UHFFFAOYSA-N
Hvpx___22911_39_3 =  1.9E-03                                  ! [atm] type: M, ref: 1217
Hvpx___22911_39_3 =  2.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx___22911_39_3 =  7.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx___22911_39_3 =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  4-nitrooxy-2-butanol
! formula:  C_4H_9O_4N
! trivial:  3-hydroxy-1-nitrooxy-butane
! casrn:    141299-18-5
! inchikey: WUKDMTQXKGFHBU-UHFFFAOYSA-N
Hvpx__141299_18_5 =  4.1E-03                                  ! [atm] type: M, ref: 1217
Hvpx__141299_18_5 =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx__141299_18_5 =  8.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx__141299_18_5 =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  4-nitrooxy-1-pentanol
! formula:  C_5H_{11}O_4N
! trivial:  
! casrn:    UNKNOWN
! inchikey: SVIFKHUNGQLAEN-UHFFFAOYSA-N
Hvpx_SVIFKHUNGQLAEN_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: M, ref: 1217
Hvpx_SVIFKHUNGQLAEN_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SVIFKHUNGQLAEN_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SVIFKHUNGQLAEN_UHFFFAOYSA_N =  4.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  5-nitrooxy-1-pentanol
! formula:  C_5H_{11}O_4N
! trivial:  
! casrn:    UNKNOWN
! inchikey: DVOSRLSVEOCANS-UHFFFAOYSA-N
Hvpx_DVOSRLSVEOCANS_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: ?, ref: 3766

! species:  5-nitrooxy-2-pentanol
! formula:  C_5H_{11}O_4N
! trivial:  MCM:HO2C5NO3
! casrn:    UNKNOWN
! inchikey: RIQPKERROQFFJK-UHFFFAOYSA-N
Hvpx_RIQPKERROQFFJK_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: M, ref: 1217
Hvpx_RIQPKERROQFFJK_UHFFFAOYSA_N =  2.6E-02 * EXP(  -9900.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_RIQPKERROQFFJK_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RIQPKERROQFFJK_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RIQPKERROQFFJK_UHFFFAOYSA_N =  8.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  1-nitrooxy-2-propanone
! formula:  CH_3COCH_2ONO_2
! trivial:  nitrooxyacetone
! casrn:    6745-71-7
! inchikey: ISWXYJQANHQYSR-UHFFFAOYSA-N
Hvpx____6745_71_7 =  5.5E-02                                  ! [atm] type: L, ref: 3500
Hvpx____6745_71_7 =  5.5E-02                                  ! [atm] type: L, ref: 3245
Hvpx____6745_71_7 =  5.5E-02                                  ! [atm] type: L, ref: 2626
Hvpx____6745_71_7 =  5.5E-02                                  ! [atm] type: L, ref: 1945
Hvpx____6745_71_7 =  5.5E-02                                  ! [atm] type: M, ref: 541
Hvpx____6745_71_7 =  7.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____6745_71_7 =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx____6745_71_7 =  1.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____6745_71_7 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx____6745_71_7 =  1.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx____6745_71_7 =  7.0E-03                                  ! [atm] type: Q, ref: 2546
Hvpx____6745_71_7 =  4.5E-03                                  ! [atm] type: Q, ref: 2521

! species:  ISOP1N6CO
! formula:  C_5H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XXORYENTKCFFSM-UHFFFAOYSA-N
Hvpx_XXORYENTKCFFSM_UHFFFAOYSA_N =  2.6E-06 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C52COCONO2
! formula:  C_5H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QJXLMYNMVOSKND-UHFFFAOYSA-N
Hvpx_QJXLMYNMVOSKND_UHFFFAOYSA_N =  8.1E-03 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  ISOP1N23O4CO
! formula:  C_5H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WBVYILWVTRBTDJ-UHFFFAOYSA-N
Hvpx_WBVYILWVTRBTDJ_UHFFFAOYSA_N =  3.7E-04 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  ROO6R7ONO2
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: COKJDYWOSQONMU-UHFFFAOYSA-N
Hvpx_COKJDYWOSQONMU_UHFFFAOYSA_N =  7.3E-06 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  2-heptyl nitrate
! formula:  C_7H_{15}NO_3
! trivial:  C7H15ONO2
! casrn:    UNKNOWN
! inchikey: HHXLSUKHLTZWKR-UHFFFAOYSA-N
Hvpx_HHXLSUKHLTZWKR_UHFFFAOYSA_N =  2.4E+02 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C7OHONO2
! formula:  C_7H_{15}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MZJHMUSTUUJGSJ-UHFFFAOYSA-N
Hvpx_MZJHMUSTUUJGSJ_UHFFFAOYSA_N =  4.6E-02 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C622CONO2
! formula:  C_7H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DJCVHBPUJHAWIU-UHFFFAOYSA-N
Hvpx_DJCVHBPUJHAWIU_UHFFFAOYSA_N =  5.5E-04 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  2-octyl nitrate
! formula:  C_8H_{17}NO_3
! trivial:  C8H17ONO2
! casrn:    UNKNOWN
! inchikey: QCOKASLKYUXYJH-UHFFFAOYSA-N
Hvpx_QCOKASLKYUXYJH_UHFFFAOYSA_N =  8.0E-02 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C8OHONO2
! formula:  C_8H_{17}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UEQWMROPIQKFIM-UHFFFAOYSA-N
Hvpx_UEQWMROPIQKFIM_UHFFFAOYSA_N =  6.1E-02 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C824ONO2
! formula:  C_8H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YMYILPYDFNRVBZ-UHFFFAOYSA-N
Hvpx_YMYILPYDFNRVBZ_UHFFFAOYSA_N =  5.8E-08 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C819ONO2
! formula:  C_8H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: XLUWXWLWQTYVOF-UHFFFAOYSA-N
Hvpx_XLUWXWLWQTYVOF_UHFFFAOYSA_N =  1.4E-07 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C92ONO2
! formula:  C_9H_{15}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PNFDSIMYWKOAKE-UHFFFAOYSA-N
Hvpx_PNFDSIMYWKOAKE_UHFFFAOYSA_N =  1.2E-06 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  NORLIMONO2
! formula:  C_9H_{15}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: MUTWZANDXPDWFF-UHFFFAOYSA-N
Hvpx_MUTWZANDXPDWFF_UHFFFAOYSA_N =  1.5E-09 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C822CONO2
! formula:  C_9H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RVFLVBTUEWAABB-UHFFFAOYSA-N
Hvpx_RVFLVBTUEWAABB_UHFFFAOYSA_N =  8.8E-03 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C817CONO2
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LHFXXFGIVAQFTO-UHFFFAOYSA-N
Hvpx_LHFXXFGIVAQFTO_UHFFFAOYSA_N =  4.6E-06 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C9CONO2
! formula:  C_{10}H_{15}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FNVMVXZLPDKVAS-UHFFFAOYSA-N
Hvpx_FNVMVXZLPDKVAS_UHFFFAOYSA_N =  6.8E-03 * EXP( -20000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  LIMONO2
! formula:  C_{10}H_{15}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DEKWHDOXDJNWRD-UHFFFAOYSA-N
Hvpx_DEKWHDOXDJNWRD_UHFFFAOYSA_N =  1.4E-05 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  1,2-ethanediol dinitrate
! formula:  O_3NCH_2CH_2ONO_2
! trivial:  1,2-ethane dinitrate
! casrn:    628-96-6
! inchikey: UQXKXGWGFRWILX-UHFFFAOYSA-N
Hvpx_____628_96_6 =  8.6E-02                                  ! [atm] type: L, ref: 3500
Hvpx_____628_96_6 =  8.6E-02                                  ! [atm] type: L, ref: 3245
Hvpx_____628_96_6 =  8.6E-02                                  ! [atm] type: L, ref: 2626
Hvpx_____628_96_6 =  8.6E-02                                  ! [atm] type: L, ref: 1945
Hvpx_____628_96_6 =  7.0E-01                                  ! [atm] type: M, ref: 998
Hvpx_____628_96_6 =  8.6E-02                                  ! [atm] type: M, ref: 541
Hvpx_____628_96_6 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_96_6 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_96_6 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_96_6 =  6.6E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____628_96_6 =  1.1E+00                                  ! [atm] type: Q, ref: 2530

! species:  1,2-propanediol dinitrate
! formula:  C_3H_6(ONO_2)_2
! trivial:  1,2-propane dinitrate
! casrn:    6423-43-4
! inchikey: PSXCGTLGGVDWFU-UHFFFAOYSA-N
Hvpx____6423_43_4 =  3.2E-01                                  ! [atm] type: L, ref: 3500
Hvpx____6423_43_4 =  3.2E-01                                  ! [atm] type: L, ref: 3245
Hvpx____6423_43_4 =  3.2E-01                                  ! [atm] type: L, ref: 2626
Hvpx____6423_43_4 =  3.2E-01                                  ! [atm] type: L, ref: 1945
Hvpx____6423_43_4 =  1.7E+00                                  ! [atm] type: M, ref: 998
Hvpx____6423_43_4 =  3.2E-01                                  ! [atm] type: M, ref: 541
Hvpx____6423_43_4 =  5.2E-02                                  ! [atm] type: Q, ref: 3088
Hvpx____6423_43_4 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____6423_43_4 =  1.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____6423_43_4 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx____6423_43_4 =  2.0E-01                                  ! [atm] type: Q, ref: 2521

! species:  1,3-propanediol dinitrate
! formula:  C_3H_6N_2O_6
! trivial:  
! casrn:    3457-90-7
! inchikey: KOSAMXZBGUIISK-UHFFFAOYSA-N
Hvpx____3457_90_7 =  3.5E-01                                  ! [atm] type: L, ref: 3500
Hvpx____3457_90_7 =  3.5E-01                                  ! [atm] type: L, ref: 3245
Hvpx____3457_90_7 =  4.2E-01                                  ! [atm] type: M, ref: 998
Hvpx____3457_90_7 =  4.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____3457_90_7 =  1.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____3457_90_7 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx____3457_90_7 =  1.2E-01                                  ! [atm] type: Q, ref: 2521

! species:  1,2,3-propanetriol trinitrate
! formula:  C_3H_5N_3O_9
! trivial:  nitroglycerin
! casrn:    55-63-0
! inchikey: SNIOPGDIGTZGOP-UHFFFAOYSA-N
Hvpx______55_63_0 =  2.4E-03                                  ! [atm] type: V, ref: 3088
Hvpx______55_63_0 =  2.9E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______55_63_0 =  1.1E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______55_63_0 =  1.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______55_63_0 =  1.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______55_63_0 =  2.9E-03                                  ! [atm] type: Q, ref: 3579
Hvpx______55_63_0 =  1.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______55_63_0 =  5.4E-03                                  ! [atm] type: ?, ref: 2440

! species:  1,2-butanediol dinitrate
! formula:  C_4H_8N_2O_6
! trivial:  
! casrn:    20820-41-1
! inchikey: CTISQZXTUUHJNC-UHFFFAOYSA-N
Hvpx___20820_41_1 =  2.6E+00                                  ! [atm] type: M, ref: 998
Hvpx___20820_41_1 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx___20820_41_1 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx___20820_41_1 =  7.0E-02                                  ! [atm] type: Q, ref: 2546

! species:  1,3-butanediol dinitrate
! formula:  C_4H_8N_2O_6
! trivial:  
! casrn:    6423-44-5
! inchikey: DGFBULNMARLFTH-UHFFFAOYSA-N
Hvpx____6423_44_5 =  9.6E-01                                  ! [atm] type: M, ref: 998
Hvpx____6423_44_5 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____6423_44_5 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____6423_44_5 =  7.0E-02                                  ! [atm] type: Q, ref: 2546

! species:  1,4-butanediol dinitrate
! formula:  C_4H_8N_2O_6
! trivial:  
! casrn:    3457-91-8
! inchikey: QELUAJBXJAWSRC-UHFFFAOYSA-N
Hvpx____3457_91_8 =  3.5E-01                                  ! [atm] type: M, ref: 998
Hvpx____3457_91_8 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____3457_91_8 =  1.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____3457_91_8 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx____3457_91_8 =  2.0E-01                                  ! [atm] type: Q, ref: 2521

! species:  2,3-butanediol dinitrate
! formula:  C_4H_8N_2O_6
! trivial:  
! casrn:    6423-45-6
! inchikey: RVDDYBGRQLZMSB-UHFFFAOYSA-N
Hvpx____6423_45_6 =  4.5E+00                                  ! [atm] type: M, ref: 998
Hvpx____6423_45_6 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx____6423_45_6 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____6423_45_6 =  7.0E-02                                  ! [atm] type: Q, ref: 2546

! species:  1,2-pentanediol dinitrate
! formula:  C_5H_{10}N_2O_6
! trivial:  
! casrn:    89365-05-9
! inchikey: MZWHVGLDAWPHHW-UHFFFAOYSA-N
Hvpx___89365_05_9 =  4.1E+00                                  ! [atm] type: M, ref: 998

! species:  1,4-pentanediol dinitrate
! formula:  C_5H_{10}N_2O_6
! trivial:  
! casrn:    25385-63-1
! inchikey: IUTIKUKYGRINOD-UHFFFAOYSA-N
Hvpx___25385_63_1 =  1.4E+00                                  ! [atm] type: M, ref: 998

! species:  1,5-pentanediol dinitrate
! formula:  C_5H_{10}N_2O_6
! trivial:  
! casrn:    3457-92-9
! inchikey: MIYIEPHJPVBSEV-UHFFFAOYSA-N
Hvpx____3457_92_9 =  4.6E-01                                  ! [atm] type: M, ref: 998
Hvpx____3457_92_9 =  5.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____3457_92_9 =  2.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____3457_92_9 =  8.8E-02                                  ! [atm] type: Q, ref: 2546

! species:  (2R,4S)-2,4-pentanediol dinitrate
! formula:  C_5H_{10}N_2O_6
! trivial:  {\it cis}-2,4-pentanediol dinitrate
! casrn:    208252-05-5
! inchikey: UNKNOWN
Hvpx__208252_05_5 =  2.5E+00                                  ! [atm] type: M, ref: 998

! species:  (2R,4R)-2,4-pentanediol dinitrate
! formula:  C_5H_{10}N_2O_6
! trivial:  {\it trans}-2,4-pentanediol dinitrate
! casrn:    208252-04-4
! inchikey: UNKNOWN
Hvpx__208252_04_4 =  3.8E+00                                  ! [atm] type: M, ref: 998

! species:  1,2-hexanediol dinitrate
! formula:  C_6H_{12}N_2O_6
! trivial:  
! casrn:    110539-07-6
! inchikey: UJKJGCZXZPXTGS-UHFFFAOYSA-N
Hvpx__110539_07_6 =  5.7E+00                                  ! [atm] type: M, ref: 998

! species:  1,5-hexanediol dinitrate
! formula:  C_6H_{12}N_2O_6
! trivial:  
! casrn:    206443-83-6
! inchikey: PGDWEAOSOZNKFU-UHFFFAOYSA-N
Hvpx__206443_83_6 =  2.0E+00                                  ! [atm] type: M, ref: 998

! species:  1,6-hexanediol dinitrate
! formula:  C_6H_{12}N_2O_6
! trivial:  
! casrn:    3457-93-0
! inchikey: GCVAYIWGKFFWEU-UHFFFAOYSA-N
Hvpx____3457_93_0 =  3.7E-01                                  ! [atm] type: M, ref: 998

! species:  2,5-hexanediol dinitrate
! formula:  C_6H_{12}N_2O_6
! trivial:  
! casrn:    99115-63-6
! inchikey: ISSLCMSTXXUOEU-UHFFFAOYSA-N
Hvpx___99115_63_6 =  1.8E+00                                  ! [atm] type: M, ref: 998
Hvpx___99115_63_6 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx___99115_63_6 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx___99115_63_6 =  1.1E-01                                  ! [atm] type: Q, ref: 2546

! species:  (1R,2S)-1,2-cyclohexanediol dinitrate
! formula:  C_6H_{10}N_2O_6
! trivial:  {\it cis}-1,2-cyclohexanediol dinitrate
! casrn:    32342-28-2
! inchikey: UNKNOWN
Hvpx___32342_28_2 =  4.3E-01                                  ! [atm] type: M, ref: 998

! species:  (1R,2R)-1,2-cyclohexanediol dinitrate
! formula:  C_6H_{10}N_2O_6
! trivial:  {\it trans}-1,2-cyclohexanediol dinitrate
! casrn:    32342-29-3
! inchikey: UNKNOWN
Hvpx___32342_29_3 =  1.1E+00                                  ! [atm] type: M, ref: 998

! species:  (1R,3S)-1,3-cyclohexanediol dinitrate
! formula:  C_6H_{10}N_2O_6
! trivial:  {\it cis}-1,3-cyclohexanediol dinitrate
! casrn:    170994-36-2
! inchikey: UNKNOWN
Hvpx__170994_36_2 =  1.6E-01                                  ! [atm] type: M, ref: 998

! species:  (1R,3R)-1,3-cyclohexanediol dinitrate
! formula:  C_6H_{10}N_2O_6
! trivial:  {\it trans}-1,3-cyclohexanediol dinitrate
! casrn:    170994-41-9
! inchikey: UNKNOWN
Hvpx__170994_41_9 =  8.0E-01                                  ! [atm] type: M, ref: 998

! species:  1,7-heptanediol dinitrate
! formula:  C_7H_{14}N_2O_6
! trivial:  
! casrn:    3457-94-1
! inchikey: KIERETFMVSIXIJ-UHFFFAOYSA-N
Hvpx____3457_94_1 =  4.8E-01                                  ! [atm] type: M, ref: 998

! species:  (1R,2R)-1,2-cycloheptanediol dinitrate
! formula:  C_7H_{12}N_2O_6
! trivial:  {\it trans}-1,2-cycloheptanediol dinitrate
! casrn:    208252-06-6
! inchikey: UNKNOWN
Hvpx__208252_06_6 =  6.2E-01                                  ! [atm] type: M, ref: 998

! species:  1,2-octanediol dinitrate
! formula:  C_8H_{16}N_2O_6
! trivial:  
! casrn:    121222-48-8
! inchikey: RLNKMZWMCSTIEM-UHFFFAOYSA-N
Hvpx__121222_48_8 =  1.0E+01                                  ! [atm] type: M, ref: 998

! species:  1,8-octanediol dinitrate
! formula:  C_8H_{16}N_2O_6
! trivial:  
! casrn:    3457-95-2
! inchikey: BVIHOKFRPSZJEI-UHFFFAOYSA-N
Hvpx____3457_95_2 =  7.0E-01                                  ! [atm] type: M, ref: 998

! species:  1,2-decanediol dinitrate
! formula:  C_{10}H_{20}N_2O_6
! trivial:  
! casrn:    60123-40-2
! inchikey: KKNGVXOJDIUADE-UHFFFAOYSA-N
Hvpx___60123_40_2 =  2.8E+01                                  ! [atm] type: M, ref: 998

! species:  1,10-decanediol dinitrate
! formula:  C_{10}H_{20}N_2O_6
! trivial:  
! casrn:    3457-97-4
! inchikey: RHUZOYMELURURD-UHFFFAOYSA-N
Hvpx____3457_97_4 =  1.3E+00                                  ! [atm] type: M, ref: 998

! species:  diethylene glycol dinitrate
! formula:  C_4H_8N_2O_7
! trivial:  
! casrn:    693-21-0
! inchikey: LYAGTVMJGHTIDH-UHFFFAOYSA-N
Hvpx_____693_21_0 =  2.2E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____693_21_0 =  1.1E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____693_21_0 =  4.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____693_21_0 =  5.5E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____693_21_0 =  4.9E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____693_21_0 =  1.4E-01                                  ! [atm] type: Q, ref: 2530

! species:  ISOP1N2ONO2
! formula:  C_5H_8N_2O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: FQSKJUXVWIFNKX-UHFFFAOYSA-N
Hvpx_FQSKJUXVWIFNKX_UHFFFAOYSA_N =  3.5E-01 * EXP(  -9400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  EPXISOPNONO2
! formula:  C_5H_8N_2O_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: UAFKAIYDADHRMX-UHFFFAOYSA-N
Hvpx_UAFKAIYDADHRMX_UHFFFAOYSA_N =  1.0E-02 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  ISOP1N23O4ONO2
! formula:  C_5H_8N_2O_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: FSZUIXLMCRZJMS-UHFFFAOYSA-N
Hvpx_FSZUIXLMCRZJMS_UHFFFAOYSA_N =  1.2E-02 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  ISOP1N5ONO2
! formula:  C_5H_8N_2O_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: WRGRJJOKHABEJT-UHFFFAOYSA-N
Hvpx_WRGRJJOKHABEJT_UHFFFAOYSA_N =  9.4E-06 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  LIMAB15ONO22
! formula:  C_{10}H_{18}N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: UNHNJOVXNACOSQ-UHFFFAOYSA-N
Hvpx_UNHNJOVXNACOSQ_UHFFFAOYSA_N =  1.8E-08 * EXP( -18000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  peroxyacetyl nitrate
! formula:  CH_3COOONO_2
! trivial:  PAN
! casrn:    2278-22-0
! inchikey: VGQXTTSVLMQFHM-UHFFFAOYSA-N
Hvpx____2278_22_0 =  2.0E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____2278_22_0 =  2.0E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____2278_22_0 =  1.9E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx____2278_22_0 =  2.0E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx____2278_22_0 =  2.0E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx____2278_22_0 =  1.9E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1182
Hvpx____2278_22_0 =  1.8E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3769
Hvpx____2278_22_0 =  2.4E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3531
Hvpx____2278_22_0 =  1.3E+01                                  ! [atm] type: M, ref: 624
Hvpx____2278_22_0 =  2.0E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 502
Hvpx____2278_22_0 =  1.1E+01                                  ! [atm] type: M, ref: 513
Hvpx____2278_22_0 =  1.5E+01                                  ! [atm] type: X, ref: gaffney84
Hvpx____2278_22_0 =  1.9E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: C, ref: 34
Hvpx____2278_22_0 =  1.5E+01                                  ! [atm] type: C, ref: 19
Hvpx____2278_22_0 =  8.0E+00                                  ! [atm] type: Q, ref: 3730
Hvpx____2278_22_0 =  8.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx____2278_22_0 =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____2278_22_0 =  5.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx____2278_22_0 =  7.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx____2278_22_0 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx____2278_22_0 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____2278_22_0 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx____2278_22_0 =  2.5E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____2278_22_0 =  1.7E-01                                  ! [atm] type: Q, ref: 2530
Hvpx____2278_22_0 =  1.5E+01                                  ! [atm] type: ?, ref: 3586

! species:  peroxypropionyl nitrate
! formula:  C_2H_5COOONO_2
! trivial:  PPN
! casrn:    5796-89-4
! inchikey: TXINBPKSWKFMNB-UHFFFAOYSA-N
Hvpx____5796_89_4 =  3.3E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3769
Hvpx____5796_89_4 =  1.9E+01                                  ! [atm] type: M, ref: 624
Hvpx____5796_89_4 =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____5796_89_4 =  1.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx____5796_89_4 =  1.5E+03                                  ! [atm] type: Q, ref: 3409
Hvpx____5796_89_4 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx____5796_89_4 =  2.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx____5796_89_4 =  8.8E+00                                  ! [atm] type: Q, ref: 2546

! species:  nitro butaneperoxoate
! formula:  C_3H_7COOONO_2
! trivial:  PnBN
! casrn:    27746-48-1
! inchikey: HZUMMZVMNQSPFF-UHFFFAOYSA-N
Hvpx___27746_48_1 =  2.4E+01                                  ! [atm] type: M, ref: 624
Hvpx___27746_48_1 =  1.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx___27746_48_1 =  2.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx___27746_48_1 =  2.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx___27746_48_1 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx___27746_48_1 =  4.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx___27746_48_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2546

! species:  peroxy-2-propenoyl nitrate
! formula:  CH_2C(CH_3)COOONO_2
! trivial:  peroxymethacryloyl nitrate; MPAN
! casrn:    88181-75-3
! inchikey: LLZWPQFQEBKRLX-UHFFFAOYSA-N
Hvpx___88181_75_3 =  3.3E+01                                  ! [atm] type: M, ref: 624
Hvpx___88181_75_3 =  7.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx___88181_75_3 =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx___88181_75_3 =  2.3E+03                                  ! [atm] type: Q, ref: 3409

! species:  peroxy-isobutyryl nitrate
! formula:  C_3H_7COOONO_2
! trivial:  PiBN
! casrn:    65424-60-4
! inchikey: BDNFHGUXBRZLRQ-UHFFFAOYSA-N
Hvpx___65424_60_4 =  5.5E+01                                  ! [atm] type: M, ref: 624
Hvpx___65424_60_4 =  1.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx___65424_60_4 =  2.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx___65424_60_4 =  3.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx___65424_60_4 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx___65424_60_4 =  4.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx___65424_60_4 =  1.1E+01                                  ! [atm] type: Q, ref: 2546

! species:  furoyl peroxynitrate
! formula:  C_5H_3NO_6
! trivial:  fur-PAN
! casrn:    UNKNOWN
! inchikey: NMNZVYLGOWCHOD-UHFFFAOYSA-N
Hvpx_NMNZVYLGOWCHOD_UHFFFAOYSA_N =  5.9E+00 * EXP(  -8800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3726
Hvpx_NMNZVYLGOWCHOD_UHFFFAOYSA_N =  3.5E+00                                  ! [atm] type: Q, ref: 3726

! species:  MCM:CH3O2NO2
! formula:  CH_3NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LCFGXMPUQSXLCQ-UHFFFAOYSA-N
Hvpx_LCFGXMPUQSXLCQ_UHFFFAOYSA_N =  1.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_LCFGXMPUQSXLCQ_UHFFFAOYSA_N =  3.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_LCFGXMPUQSXLCQ_UHFFFAOYSA_N =  3.1E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETHO2HNO3
! formula:  C_2H_5NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IYCQDYYQELIXMU-UHFFFAOYSA-N
Hvpx_IYCQDYYQELIXMU_UHFFFAOYSA_N =  5.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IYCQDYYQELIXMU_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IYCQDYYQELIXMU_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NO3CH2CO3H
! formula:  C_2H_3NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VLCOOHYMNNDETJ-UHFFFAOYSA-N
Hvpx_VLCOOHYMNNDETJ_UHFFFAOYSA_N =  4.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VLCOOHYMNNDETJ_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VLCOOHYMNNDETJ_UHFFFAOYSA_N =  1.2E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NO3CH2PAN
! formula:  C_2H_2N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: CSNUPQYBRZIENU-UHFFFAOYSA-N
Hvpx_CSNUPQYBRZIENU_UHFFFAOYSA_N =  9.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CSNUPQYBRZIENU_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CSNUPQYBRZIENU_UHFFFAOYSA_N =  1.8E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACRPAN
! formula:  C_3H_3NO_5
! trivial:  
! casrn:    157258-66-7
! inchikey: SFKRQQJZRXQGLC-UHFFFAOYSA-N
Hvpx__157258_66_7 =  5.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx__157258_66_7 =  7.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx__157258_66_7 =  1.2E+03                                  ! [atm] type: Q, ref: 3409
Hvpx__157258_66_7 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx__157258_66_7 =  1.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx__157258_66_7 =  3.5E+00                                  ! [atm] type: Q, ref: 2546

! species:  MCM:PR1O2HNO3
! formula:  C_3H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FROUFTMXOYPVCX-UHFFFAOYSA-N
Hvpx_FROUFTMXOYPVCX_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FROUFTMXOYPVCX_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FROUFTMXOYPVCX_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PR2O2HNO3
! formula:  C_3H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UHIVGIHVGRYUPL-UHFFFAOYSA-N
Hvpx_UHIVGIHVGRYUPL_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UHIVGIHVGRYUPL_UHFFFAOYSA_N =  5.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UHIVGIHVGRYUPL_UHFFFAOYSA_N =  3.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRNO3CO3H
! formula:  C_3H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: FMRKJWQAPYMRJD-UHFFFAOYSA-N
Hvpx_FMRKJWQAPYMRJD_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FMRKJWQAPYMRJD_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FMRKJWQAPYMRJD_UHFFFAOYSA_N =  4.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRNO3PAN
! formula:  C_3H_4N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZLJYZUGEJFPONP-UHFFFAOYSA-N
Hvpx_ZLJYZUGEJFPONP_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLJYZUGEJFPONP_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLJYZUGEJFPONP_UHFFFAOYSA_N =  3.4E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BU1ENO3OOH
! formula:  C_4H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MFTWJXGCASCYHP-UHFFFAOYSA-N
Hvpx_MFTWJXGCASCYHP_UHFFFAOYSA_N =  8.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MFTWJXGCASCYHP_UHFFFAOYSA_N =  9.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MFTWJXGCASCYHP_UHFFFAOYSA_N =  5.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3DBPAN
! formula:  C_4H_5NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YVSVRLGWMDVSPN-UHFFFAOYSA-N
Hvpx_YVSVRLGWMDVSPN_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YVSVRLGWMDVSPN_UHFFFAOYSA_N =  9.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YVSVRLGWMDVSPN_UHFFFAOYSA_N =  4.4E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C42NO33OOH
! formula:  C_4H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CGBCWMNQUOIZIB-UHFFFAOYSA-N
Hvpx_CGBCWMNQUOIZIB_UHFFFAOYSA_N =  6.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CGBCWMNQUOIZIB_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CGBCWMNQUOIZIB_UHFFFAOYSA_N =  5.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C43NO34OOH
! formula:  C_4H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BQDGWSCZHPCGGT-UHFFFAOYSA-N
Hvpx_BQDGWSCZHPCGGT_UHFFFAOYSA_N =  8.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BQDGWSCZHPCGGT_UHFFFAOYSA_N =  9.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BQDGWSCZHPCGGT_UHFFFAOYSA_N =  9.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4PAN9
! formula:  C_4H_4N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: SHASFEZZYJNCIM-UHFFFAOYSA-N
Hvpx_SHASFEZZYJNCIM_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SHASFEZZYJNCIM_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SHASFEZZYJNCIM_UHFFFAOYSA_N =  1.0E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MPRANO3OOH
! formula:  C_4H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DTPMQEMACNJTBJ-UHFFFAOYSA-N
Hvpx_DTPMQEMACNJTBJ_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DTPMQEMACNJTBJ_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DTPMQEMACNJTBJ_UHFFFAOYSA_N =  5.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MPRBNO3OOH
! formula:  C_4H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RCQWCNCMOFDCKD-UHFFFAOYSA-N
Hvpx_RCQWCNCMOFDCKD_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RCQWCNCMOFDCKD_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RCQWCNCMOFDCKD_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MPRBNO3PAN
! formula:  C_4H_6N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: RAYRXKOIFAVDJK-UHFFFAOYSA-N
Hvpx_RAYRXKOIFAVDJK_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RAYRXKOIFAVDJK_UHFFFAOYSA_N =  4.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RAYRXKOIFAVDJK_UHFFFAOYSA_N =  2.6E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MPRNO3CO3H
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: HDNCPEGDTKOFQI-UHFFFAOYSA-N
Hvpx_HDNCPEGDTKOFQI_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HDNCPEGDTKOFQI_UHFFFAOYSA_N =  2.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HDNCPEGDTKOFQI_UHFFFAOYSA_N =  9.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUTDAOOH
! formula:  C_4H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZIAMBHNGSMXNCM-UHFFFAOYSA-N
Hvpx_ZIAMBHNGSMXNCM_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZIAMBHNGSMXNCM_UHFFFAOYSA_N =  4.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZIAMBHNGSMXNCM_UHFFFAOYSA_N =  8.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUTDBNO3
! formula:  C_4H_6N_2O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: GCQJZAFTGYZGDG-UHFFFAOYSA-N
Hvpx_GCQJZAFTGYZGDG_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_GCQJZAFTGYZGDG_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GCQJZAFTGYZGDG_UHFFFAOYSA_N =  4.0E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUTDBOOH
! formula:  C_4H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SSNXKZNERJCDKO-UHFFFAOYSA-N
Hvpx_SSNXKZNERJCDKO_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SSNXKZNERJCDKO_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SSNXKZNERJCDKO_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC3CO3H
! formula:  C_4H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZXNVOGOFZJSFAE-UHFFFAOYSA-N
Hvpx_ZXNVOGOFZJSFAE_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZXNVOGOFZJSFAE_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZXNVOGOFZJSFAE_UHFFFAOYSA_N =  1.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TC4H9NO3
! formula:  C_4H_9NO_3
! trivial:  
! casrn:    926-05-6
! inchikey: AZAKMLHUDVIDFN-UHFFFAOYSA-N
Hvpx_____926_05_6 =  8.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____926_05_6 =  6.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____926_05_6 =  5.5E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____926_05_6 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____926_05_6 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____926_05_6 =  2.8E+01                                  ! [atm] type: Q, ref: 2546

! species:  MCM:C3ME3PAN
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OLNWAQLSTCXURT-UHFFFAOYSA-N
Hvpx_OLNWAQLSTCXURT_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_OLNWAQLSTCXURT_UHFFFAOYSA_N =  3.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_OLNWAQLSTCXURT_UHFFFAOYSA_N =  3.4E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3MNO3CO3H
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UNTXQXBLSROXLI-UHFFFAOYSA-N
Hvpx_UNTXQXBLSROXLI_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UNTXQXBLSROXLI_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UNTXQXBLSROXLI_UHFFFAOYSA_N =  2.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3MNO3PAN
! formula:  C_5H_8N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: ULZBZSVLLIBTGC-UHFFFAOYSA-N
Hvpx_ULZBZSVLLIBTGC_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ULZBZSVLLIBTGC_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ULZBZSVLLIBTGC_UHFFFAOYSA_N =  5.3E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C43NO3CO3H
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KYFRJEXZVMOAMN-UHFFFAOYSA-N
Hvpx_KYFRJEXZVMOAMN_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KYFRJEXZVMOAMN_UHFFFAOYSA_N =  4.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KYFRJEXZVMOAMN_UHFFFAOYSA_N =  3.4E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C43NO3PAN
! formula:  C_5H_8N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: WPFKHDFVFPXDFZ-UHFFFAOYSA-N
Hvpx_WPFKHDFVFPXDFZ_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WPFKHDFVFPXDFZ_UHFFFAOYSA_N =  8.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WPFKHDFVFPXDFZ_UHFFFAOYSA_N =  4.2E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4M2NO3OOH
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BOAAVKBCMOPNIQ-UHFFFAOYSA-N
Hvpx_BOAAVKBCMOPNIQ_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BOAAVKBCMOPNIQ_UHFFFAOYSA_N =  3.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BOAAVKBCMOPNIQ_UHFFFAOYSA_N =  9.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4MNO31OOH
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LRRBWUKXCGVENZ-UHFFFAOYSA-N
Hvpx_LRRBWUKXCGVENZ_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LRRBWUKXCGVENZ_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LRRBWUKXCGVENZ_UHFFFAOYSA_N =  7.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4MNO32OOH
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HXNZNKRZULBVRO-UHFFFAOYSA-N
Hvpx_HXNZNKRZULBVRO_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HXNZNKRZULBVRO_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HXNZNKRZULBVRO_UHFFFAOYSA_N =  1.2E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4NO32MOOH
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HCKTYRRBEFAEAC-UHFFFAOYSA-N
Hvpx_HCKTYRRBEFAEAC_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HCKTYRRBEFAEAC_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HCKTYRRBEFAEAC_UHFFFAOYSA_N =  9.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4NO3CO3H
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JPUVYTOGMBAUBQ-UHFFFAOYSA-N
Hvpx_JPUVYTOGMBAUBQ_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JPUVYTOGMBAUBQ_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JPUVYTOGMBAUBQ_UHFFFAOYSA_N =  3.2E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4NO3M1OOH
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MWSZSODDMCBKIX-UHFFFAOYSA-N
Hvpx_MWSZSODDMCBKIX_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MWSZSODDMCBKIX_UHFFFAOYSA_N =  3.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MWSZSODDMCBKIX_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4NO3M2OOH
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QXHHHGYKLMZJBA-UHFFFAOYSA-N
Hvpx_QXHHHGYKLMZJBA_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QXHHHGYKLMZJBA_UHFFFAOYSA_N =  3.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QXHHHGYKLMZJBA_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4NO3PAN
! formula:  C_5H_8N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: GGZFCBHNGNBLNW-UHFFFAOYSA-N
Hvpx_GGZFCBHNGNBLNW_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GGZFCBHNGNBLNW_UHFFFAOYSA_N =  3.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GGZFCBHNGNBLNW_UHFFFAOYSA_N =  4.6E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C51NO32OOH
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YPLQKABNDDXYJG-UHFFFAOYSA-N
Hvpx_YPLQKABNDDXYJG_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YPLQKABNDDXYJG_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YPLQKABNDDXYJG_UHFFFAOYSA_N =  4.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C52NO31OOH
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DCAGTGOPLFTTTQ-UHFFFAOYSA-N
Hvpx_DCAGTGOPLFTTTQ_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DCAGTGOPLFTTTQ_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DCAGTGOPLFTTTQ_UHFFFAOYSA_N =  1.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C52NO33OOH
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FQGADFCNSPWVJM-UHFFFAOYSA-N
Hvpx_FQGADFCNSPWVJM_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FQGADFCNSPWVJM_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FQGADFCNSPWVJM_UHFFFAOYSA_N =  1.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C53NO32OOH
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: STNFTACLRXEYDM-UHFFFAOYSA-N
Hvpx_STNFTACLRXEYDM_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_STNFTACLRXEYDM_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_STNFTACLRXEYDM_UHFFFAOYSA_N =  2.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN18
! formula:  C_5H_6N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: JYUXMKSXMIBDSN-UHFFFAOYSA-N
Hvpx_JYUXMKSXMIBDSN_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JYUXMKSXMIBDSN_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JYUXMKSXMIBDSN_UHFFFAOYSA_N =  2.7E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN4
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LGNOWHJLTKBAFC-UHFFFAOYSA-N
Hvpx_LGNOWHJLTKBAFC_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_LGNOWHJLTKBAFC_UHFFFAOYSA_N =  3.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_LGNOWHJLTKBAFC_UHFFFAOYSA_N =  4.1E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN6
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VQRIYOXAZWZCOV-UHFFFAOYSA-N
Hvpx_VQRIYOXAZWZCOV_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VQRIYOXAZWZCOV_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VQRIYOXAZWZCOV_UHFFFAOYSA_N =  3.4E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPEANO3
! formula:  C_5H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QSSWLPYLLKHHLB-UHFFFAOYSA-N
Hvpx_QSSWLPYLLKHHLB_UHFFFAOYSA_N =  6.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_QSSWLPYLLKHHLB_UHFFFAOYSA_N =  3.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_QSSWLPYLLKHHLB_UHFFFAOYSA_N =  1.4E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPEBNO3
! formula:  C_5H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OTVLXFGCWJFXJU-UHFFFAOYSA-N
Hvpx_OTVLXFGCWJFXJU_UHFFFAOYSA_N =  6.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_OTVLXFGCWJFXJU_UHFFFAOYSA_N =  4.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_OTVLXFGCWJFXJU_UHFFFAOYSA_N =  1.3E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPECNO3
! formula:  C_5H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UENFRVTUGZKXNH-UHFFFAOYSA-N
Hvpx_UENFRVTUGZKXNH_UHFFFAOYSA_N =  1.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_UENFRVTUGZKXNH_UHFFFAOYSA_N =  8.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_UENFRVTUGZKXNH_UHFFFAOYSA_N =  7.2E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC4CO3H
! formula:  C_5H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: SLKHOLOIOGBFQB-UHFFFAOYSA-N
Hvpx_SLKHOLOIOGBFQB_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SLKHOLOIOGBFQB_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SLKHOLOIOGBFQB_UHFFFAOYSA_N =  3.2E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NEOPNO3
! formula:  C_5H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YJGBGWFCCCQXIM-UHFFFAOYSA-N
Hvpx_YJGBGWFCCCQXIM_UHFFFAOYSA_N =  1.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_YJGBGWFCCCQXIM_UHFFFAOYSA_N =  4.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_YJGBGWFCCCQXIM_UHFFFAOYSA_N =  1.3E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NISOPNO3
! formula:  C_5H_8N_2O_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JGJBVRGABXKDRR-UHFFFAOYSA-N
Hvpx_JGJBVRGABXKDRR_UHFFFAOYSA_N =  2.1E-01 * EXP(  -9400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_JGJBVRGABXKDRR_UHFFFAOYSA_N =  2.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_JGJBVRGABXKDRR_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JGJBVRGABXKDRR_UHFFFAOYSA_N =  4.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NISOPOOH
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IRFXVIPRKCCSLU-UHFFFAOYSA-N
Hvpx_IRFXVIPRKCCSLU_UHFFFAOYSA_N =  5.6E-04 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_IRFXVIPRKCCSLU_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IRFXVIPRKCCSLU_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IRFXVIPRKCCSLU_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PPEN
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UUYNBJNAIGBJAO-UHFFFAOYSA-N
Hvpx_UUYNBJNAIGBJAO_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_UUYNBJNAIGBJAO_UHFFFAOYSA_N =  3.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_UUYNBJNAIGBJAO_UHFFFAOYSA_N =  2.4E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C42MNO3OOH
! formula:  C_6H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KKTQLMUUOWWZBO-UHFFFAOYSA-N
Hvpx_KKTQLMUUOWWZBO_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KKTQLMUUOWWZBO_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KKTQLMUUOWWZBO_UHFFFAOYSA_N =  5.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C62NO33OOH
! formula:  C_6H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PJRWVMFJYMZPCW-UHFFFAOYSA-N
Hvpx_PJRWVMFJYMZPCW_UHFFFAOYSA_N =  9.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PJRWVMFJYMZPCW_UHFFFAOYSA_N =  3.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PJRWVMFJYMZPCW_UHFFFAOYSA_N =  1.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C63NO32OOH
! formula:  C_6H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RLIDOIUHNSZVBK-UHFFFAOYSA-N
Hvpx_RLIDOIUHNSZVBK_UHFFFAOYSA_N =  9.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RLIDOIUHNSZVBK_UHFFFAOYSA_N =  2.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RLIDOIUHNSZVBK_UHFFFAOYSA_N =  3.2E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C65NO36OOH
! formula:  C_6H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZVRSMGCQHDCSBC-UHFFFAOYSA-N
Hvpx_ZVRSMGCQHDCSBC_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZVRSMGCQHDCSBC_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZVRSMGCQHDCSBC_UHFFFAOYSA_N =  2.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C65NO3CO3H
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: RASQUKWKKRVIQJ-UHFFFAOYSA-N
Hvpx_RASQUKWKKRVIQJ_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RASQUKWKKRVIQJ_UHFFFAOYSA_N =  2.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RASQUKWKKRVIQJ_UHFFFAOYSA_N =  4.0E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C65NO3PAN
! formula:  C_6H_{10}N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: PNNYZMYYAAWSJH-UHFFFAOYSA-N
Hvpx_PNNYZMYYAAWSJH_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PNNYZMYYAAWSJH_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PNNYZMYYAAWSJH_UHFFFAOYSA_N =  8.4E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C66NO35OOH
! formula:  C_6H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YPVNGNKLOFDKIF-UHFFFAOYSA-N
Hvpx_YPVNGNKLOFDKIF_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YPVNGNKLOFDKIF_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YPVNGNKLOFDKIF_UHFFFAOYSA_N =  5.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN10
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: INNSDEOCGQAUTR-UHFFFAOYSA-N
Hvpx_INNSDEOCGQAUTR_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_INNSDEOCGQAUTR_UHFFFAOYSA_N =  4.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_INNSDEOCGQAUTR_UHFFFAOYSA_N =  3.0E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN15
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GWYKJYISUPTXQD-UHFFFAOYSA-N
Hvpx_GWYKJYISUPTXQD_UHFFFAOYSA_N =  3.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_GWYKJYISUPTXQD_UHFFFAOYSA_N =  5.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_GWYKJYISUPTXQD_UHFFFAOYSA_N =  4.0E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN17
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CUMLTNLXWSMQLS-UHFFFAOYSA-N
Hvpx_CUMLTNLXWSMQLS_UHFFFAOYSA_N =  3.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_CUMLTNLXWSMQLS_UHFFFAOYSA_N =  4.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_CUMLTNLXWSMQLS_UHFFFAOYSA_N =  3.2E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN18
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FPWBUKNMBKRQCI-UHFFFAOYSA-N
Hvpx_FPWBUKNMBKRQCI_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FPWBUKNMBKRQCI_UHFFFAOYSA_N =  3.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FPWBUKNMBKRQCI_UHFFFAOYSA_N =  3.8E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BRVOFEXYGAZHOW-UHFFFAOYSA-N
Hvpx_BRVOFEXYGAZHOW_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BRVOFEXYGAZHOW_UHFFFAOYSA_N =  5.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BRVOFEXYGAZHOW_UHFFFAOYSA_N =  3.7E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHEXNO3
! formula:  C_6H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HLYOOCIMLHNMOG-UHFFFAOYSA-N
Hvpx_HLYOOCIMLHNMOG_UHFFFAOYSA_N =  2.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_HLYOOCIMLHNMOG_UHFFFAOYSA_N =  8.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_HLYOOCIMLHNMOG_UHFFFAOYSA_N =  1.5E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEXBNO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JLGBOJJVQLNMGV-UHFFFAOYSA-N
Hvpx_JLGBOJJVQLNMGV_UHFFFAOYSA_N =  1.8E+03 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_JLGBOJJVQLNMGV_UHFFFAOYSA_N =  8.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_JLGBOJJVQLNMGV_UHFFFAOYSA_N =  7.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_JLGBOJJVQLNMGV_UHFFFAOYSA_N =  1.3E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEXCNO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OJOZCOXRANAOPV-UHFFFAOYSA-N
Hvpx_OJOZCOXRANAOPV_UHFFFAOYSA_N =  8.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_OJOZCOXRANAOPV_UHFFFAOYSA_N =  6.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_OJOZCOXRANAOPV_UHFFFAOYSA_N =  1.7E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M22C43NO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YUZOHIKIQPTSGJ-UHFFFAOYSA-N
Hvpx_YUZOHIKIQPTSGJ_UHFFFAOYSA_N =  1.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_YUZOHIKIQPTSGJ_UHFFFAOYSA_N =  5.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_YUZOHIKIQPTSGJ_UHFFFAOYSA_N =  1.5E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M22C4NO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JOWPFKXUGRKJFA-UHFFFAOYSA-N
Hvpx_JOWPFKXUGRKJFA_UHFFFAOYSA_N =  1.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_JOWPFKXUGRKJFA_UHFFFAOYSA_N =  5.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_JOWPFKXUGRKJFA_UHFFFAOYSA_N =  9.9E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M23C43NO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: PMABLOPIFVACLQ-UHFFFAOYSA-N
Hvpx_PMABLOPIFVACLQ_UHFFFAOYSA_N =  1.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_PMABLOPIFVACLQ_UHFFFAOYSA_N =  7.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_PMABLOPIFVACLQ_UHFFFAOYSA_N =  7.4E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M23C4NO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HHRFTVZVEUIWEO-UHFFFAOYSA-N
Hvpx_HHRFTVZVEUIWEO_UHFFFAOYSA_N =  7.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_HHRFTVZVEUIWEO_UHFFFAOYSA_N =  3.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_HHRFTVZVEUIWEO_UHFFFAOYSA_N =  1.2E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2PEANO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CETUNBADQVCCRS-UHFFFAOYSA-N
Hvpx_CETUNBADQVCCRS_UHFFFAOYSA_N =  8.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_CETUNBADQVCCRS_UHFFFAOYSA_N =  4.9E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_CETUNBADQVCCRS_UHFFFAOYSA_N =  1.6E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2PEBNO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AYWPQHSAUPNICG-UHFFFAOYSA-N
Hvpx_AYWPQHSAUPNICG_UHFFFAOYSA_N =  7.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_AYWPQHSAUPNICG_UHFFFAOYSA_N =  7.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_AYWPQHSAUPNICG_UHFFFAOYSA_N =  1.5E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2PECNO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZLERWGPAWILHHJ-UHFFFAOYSA-N
Hvpx_ZLERWGPAWILHHJ_UHFFFAOYSA_N =  7.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLERWGPAWILHHJ_UHFFFAOYSA_N =  5.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLERWGPAWILHHJ_UHFFFAOYSA_N =  1.7E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2PEDNO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LFIPHSRTIDHJFT-UHFFFAOYSA-N
Hvpx_LFIPHSRTIDHJFT_UHFFFAOYSA_N =  1.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_LFIPHSRTIDHJFT_UHFFFAOYSA_N =  1.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_LFIPHSRTIDHJFT_UHFFFAOYSA_N =  8.4E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M33C4NO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DENSRMRCUIZNMK-UHFFFAOYSA-N
Hvpx_DENSRMRCUIZNMK_UHFFFAOYSA_N =  1.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_DENSRMRCUIZNMK_UHFFFAOYSA_N =  5.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_DENSRMRCUIZNMK_UHFFFAOYSA_N =  1.5E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3PEANO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HRVRJIMBNILCGN-UHFFFAOYSA-N
Hvpx_HRVRJIMBNILCGN_UHFFFAOYSA_N =  8.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_HRVRJIMBNILCGN_UHFFFAOYSA_N =  4.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_HRVRJIMBNILCGN_UHFFFAOYSA_N =  1.2E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3PEBNO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IEHIEWLLOPOHIZ-UHFFFAOYSA-N
Hvpx_IEHIEWLLOPOHIZ_UHFFFAOYSA_N =  7.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_IEHIEWLLOPOHIZ_UHFFFAOYSA_N =  5.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_IEHIEWLLOPOHIZ_UHFFFAOYSA_N =  1.3E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3PECNO3
! formula:  C_6H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GFKONLNVJRACGN-UHFFFAOYSA-N
Hvpx_GFKONLNVJRACGN_UHFFFAOYSA_N =  1.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_GFKONLNVJRACGN_UHFFFAOYSA_N =  1.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_GFKONLNVJRACGN_UHFFFAOYSA_N =  8.8E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHXN
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ITHMZXMFOKWUTQ-UHFFFAOYSA-N
Hvpx_ITHMZXMFOKWUTQ_UHFFFAOYSA_N =  2.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_ITHMZXMFOKWUTQ_UHFFFAOYSA_N =  5.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_ITHMZXMFOKWUTQ_UHFFFAOYSA_N =  3.0E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEPTNO3
! formula:  C_7H_{15}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RFSNRWONUSBTJN-UHFFFAOYSA-N
Hvpx_RFSNRWONUSBTJN_UHFFFAOYSA_N =  1.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_RFSNRWONUSBTJN_UHFFFAOYSA_N =  8.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_RFSNRWONUSBTJN_UHFFFAOYSA_N =  1.8E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2HEXANO3
! formula:  C_7H_{15}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YZGBSAOHUZMZSL-UHFFFAOYSA-N
Hvpx_YZGBSAOHUZMZSL_UHFFFAOYSA_N =  8.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_YZGBSAOHUZMZSL_UHFFFAOYSA_N =  9.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_YZGBSAOHUZMZSL_UHFFFAOYSA_N =  1.4E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2HEXBNO3
! formula:  C_7H_{15}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CORAYZMLWQTCOE-UHFFFAOYSA-N
Hvpx_CORAYZMLWQTCOE_UHFFFAOYSA_N =  1.5E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_CORAYZMLWQTCOE_UHFFFAOYSA_N =  1.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_CORAYZMLWQTCOE_UHFFFAOYSA_N =  9.5E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3HEXANO3
! formula:  C_7H_{15}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZIINVFVZOGZDQJ-UHFFFAOYSA-N
Hvpx_ZIINVFVZOGZDQJ_UHFFFAOYSA_N =  8.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_ZIINVFVZOGZDQJ_UHFFFAOYSA_N =  8.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_ZIINVFVZOGZDQJ_UHFFFAOYSA_N =  1.6E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3HEXBNO3
! formula:  C_7H_{15}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ADYNXMRWYWNUDX-UHFFFAOYSA-N
Hvpx_ADYNXMRWYWNUDX_UHFFFAOYSA_N =  1.5E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_ADYNXMRWYWNUDX_UHFFFAOYSA_N =  1.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_ADYNXMRWYWNUDX_UHFFFAOYSA_N =  8.4E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHPTN
! formula:  C_7H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XCJVDRQLXVBBEC-UHFFFAOYSA-N
Hvpx_XCJVDRQLXVBBEC_UHFFFAOYSA_N =  3.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XCJVDRQLXVBBEC_UHFFFAOYSA_N =  6.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_XCJVDRQLXVBBEC_UHFFFAOYSA_N =  2.7E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8BCNO3
! formula:  C_8H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OSNOKXIMBITXOJ-UHFFFAOYSA-N
Hvpx_OSNOKXIMBITXOJ_UHFFFAOYSA_N =  1.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_OSNOKXIMBITXOJ_UHFFFAOYSA_N =  1.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_OSNOKXIMBITXOJ_UHFFFAOYSA_N =  1.5E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OCTNO3
! formula:  C_8H_{17}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KDICWCURMCOQTP-UHFFFAOYSA-N
Hvpx_KDICWCURMCOQTP_UHFFFAOYSA_N =  1.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_KDICWCURMCOQTP_UHFFFAOYSA_N =  1.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_KDICWCURMCOQTP_UHFFFAOYSA_N =  2.1E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NONNO3
! formula:  C_9H_{19}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YXUXBXICIGKFLH-UHFFFAOYSA-N
Hvpx_YXUXBXICIGKFLH_UHFFFAOYSA_N =  1.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_YXUXBXICIGKFLH_UHFFFAOYSA_N =  1.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_YXUXBXICIGKFLH_UHFFFAOYSA_N =  2.2E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DECNO3
! formula:  C_{10}H_{21}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VRGDYCVXNCXQKR-UHFFFAOYSA-N
Hvpx_VRGDYCVXNCXQKR_UHFFFAOYSA_N =  1.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_VRGDYCVXNCXQKR_UHFFFAOYSA_N =  1.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_VRGDYCVXNCXQKR_UHFFFAOYSA_N =  1.9E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NAPINAOOH
! formula:  C_{10}H_{17}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IKGBGFRUISEOBM-UHFFFAOYSA-N
Hvpx_IKGBGFRUISEOBM_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IKGBGFRUISEOBM_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IKGBGFRUISEOBM_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NAPINBOOH
! formula:  C_{10}H_{17}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RUHGEBIMHPPSGQ-UHFFFAOYSA-N
Hvpx_RUHGEBIMHPPSGQ_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RUHGEBIMHPPSGQ_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RUHGEBIMHPPSGQ_UHFFFAOYSA_N =  8.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBPINAOOH
! formula:  C_{10}H_{17}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VJCKFKSOBAWLFB-UHFFFAOYSA-N
Hvpx_VJCKFKSOBAWLFB_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VJCKFKSOBAWLFB_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VJCKFKSOBAWLFB_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBPINBOOH
! formula:  C_{10}H_{17}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AWECGRRBHMAEGP-UHFFFAOYSA-N
Hvpx_AWECGRRBHMAEGP_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AWECGRRBHMAEGP_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AWECGRRBHMAEGP_UHFFFAOYSA_N =  7.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC91CO3H
! formula:  C_{10}H_{15}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: TWWSFGIBZQJYPL-UHFFFAOYSA-N
Hvpx_TWWSFGIBZQJYPL_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_TWWSFGIBZQJYPL_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_TWWSFGIBZQJYPL_UHFFFAOYSA_N =  3.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC91PAN
! formula:  C_{10}H_{14}N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: LCMKIEFNSOTVJY-UHFFFAOYSA-N
Hvpx_LCMKIEFNSOTVJY_UHFFFAOYSA_N =  6.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LCMKIEFNSOTVJY_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LCMKIEFNSOTVJY_UHFFFAOYSA_N =  5.6E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NLIMOOH
! formula:  C_{10}H_{17}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HSXYRSLOXSIYGP-UHFFFAOYSA-N
Hvpx_HSXYRSLOXSIYGP_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HSXYRSLOXSIYGP_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HSXYRSLOXSIYGP_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:UDECNO3
! formula:  C_{11}H_{23}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KGEKWWIIMVPQKA-UHFFFAOYSA-N
Hvpx_KGEKWWIIMVPQKA_UHFFFAOYSA_N =  1.9E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_KGEKWWIIMVPQKA_UHFFFAOYSA_N =  2.3E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_KGEKWWIIMVPQKA_UHFFFAOYSA_N =  2.7E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DDECNO3
! formula:  C_{12}H_{25}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: BVAQOKLOUKLOJD-UHFFFAOYSA-N
Hvpx_BVAQOKLOUKLOJD_UHFFFAOYSA_N =  2.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_BVAQOKLOUKLOJD_UHFFFAOYSA_N =  2.9E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_BVAQOKLOUKLOJD_UHFFFAOYSA_N =  2.9E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBCOOH
! formula:  C_{15}H_{25}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BEFFZATUSVKAHP-UHFFFAOYSA-N
Hvpx_BEFFZATUSVKAHP_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BEFFZATUSVKAHP_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BEFFZATUSVKAHP_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6H5CH2NO3
! formula:  C_7H_7NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WOIVNLSVAKYSKX-UHFFFAOYSA-N
Hvpx_WOIVNLSVAKYSKX_UHFFFAOYSA_N =  1.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_WOIVNLSVAKYSKX_UHFFFAOYSA_N =  7.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_WOIVNLSVAKYSKX_UHFFFAOYSA_N =  1.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZN
! formula:  C_7H_5NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ONDCXZPWEKXYJE-UHFFFAOYSA-N
Hvpx_ONDCXZPWEKXYJE_UHFFFAOYSA_N =  3.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ONDCXZPWEKXYJE_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ONDCXZPWEKXYJE_UHFFFAOYSA_N =  1.2E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6H5C2NO3
! formula:  C_8H_9NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: REJUUAZLLYKBCW-UHFFFAOYSA-N
Hvpx_REJUUAZLLYKBCW_UHFFFAOYSA_N =  1.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_REJUUAZLLYKBCW_UHFFFAOYSA_N =  9.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_REJUUAZLLYKBCW_UHFFFAOYSA_N =  1.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6H5CH2PAN
! formula:  C_8H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KKRIGRPRRNIVGL-UHFFFAOYSA-N
Hvpx_KKRIGRPRRNIVGL_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KKRIGRPRRNIVGL_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KKRIGRPRRNIVGL_UHFFFAOYSA_N =  4.6E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYLNO3
! formula:  C_8H_9NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: OIEIRDPNAPXLBC-UHFFFAOYSA-N
Hvpx_OIEIRDPNAPXLBC_UHFFFAOYSA_N =  2.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_OIEIRDPNAPXLBC_UHFFFAOYSA_N =  8.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_OIEIRDPNAPXLBC_UHFFFAOYSA_N =  1.8E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYLPAN
! formula:  C_8H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HJGURQOGPAEQPE-UHFFFAOYSA-N
Hvpx_HJGURQOGPAEQPE_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HJGURQOGPAEQPE_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HJGURQOGPAEQPE_UHFFFAOYSA_N =  1.3E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NSTYRENOOH
! formula:  C_8H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LKBHTMHNYICJQS-UHFFFAOYSA-N
Hvpx_LKBHTMHNYICJQS_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LKBHTMHNYICJQS_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LKBHTMHNYICJQS_UHFFFAOYSA_N =  4.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYLNO3
! formula:  C_8H_9NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WKRHODAGVPDBTG-UHFFFAOYSA-N
Hvpx_WKRHODAGVPDBTG_UHFFFAOYSA_N =  2.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_WKRHODAGVPDBTG_UHFFFAOYSA_N =  7.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_WKRHODAGVPDBTG_UHFFFAOYSA_N =  2.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYLPAN
! formula:  C_8H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: TXXXSKKGTSQWKQ-UHFFFAOYSA-N
Hvpx_TXXXSKKGTSQWKQ_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_TXXXSKKGTSQWKQ_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_TXXXSKKGTSQWKQ_UHFFFAOYSA_N =  1.7E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYLNO3
! formula:  C_8H_9NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SHZSDLPSACZYMH-UHFFFAOYSA-N
Hvpx_SHZSDLPSACZYMH_UHFFFAOYSA_N =  2.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_SHZSDLPSACZYMH_UHFFFAOYSA_N =  7.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_SHZSDLPSACZYMH_UHFFFAOYSA_N =  1.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYLPAN
! formula:  C_8H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZGFUWGCXWYZODV-UHFFFAOYSA-N
Hvpx_ZGFUWGCXWYZODV_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZGFUWGCXWYZODV_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZGFUWGCXWYZODV_UHFFFAOYSA_N =  8.4E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETOLNO3
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LYNFROWVHACAMO-UHFFFAOYSA-N
Hvpx_LYNFROWVHACAMO_UHFFFAOYSA_N =  2.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_LYNFROWVHACAMO_UHFFFAOYSA_N =  1.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_LYNFROWVHACAMO_UHFFFAOYSA_N =  2.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHC3NO3
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: IFDAHDBLKMQHMM-UHFFFAOYSA-N
Hvpx_IFDAHDBLKMQHMM_UHFFFAOYSA_N =  1.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_IFDAHDBLKMQHMM_UHFFFAOYSA_N =  2.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_IFDAHDBLKMQHMM_UHFFFAOYSA_N =  3.0E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHIC3NO3
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YCCLKZYFPBVILU-UHFFFAOYSA-N
Hvpx_YCCLKZYFPBVILU_UHFFFAOYSA_N =  2.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_YCCLKZYFPBVILU_UHFFFAOYSA_N =  3.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_YCCLKZYFPBVILU_UHFFFAOYSA_N =  1.4E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123BNO3
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GDXSVUXDQKEMHM-UHFFFAOYSA-N
Hvpx_GDXSVUXDQKEMHM_UHFFFAOYSA_N =  3.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_GDXSVUXDQKEMHM_UHFFFAOYSA_N =  5.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_GDXSVUXDQKEMHM_UHFFFAOYSA_N =  1.8E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123BPAN
! formula:  C_9H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VMALQUVLPIFIEM-UHFFFAOYSA-N
Hvpx_VMALQUVLPIFIEM_UHFFFAOYSA_N =  9.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VMALQUVLPIFIEM_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VMALQUVLPIFIEM_UHFFFAOYSA_N =  1.2E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124BNO3
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VLXWVVSZKXVGNM-UHFFFAOYSA-N
Hvpx_VLXWVVSZKXVGNM_UHFFFAOYSA_N =  3.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_VLXWVVSZKXVGNM_UHFFFAOYSA_N =  5.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VLXWVVSZKXVGNM_UHFFFAOYSA_N =  1.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124BPAN
! formula:  C_9H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SSMPYZHCWJGIJH-UHFFFAOYSA-N
Hvpx_SSMPYZHCWJGIJH_UHFFFAOYSA_N =  9.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SSMPYZHCWJGIJH_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SSMPYZHCWJGIJH_UHFFFAOYSA_N =  7.4E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TMBNO3
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CHDZRXQPKVNDRJ-UHFFFAOYSA-N
Hvpx_CHDZRXQPKVNDRJ_UHFFFAOYSA_N =  3.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_CHDZRXQPKVNDRJ_UHFFFAOYSA_N =  9.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_CHDZRXQPKVNDRJ_UHFFFAOYSA_N =  1.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TMBPAN
! formula:  C_9H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QURBGWBLEPWFEF-UHFFFAOYSA-N
Hvpx_QURBGWBLEPWFEF_UHFFFAOYSA_N =  9.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QURBGWBLEPWFEF_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_QURBGWBLEPWFEF_UHFFFAOYSA_N =  1.4E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DM35EBNO3
! formula:  C_{10}H_{13}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CZPIEIXHJQQIGZ-UHFFFAOYSA-N
Hvpx_CZPIEIXHJQQIGZ_UHFFFAOYSA_N =  3.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_CZPIEIXHJQQIGZ_UHFFFAOYSA_N =  2.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_CZPIEIXHJQQIGZ_UHFFFAOYSA_N =  3.2E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EMPHPAN
! formula:  C_{10}H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DPRDWMVUHNTRQI-UHFFFAOYSA-N
Hvpx_DPRDWMVUHNTRQI_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DPRDWMVUHNTRQI_UHFFFAOYSA_N =  5.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DPRDWMVUHNTRQI_UHFFFAOYSA_N =  1.7E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DE35TNO3
! formula:  C_{11}H_{15}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: XLLLSPDIGUQFTC-UHFFFAOYSA-N
Hvpx_XLLLSPDIGUQFTC_UHFFFAOYSA_N =  4.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_XLLLSPDIGUQFTC_UHFFFAOYSA_N =  3.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_XLLLSPDIGUQFTC_UHFFFAOYSA_N =  3.4E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PHAN
! formula:  C_2H_3NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KMDWHTZYVJXWAH-UHFFFAOYSA-N
Hvpx_KMDWHTZYVJXWAH_UHFFFAOYSA_N =  8.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KMDWHTZYVJXWAH_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KMDWHTZYVJXWAH_UHFFFAOYSA_N =  8.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:A2PAN
! formula:  C_3H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: RQFAVCUBLOXLKI-UHFFFAOYSA-N
Hvpx_RQFAVCUBLOXLKI_UHFFFAOYSA_N =  7.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RQFAVCUBLOXLKI_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RQFAVCUBLOXLKI_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3PAN1
! formula:  C_3H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZDHDBTZUUXEIQG-UHFFFAOYSA-N
Hvpx_ZDHDBTZUUXEIQG_UHFFFAOYSA_N =  5.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDHDBTZUUXEIQG_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDHDBTZUUXEIQG_UHFFFAOYSA_N =  8.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1C3NO3
! formula:  C_3H_7NO_4
! trivial:  
! casrn:    100502-66-7
! inchikey: PTMLFFXFTRSBJW-UHFFFAOYSA-N
Hvpx__100502_66_7 =  2.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx__100502_66_7 =  4.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx__100502_66_7 =  8.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx__100502_66_7 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx__100502_66_7 =  1.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx__100502_66_7 =  7.0E-04                                  ! [atm] type: Q, ref: 2546

! species:  MCM:IPROPOLPAN
! formula:  C_3H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VGQGEUUGHUVAJJ-UHFFFAOYSA-N
Hvpx_VGQGEUUGHUVAJJ_UHFFFAOYSA_N =  9.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VGQGEUUGHUVAJJ_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VGQGEUUGHUVAJJ_UHFFFAOYSA_N =  2.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUTDANO3
! formula:  C_4H_7NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JVISETCEJQRRQM-UHFFFAOYSA-N
Hvpx_JVISETCEJQRRQM_UHFFFAOYSA_N =  5.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JVISETCEJQRRQM_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JVISETCEJQRRQM_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUTDBNO3
! formula:  C_4H_7NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MVWTUBMDIKBQOB-UHFFFAOYSA-N
Hvpx_MVWTUBMDIKBQOB_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MVWTUBMDIKBQOB_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MVWTUBMDIKBQOB_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4PAN1
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZAYFYZJEFHQRME-UHFFFAOYSA-N
Hvpx_ZAYFYZJEFHQRME_UHFFFAOYSA_N =  6.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZAYFYZJEFHQRME_UHFFFAOYSA_N =  9.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZAYFYZJEFHQRME_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4PAN2
! formula:  C_4H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KFPIYXZEKUAVMP-UHFFFAOYSA-N
Hvpx_KFPIYXZEKUAVMP_UHFFFAOYSA_N =  4.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KFPIYXZEKUAVMP_UHFFFAOYSA_N =  3.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KFPIYXZEKUAVMP_UHFFFAOYSA_N =  4.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4PAN3
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: PIBQEVCOTXTKAE-UHFFFAOYSA-N
Hvpx_PIBQEVCOTXTKAE_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PIBQEVCOTXTKAE_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PIBQEVCOTXTKAE_UHFFFAOYSA_N =  1.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4PAN4
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: NXHSYZWHYBOEBH-UHFFFAOYSA-N
Hvpx_NXHSYZWHYBOEBH_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NXHSYZWHYBOEBH_UHFFFAOYSA_N =  2.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NXHSYZWHYBOEBH_UHFFFAOYSA_N =  1.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4PAN5
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BZGCEXLIVXRKKX-UHFFFAOYSA-N
Hvpx_BZGCEXLIVXRKKX_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BZGCEXLIVXRKKX_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BZGCEXLIVXRKKX_UHFFFAOYSA_N =  9.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4PAN7
! formula:  C_4H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: YKQOPDHVAHDODD-UHFFFAOYSA-N
Hvpx_YKQOPDHVAHDODD_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YKQOPDHVAHDODD_UHFFFAOYSA_N =  4.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YKQOPDHVAHDODD_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4PAN8
! formula:  C_4H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: QZCDOTFCQHJUGH-UHFFFAOYSA-N
Hvpx_QZCDOTFCQHJUGH_UHFFFAOYSA_N =  3.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QZCDOTFCQHJUGH_UHFFFAOYSA_N =  7.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QZCDOTFCQHJUGH_UHFFFAOYSA_N =  8.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C56NO3
! formula:  C_4H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XYUWBXDQANMXIL-UHFFFAOYSA-N
Hvpx_XYUWBXDQANMXIL_UHFFFAOYSA_N =  6.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XYUWBXDQANMXIL_UHFFFAOYSA_N =  6.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XYUWBXDQANMXIL_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMPAN
! formula:  C_4H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: XPXMBKPWAOWOBP-UHFFFAOYSA-N
Hvpx_XPXMBKPWAOWOBP_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XPXMBKPWAOWOBP_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XPXMBKPWAOWOBP_UHFFFAOYSA_N =  8.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO13C4NO3
! formula:  C_4H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IOYLZWMTXYBAPI-UHFFFAOYSA-N
Hvpx_IOYLZWMTXYBAPI_UHFFFAOYSA_N =  6.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IOYLZWMTXYBAPI_UHFFFAOYSA_N =  5.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IOYLZWMTXYBAPI_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C3PAN
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JGMDPJZYJFPSOE-UHFFFAOYSA-N
Hvpx_JGMDPJZYJFPSOE_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JGMDPJZYJFPSOE_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JGMDPJZYJFPSOE_UHFFFAOYSA_N =  6.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IBUTOLBNO3
! formula:  C_4H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ILMPSGIQBJFTRG-UHFFFAOYSA-N
Hvpx_ILMPSGIQBJFTRG_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ILMPSGIQBJFTRG_UHFFFAOYSA_N =  5.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ILMPSGIQBJFTRG_UHFFFAOYSA_N =  8.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IBUTOLCNO3
! formula:  C_4H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OARBGYKXUANYLR-UHFFFAOYSA-N
Hvpx_OARBGYKXUANYLR_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OARBGYKXUANYLR_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OARBGYKXUANYLR_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MACRNBPAN
! formula:  C_4H_6N_2O_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: HHPQSZXZUAZGAQ-UHFFFAOYSA-N
Hvpx_HHPQSZXZUAZGAQ_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HHPQSZXZUAZGAQ_UHFFFAOYSA_N =  7.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HHPQSZXZUAZGAQ_UHFFFAOYSA_N =  3.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MACRNCO3H
! formula:  C_4H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: VCAMMMQHKHRNFT-UHFFFAOYSA-N
Hvpx_VCAMMMQHKHRNFT_UHFFFAOYSA_N =  2.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VCAMMMQHKHRNFT_UHFFFAOYSA_N =  2.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VCAMMMQHKHRNFT_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MACRNPAN
! formula:  C_4H_6N_2O_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: YVNHVFURNFQJQM-UHFFFAOYSA-N
Hvpx_YVNHVFURNFQJQM_UHFFFAOYSA_N =  5.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YVNHVFURNFQJQM_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YVNHVFURNFQJQM_UHFFFAOYSA_N =  4.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUTDAOH
! formula:  C_4H_7NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZANUSWCYRLKDAN-UHFFFAOYSA-N
Hvpx_ZANUSWCYRLKDAN_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZANUSWCYRLKDAN_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZANUSWCYRLKDAN_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TBUTOLNO3
! formula:  C_4H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SPXXYWSDFUWLEP-UHFFFAOYSA-N
Hvpx_SPXXYWSDFUWLEP_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SPXXYWSDFUWLEP_UHFFFAOYSA_N =  3.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SPXXYWSDFUWLEP_UHFFFAOYSA_N =  5.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3M3OH2PAN
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: NSGPYXAFGPXNMV-UHFFFAOYSA-N
Hvpx_NSGPYXAFGPXNMV_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NSGPYXAFGPXNMV_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NSGPYXAFGPXNMV_UHFFFAOYSA_N =  1.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C46PAN
! formula:  C_5H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: WDMYRNZGJSFESH-UHFFFAOYSA-N
Hvpx_WDMYRNZGJSFESH_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WDMYRNZGJSFESH_UHFFFAOYSA_N =  7.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WDMYRNZGJSFESH_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4OH2CPAN
! formula:  C_5H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: INCMEOVDRBCULR-UHFFFAOYSA-N
Hvpx_INCMEOVDRBCULR_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_INCMEOVDRBCULR_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_INCMEOVDRBCULR_UHFFFAOYSA_N =  5.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4OHPAN
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: GAAOIPAQIRGTBI-UHFFFAOYSA-N
Hvpx_GAAOIPAQIRGTBI_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GAAOIPAQIRGTBI_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GAAOIPAQIRGTBI_UHFFFAOYSA_N =  1.0E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C524NO3
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IRMGDWDXIVCKPE-UHFFFAOYSA-N
Hvpx_IRMGDWDXIVCKPE_UHFFFAOYSA_N =  3.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IRMGDWDXIVCKPE_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IRMGDWDXIVCKPE_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C52NO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NBCYUKLMSBOGIC-UHFFFAOYSA-N
Hvpx_NBCYUKLMSBOGIC_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NBCYUKLMSBOGIC_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NBCYUKLMSBOGIC_UHFFFAOYSA_N =  8.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C54NO3
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OXSZOTYJVSIXIT-UHFFFAOYSA-N
Hvpx_OXSZOTYJVSIXIT_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OXSZOTYJVSIXIT_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OXSZOTYJVSIXIT_UHFFFAOYSA_N =  6.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C57NO3CO3H
! formula:  C_5H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: BPRAPKBGVRGZEK-UHFFFAOYSA-N
Hvpx_BPRAPKBGVRGZEK_UHFFFAOYSA_N =  2.3E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_BPRAPKBGVRGZEK_UHFFFAOYSA_N =  4.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_BPRAPKBGVRGZEK_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C57NO3PAN
! formula:  C_5H_8N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: QHZGCLHPLOENFL-UHFFFAOYSA-N
Hvpx_QHZGCLHPLOENFL_UHFFFAOYSA_N =  5.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_QHZGCLHPLOENFL_UHFFFAOYSA_N =  2.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_QHZGCLHPLOENFL_UHFFFAOYSA_N =  2.2E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C58NO3CO3H
! formula:  C_5H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: NFQMHUFQLLKQQS-UHFFFAOYSA-N
Hvpx_NFQMHUFQLLKQQS_UHFFFAOYSA_N =  1.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_NFQMHUFQLLKQQS_UHFFFAOYSA_N =  9.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_NFQMHUFQLLKQQS_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C58NO3PAN
! formula:  C_5H_8N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: VIMTZSSJOGPGII-UHFFFAOYSA-N
Hvpx_VIMTZSSJOGPGII_UHFFFAOYSA_N =  4.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_VIMTZSSJOGPGII_UHFFFAOYSA_N =  1.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_VIMTZSSJOGPGII_UHFFFAOYSA_N =  6.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN10
! formula:  C_5H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: YRCMXGZRWLAVBH-UHFFFAOYSA-N
Hvpx_YRCMXGZRWLAVBH_UHFFFAOYSA_N =  4.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YRCMXGZRWLAVBH_UHFFFAOYSA_N =  2.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YRCMXGZRWLAVBH_UHFFFAOYSA_N =  5.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN11
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ISSHIIFFUOEHLT-UHFFFAOYSA-N
Hvpx_ISSHIIFFUOEHLT_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ISSHIIFFUOEHLT_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ISSHIIFFUOEHLT_UHFFFAOYSA_N =  4.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN12
! formula:  C_5H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: VRGURBHINCFLEI-UHFFFAOYSA-N
Hvpx_VRGURBHINCFLEI_UHFFFAOYSA_N =  7.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VRGURBHINCFLEI_UHFFFAOYSA_N =  5.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VRGURBHINCFLEI_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN13
! formula:  C_5H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: GDYHQRWKNLRCBR-UHFFFAOYSA-N
Hvpx_GDYHQRWKNLRCBR_UHFFFAOYSA_N =  4.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GDYHQRWKNLRCBR_UHFFFAOYSA_N =  2.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GDYHQRWKNLRCBR_UHFFFAOYSA_N =  9.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN14
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KAYGTWBSLGDXRV-UHFFFAOYSA-N
Hvpx_KAYGTWBSLGDXRV_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KAYGTWBSLGDXRV_UHFFFAOYSA_N =  2.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KAYGTWBSLGDXRV_UHFFFAOYSA_N =  9.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN15
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DDVUSZKFLFMJLG-UHFFFAOYSA-N
Hvpx_DDVUSZKFLFMJLG_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DDVUSZKFLFMJLG_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DDVUSZKFLFMJLG_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN17
! formula:  C_5H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: WOHMTHRFBCBPEN-UHFFFAOYSA-N
Hvpx_WOHMTHRFBCBPEN_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WOHMTHRFBCBPEN_UHFFFAOYSA_N =  4.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WOHMTHRFBCBPEN_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN19
! formula:  C_5H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: SXXBKHKGTQGHOF-UHFFFAOYSA-N
Hvpx_SXXBKHKGTQGHOF_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SXXBKHKGTQGHOF_UHFFFAOYSA_N =  5.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SXXBKHKGTQGHOF_UHFFFAOYSA_N =  4.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN1
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BXAPPDLQCWAVAO-UHFFFAOYSA-N
Hvpx_BXAPPDLQCWAVAO_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BXAPPDLQCWAVAO_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BXAPPDLQCWAVAO_UHFFFAOYSA_N =  4.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN3
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: GANOVMQBFKDCJS-UHFFFAOYSA-N
Hvpx_GANOVMQBFKDCJS_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GANOVMQBFKDCJS_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GANOVMQBFKDCJS_UHFFFAOYSA_N =  4.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN5
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: SNADUXVVPGYKTN-UHFFFAOYSA-N
Hvpx_SNADUXVVPGYKTN_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SNADUXVVPGYKTN_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SNADUXVVPGYKTN_UHFFFAOYSA_N =  2.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN8
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: AVADEHRLOLZNNT-UHFFFAOYSA-N
Hvpx_AVADEHRLOLZNNT_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AVADEHRLOLZNNT_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AVADEHRLOLZNNT_UHFFFAOYSA_N =  7.2E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M3C4NO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KRCHLCXLZXFPMO-UHFFFAOYSA-N
Hvpx_KRCHLCXLZXFPMO_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KRCHLCXLZXFPMO_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KRCHLCXLZXFPMO_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM22C3NO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GJZIQWDDCYOUOR-UHFFFAOYSA-N
Hvpx_GJZIQWDDCYOUOR_UHFFFAOYSA_N =  3.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GJZIQWDDCYOUOR_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GJZIQWDDCYOUOR_UHFFFAOYSA_N =  4.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM2C43NO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OLLXHFMQLUGEEM-UHFFFAOYSA-N
Hvpx_OLLXHFMQLUGEEM_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OLLXHFMQLUGEEM_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OLLXHFMQLUGEEM_UHFFFAOYSA_N =  2.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM33C3NO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LCUGTHWCLWAZIN-UHFFFAOYSA-N
Hvpx_LCUGTHWCLWAZIN_UHFFFAOYSA_N =  3.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LCUGTHWCLWAZIN_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LCUGTHWCLWAZIN_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO13C5NO3
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HRXGEJHIRPMYKD-UHFFFAOYSA-N
Hvpx_HRXGEJHIRPMYKD_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HRXGEJHIRPMYKD_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HRXGEJHIRPMYKD_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO24C5NO3
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GDKLMXJUXHUPHP-UHFFFAOYSA-N
Hvpx_GDKLMXJUXHUPHP_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GDKLMXJUXHUPHP_UHFFFAOYSA_N =  9.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GDKLMXJUXHUPHP_UHFFFAOYSA_N =  3.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C54NO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BDOVYOMPHMUDCA-UHFFFAOYSA-N
Hvpx_BDOVYOMPHMUDCA_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BDOVYOMPHMUDCA_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BDOVYOMPHMUDCA_UHFFFAOYSA_N =  3.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2M2C4NO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JLEBTGVTEJACMC-UHFFFAOYSA-N
Hvpx_JLEBTGVTEJACMC_UHFFFAOYSA_N =  3.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JLEBTGVTEJACMC_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JLEBTGVTEJACMC_UHFFFAOYSA_N =  3.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C5NO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VSJMKXXNGJNYTF-UHFFFAOYSA-N
Hvpx_VSJMKXXNGJNYTF_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VSJMKXXNGJNYTF_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VSJMKXXNGJNYTF_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INAHCO3H
! formula:  C_5H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: NANYPKIUOGNJFQ-UHFFFAOYSA-N
Hvpx_NANYPKIUOGNJFQ_UHFFFAOYSA_N =  4.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_NANYPKIUOGNJFQ_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NANYPKIUOGNJFQ_UHFFFAOYSA_N =  9.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INAHPAN
! formula:  C_5H_8N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: ISRNXRSYOJKFEQ-UHFFFAOYSA-N
Hvpx_ISRNXRSYOJKFEQ_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ISRNXRSYOJKFEQ_UHFFFAOYSA_N =  8.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ISRNXRSYOJKFEQ_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INAHPCO3H
! formula:  C_5H_9NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZYWYMWCOZFANRV-UHFFFAOYSA-N
Hvpx_ZYWYMWCOZFANRV_UHFFFAOYSA_N =  3.1E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_ZYWYMWCOZFANRV_UHFFFAOYSA_N =  2.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ZYWYMWCOZFANRV_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INAHPPAN
! formula:  C_5H_8N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZXVKOORKVQYPPA-UHFFFAOYSA-N
Hvpx_ZXVKOORKVQYPPA_UHFFFAOYSA_N =  6.9E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_ZXVKOORKVQYPPA_UHFFFAOYSA_N =  4.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ZXVKOORKVQYPPA_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INANCO3H
! formula:  C_5H_8N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: HKZKRKUNOXITIG-UHFFFAOYSA-N
Hvpx_HKZKRKUNOXITIG_UHFFFAOYSA_N =  2.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HKZKRKUNOXITIG_UHFFFAOYSA_N =  2.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_HKZKRKUNOXITIG_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INANO3
! formula:  C_5H_{10}N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: VVVQXVVEBQASSQ-UHFFFAOYSA-N
Hvpx_VVVQXVVEBQASSQ_UHFFFAOYSA_N =  7.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VVVQXVVEBQASSQ_UHFFFAOYSA_N =  2.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VVVQXVVEBQASSQ_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INANPAN
! formula:  C_5H_7N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: PTXQCTHWIXKTGJ-UHFFFAOYSA-N
Hvpx_PTXQCTHWIXKTGJ_UHFFFAOYSA_N =  4.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PTXQCTHWIXKTGJ_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PTXQCTHWIXKTGJ_UHFFFAOYSA_N =  1.2E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INAOH
! formula:  C_5H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KOIOFJRFFFLZDV-UHFFFAOYSA-N
Hvpx_KOIOFJRFFFLZDV_UHFFFAOYSA_N =  1.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KOIOFJRFFFLZDV_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KOIOFJRFFFLZDV_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INAOOH
! formula:  C_5H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: JIJPRURLLPNXAY-UHFFFAOYSA-N
Hvpx_JIJPRURLLPNXAY_UHFFFAOYSA_N =  1.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_JIJPRURLLPNXAY_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JIJPRURLLPNXAY_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1HPCO3H
! formula:  C_5H_9NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: UQVCIXBCKWUTPD-UHFFFAOYSA-N
Hvpx_UQVCIXBCKWUTPD_UHFFFAOYSA_N =  3.6E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_UQVCIXBCKWUTPD_UHFFFAOYSA_N =  4.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UQVCIXBCKWUTPD_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1HPPAN
! formula:  C_5H_8N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: MXDOILKWVFGWCS-UHFFFAOYSA-N
Hvpx_MXDOILKWVFGWCS_UHFFFAOYSA_N =  7.9E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_MXDOILKWVFGWCS_UHFFFAOYSA_N =  1.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MXDOILKWVFGWCS_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1NACO3H
! formula:  C_5H_8N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: IWCHPIGOQCZQCT-UHFFFAOYSA-N
Hvpx_IWCHPIGOQCZQCT_UHFFFAOYSA_N =  2.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IWCHPIGOQCZQCT_UHFFFAOYSA_N =  2.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_IWCHPIGOQCZQCT_UHFFFAOYSA_N =  6.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1NAPAN
! formula:  C_5H_7N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: NYNQOGZUUKXJDZ-UHFFFAOYSA-N
Hvpx_NYNQOGZUUKXJDZ_UHFFFAOYSA_N =  5.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_NYNQOGZUUKXJDZ_UHFFFAOYSA_N =  7.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_NYNQOGZUUKXJDZ_UHFFFAOYSA_N =  1.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1NBCO3H
! formula:  C_5H_8N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: KPBUCMMBNBINOH-UHFFFAOYSA-N
Hvpx_KPBUCMMBNBINOH_UHFFFAOYSA_N =  2.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KPBUCMMBNBINOH_UHFFFAOYSA_N =  2.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KPBUCMMBNBINOH_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1NBPAN
! formula:  C_5H_7N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: JLOMTJWSNAHKLK-UHFFFAOYSA-N
Hvpx_JLOMTJWSNAHKLK_UHFFFAOYSA_N =  5.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JLOMTJWSNAHKLK_UHFFFAOYSA_N =  9.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JLOMTJWSNAHKLK_UHFFFAOYSA_N =  1.2E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1NO3
! formula:  C_5H_{10}N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: JJLGQNDDHJZYHP-UHFFFAOYSA-N
Hvpx_JJLGQNDDHJZYHP_UHFFFAOYSA_N =  7.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JJLGQNDDHJZYHP_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JJLGQNDDHJZYHP_UHFFFAOYSA_N =  6.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1OH
! formula:  C_5H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CMMIHJKAMSCCNX-UHFFFAOYSA-N
Hvpx_CMMIHJKAMSCCNX_UHFFFAOYSA_N =  7.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CMMIHJKAMSCCNX_UHFFFAOYSA_N =  3.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CMMIHJKAMSCCNX_UHFFFAOYSA_N =  5.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1OOH
! formula:  C_5H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: QLIFJAFKYUVUMD-UHFFFAOYSA-N
Hvpx_QLIFJAFKYUVUMD_UHFFFAOYSA_N =  1.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_QLIFJAFKYUVUMD_UHFFFAOYSA_N =  5.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_QLIFJAFKYUVUMD_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB2OOH
! formula:  C_5H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KNHLEPZPJYMJKZ-UHFFFAOYSA-N
Hvpx_KNHLEPZPJYMJKZ_UHFFFAOYSA_N =  1.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KNHLEPZPJYMJKZ_UHFFFAOYSA_N =  9.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KNHLEPZPJYMJKZ_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INCNCO3H
! formula:  C_5H_8N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: OBBLXUYPBVASEH-UHFFFAOYSA-N
Hvpx_OBBLXUYPBVASEH_UHFFFAOYSA_N =  2.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_OBBLXUYPBVASEH_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_OBBLXUYPBVASEH_UHFFFAOYSA_N =  6.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INCNO3
! formula:  C_5H_{10}N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: YANCNBBJBURWKL-UHFFFAOYSA-N
Hvpx_YANCNBBJBURWKL_UHFFFAOYSA_N =  7.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YANCNBBJBURWKL_UHFFFAOYSA_N =  2.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YANCNBBJBURWKL_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INCNPAN
! formula:  C_5H_7N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: MINPDRSMAYIHHB-UHFFFAOYSA-N
Hvpx_MINPDRSMAYIHHB_UHFFFAOYSA_N =  4.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MINPDRSMAYIHHB_UHFFFAOYSA_N =  1.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MINPDRSMAYIHHB_UHFFFAOYSA_N =  2.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INCOH
! formula:  C_5H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CLYWBEAWDTVRBE-UHFFFAOYSA-N
Hvpx_CLYWBEAWDTVRBE_UHFFFAOYSA_N =  1.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CLYWBEAWDTVRBE_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CLYWBEAWDTVRBE_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INCOOH
! formula:  C_5H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: LZOWWVNBCGLMRZ-UHFFFAOYSA-N
Hvpx_LZOWWVNBCGLMRZ_UHFFFAOYSA_N =  1.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_LZOWWVNBCGLMRZ_UHFFFAOYSA_N =  7.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_LZOWWVNBCGLMRZ_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INDHCO3H
! formula:  C_5H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: QUYOEJZVAFIYRP-UHFFFAOYSA-N
Hvpx_QUYOEJZVAFIYRP_UHFFFAOYSA_N =  1.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_QUYOEJZVAFIYRP_UHFFFAOYSA_N =  1.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QUYOEJZVAFIYRP_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INDHPAN
! formula:  C_5H_8N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: WUJYJPIJVADQSX-UHFFFAOYSA-N
Hvpx_WUJYJPIJVADQSX_UHFFFAOYSA_N =  4.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WUJYJPIJVADQSX_UHFFFAOYSA_N =  8.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WUJYJPIJVADQSX_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INDHPCO3H
! formula:  C_5H_9NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: XHWXDLVQLOECHL-UHFFFAOYSA-N
Hvpx_XHWXDLVQLOECHL_UHFFFAOYSA_N =  3.6E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_XHWXDLVQLOECHL_UHFFFAOYSA_N =  6.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_XHWXDLVQLOECHL_UHFFFAOYSA_N =  8.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INDHPPAN
! formula:  C_5H_8N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: MNXVJBKQIAYCJC-UHFFFAOYSA-N
Hvpx_MNXVJBKQIAYCJC_UHFFFAOYSA_N =  7.9E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_MNXVJBKQIAYCJC_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MNXVJBKQIAYCJC_UHFFFAOYSA_N =  7.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INDOH
! formula:  C_5H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: HMAKIHHEIIANEM-UHFFFAOYSA-N
Hvpx_HMAKIHHEIIANEM_UHFFFAOYSA_N =  7.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_HMAKIHHEIIANEM_UHFFFAOYSA_N =  3.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_HMAKIHHEIIANEM_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INDOOH
! formula:  C_5H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: MAYHMSJZSHQSOH-UHFFFAOYSA-N
Hvpx_MAYHMSJZSHQSOH_UHFFFAOYSA_N =  1.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MAYHMSJZSHQSOH_UHFFFAOYSA_N =  5.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MAYHMSJZSHQSOH_UHFFFAOYSA_N =  7.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ISOPANO3
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ISDFXKLTMWDHJL-UHFFFAOYSA-N
Hvpx_ISDFXKLTMWDHJL_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ISDFXKLTMWDHJL_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ISDFXKLTMWDHJL_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ISOPBNO3
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CIXVZPWFWFMUOH-UHFFFAOYSA-N
Hvpx_CIXVZPWFWFMUOH_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CIXVZPWFWFMUOH_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CIXVZPWFWFMUOH_UHFFFAOYSA_N =  1.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ISOPCNO3
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IDJHVSOIJITEQU-UHFFFAOYSA-N
Hvpx_IDJHVSOIJITEQU_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IDJHVSOIJITEQU_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IDJHVSOIJITEQU_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ISOPDNO3
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PYTOMGVARIWPAT-UHFFFAOYSA-N
Hvpx_PYTOMGVARIWPAT_UHFFFAOYSA_N =  9.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PYTOMGVARIWPAT_UHFFFAOYSA_N =  3.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PYTOMGVARIWPAT_UHFFFAOYSA_N =  5.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2BU2OLNO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AGMVBVSNQJHQAX-UHFFFAOYSA-N
Hvpx_AGMVBVSNQJHQAX_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AGMVBVSNQJHQAX_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AGMVBVSNQJHQAX_UHFFFAOYSA_N =  1.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2BUOL2NO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RQINUHXDGZGUIX-UHFFFAOYSA-N
Hvpx_RQINUHXDGZGUIX_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RQINUHXDGZGUIX_UHFFFAOYSA_N =  7.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RQINUHXDGZGUIX_UHFFFAOYSA_N =  9.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M3BU2OLNO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HJMHUJWXCZNPJL-UHFFFAOYSA-N
Hvpx_HJMHUJWXCZNPJL_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HJMHUJWXCZNPJL_UHFFFAOYSA_N =  3.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HJMHUJWXCZNPJL_UHFFFAOYSA_N =  1.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MBOANO3
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SMFXIBRHTKUPLI-UHFFFAOYSA-N
Hvpx_SMFXIBRHTKUPLI_UHFFFAOYSA_N =  8.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SMFXIBRHTKUPLI_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SMFXIBRHTKUPLI_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MBOBNO3
! formula:  C_5H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DYXSFFPMZZUQFC-UHFFFAOYSA-N
Hvpx_DYXSFFPMZZUQFC_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DYXSFFPMZZUQFC_UHFFFAOYSA_N =  3.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DYXSFFPMZZUQFC_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ME2BUOLNO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SBGDAJKUHMJEMT-UHFFFAOYSA-N
Hvpx_SBGDAJKUHMJEMT_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SBGDAJKUHMJEMT_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SBGDAJKUHMJEMT_UHFFFAOYSA_N =  1.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ME3BUOLNO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YWTWLHUMBHVVJS-UHFFFAOYSA-N
Hvpx_YWTWLHUMBHVVJS_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YWTWLHUMBHVVJS_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YWTWLHUMBHVVJS_UHFFFAOYSA_N =  4.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC4OHCO3H
! formula:  C_5H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: PAYOKBFCVVFNAB-UHFFFAOYSA-N
Hvpx_PAYOKBFCVVFNAB_UHFFFAOYSA_N =  2.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PAYOKBFCVVFNAB_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PAYOKBFCVVFNAB_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC4OHCPAN
! formula:  C_5H_8N_2O_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: JNBJPCXCCYUJJV-UHFFFAOYSA-N
Hvpx_JNBJPCXCCYUJJV_UHFFFAOYSA_N =  6.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JNBJPCXCCYUJJV_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JNBJPCXCCYUJJV_UHFFFAOYSA_N =  1.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC524NO3
! formula:  C_5H_{10}N_2O_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: NSZZUBPWOYNZJW-UHFFFAOYSA-N
Hvpx_NSZZUBPWOYNZJW_UHFFFAOYSA_N =  2.0E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_NSZZUBPWOYNZJW_UHFFFAOYSA_N =  3.4E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_NSZZUBPWOYNZJW_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC524OH
! formula:  C_5H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZZGZKDXCMVGDSK-UHFFFAOYSA-N
Hvpx_ZZGZKDXCMVGDSK_UHFFFAOYSA_N =  4.8E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_ZZGZKDXCMVGDSK_UHFFFAOYSA_N =  3.8E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_ZZGZKDXCMVGDSK_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC524OOH
! formula:  C_5H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: IVLBZHUBMDVGDP-UHFFFAOYSA-N
Hvpx_IVLBZHUBMDVGDP_UHFFFAOYSA_N =  3.1E-14                                  ! [atm] type: Q, ref: 3409
Hvpx_IVLBZHUBMDVGDP_UHFFFAOYSA_N =  3.2E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_IVLBZHUBMDVGDP_UHFFFAOYSA_N =  5.8E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMBOAOOH
! formula:  C_5H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JWWMAKNKCQEFPZ-UHFFFAOYSA-N
Hvpx_JWWMAKNKCQEFPZ_UHFFFAOYSA_N =  3.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JWWMAKNKCQEFPZ_UHFFFAOYSA_N =  5.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JWWMAKNKCQEFPZ_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMBOBOOH
! formula:  C_5H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZVOCBPRLBFFNTM-UHFFFAOYSA-N
Hvpx_ZVOCBPRLBFFNTM_UHFFFAOYSA_N =  3.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZVOCBPRLBFFNTM_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZVOCBPRLBFFNTM_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PE1ENEANO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VVLSYMLJBKJHQI-UHFFFAOYSA-N
Hvpx_VVLSYMLJBKJHQI_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VVLSYMLJBKJHQI_UHFFFAOYSA_N =  4.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VVLSYMLJBKJHQI_UHFFFAOYSA_N =  3.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PE1ENEBNO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZAYLQHAUCSLXCO-UHFFFAOYSA-N
Hvpx_ZAYLQHAUCSLXCO_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZAYLQHAUCSLXCO_UHFFFAOYSA_N =  4.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZAYLQHAUCSLXCO_UHFFFAOYSA_N =  8.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PE2ENEANO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SNSYWPGYFWSVQC-UHFFFAOYSA-N
Hvpx_SNSYWPGYFWSVQC_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SNSYWPGYFWSVQC_UHFFFAOYSA_N =  4.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SNSYWPGYFWSVQC_UHFFFAOYSA_N =  8.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PE2ENEBNO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FSHUAFNCTFMDNJ-UHFFFAOYSA-N
Hvpx_FSHUAFNCTFMDNJ_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FSHUAFNCTFMDNJ_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FSHUAFNCTFMDNJ_UHFFFAOYSA_N =  2.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PROL11MNO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XLOGQOLFBMMDEL-UHFFFAOYSA-N
Hvpx_XLOGQOLFBMMDEL_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_XLOGQOLFBMMDEL_UHFFFAOYSA_N =  6.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_XLOGQOLFBMMDEL_UHFFFAOYSA_N =  1.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PROL1MPAN
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KGIFHBAEXLJKCU-UHFFFAOYSA-N
Hvpx_KGIFHBAEXLJKCU_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KGIFHBAEXLJKCU_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KGIFHBAEXLJKCU_UHFFFAOYSA_N =  3.7E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZBIPERNO3
! formula:  C_6H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: RBJPNJQUNYROJW-UHFFFAOYSA-N
Hvpx_RBJPNJQUNYROJW_UHFFFAOYSA_N =  5.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RBJPNJQUNYROJW_UHFFFAOYSA_N =  6.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RBJPNJQUNYROJW_UHFFFAOYSA_N =  5.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4ME2OHNO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KWGTWPROGIVFDL-UHFFFAOYSA-N
Hvpx_KWGTWPROGIVFDL_UHFFFAOYSA_N =  4.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KWGTWPROGIVFDL_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KWGTWPROGIVFDL_UHFFFAOYSA_N =  3.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C518PAN
! formula:  C_6H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: SMGAVNKPBYTONP-UHFFFAOYSA-N
Hvpx_SMGAVNKPBYTONP_UHFFFAOYSA_N =  3.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SMGAVNKPBYTONP_UHFFFAOYSA_N =  3.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SMGAVNKPBYTONP_UHFFFAOYSA_N =  1.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C622NO3
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UCAFMJJTBHTENA-UHFFFAOYSA-N
Hvpx_UCAFMJJTBHTENA_UHFFFAOYSA_N =  1.6E-02 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_UCAFMJJTBHTENA_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_UCAFMJJTBHTENA_UHFFFAOYSA_N =  8.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UCAFMJJTBHTENA_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C624NO3
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NPRBCQJDIIBUMY-UHFFFAOYSA-N
Hvpx_NPRBCQJDIIBUMY_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NPRBCQJDIIBUMY_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NPRBCQJDIIBUMY_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C64OH5NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SZVWRLIYDKPIRS-UHFFFAOYSA-N
Hvpx_SZVWRLIYDKPIRS_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SZVWRLIYDKPIRS_UHFFFAOYSA_N =  7.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SZVWRLIYDKPIRS_UHFFFAOYSA_N =  2.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C65OH4NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZZPOFDLVCBSRPC-UHFFFAOYSA-N
Hvpx_ZZPOFDLVCBSRPC_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZZPOFDLVCBSRPC_UHFFFAOYSA_N =  6.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZZPOFDLVCBSRPC_UHFFFAOYSA_N =  9.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C66NO35OH
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FGVUHVRIXFWTDQ-UHFFFAOYSA-N
Hvpx_FGVUHVRIXFWTDQ_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FGVUHVRIXFWTDQ_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FGVUHVRIXFWTDQ_UHFFFAOYSA_N =  9.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6OH5NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WNZDORMXFCCFFY-UHFFFAOYSA-N
Hvpx_WNZDORMXFCCFFY_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WNZDORMXFCCFFY_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WNZDORMXFCCFFY_UHFFFAOYSA_N =  6.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN11
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: MMZOJEONIKVQSZ-UHFFFAOYSA-N
Hvpx_MMZOJEONIKVQSZ_UHFFFAOYSA_N =  7.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MMZOJEONIKVQSZ_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MMZOJEONIKVQSZ_UHFFFAOYSA_N =  7.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN13
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UVFJOYDNGFNBNV-UHFFFAOYSA-N
Hvpx_UVFJOYDNGFNBNV_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UVFJOYDNGFNBNV_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UVFJOYDNGFNBNV_UHFFFAOYSA_N =  5.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN14
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: OFISHWPBQMHPEB-UHFFFAOYSA-N
Hvpx_OFISHWPBQMHPEB_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OFISHWPBQMHPEB_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OFISHWPBQMHPEB_UHFFFAOYSA_N =  3.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN19
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZTVAXWHNQKLGPW-UHFFFAOYSA-N
Hvpx_ZTVAXWHNQKLGPW_UHFFFAOYSA_N =  7.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZTVAXWHNQKLGPW_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZTVAXWHNQKLGPW_UHFFFAOYSA_N =  4.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN1
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: INIWXNWKFGUMOJ-UHFFFAOYSA-N
Hvpx_INIWXNWKFGUMOJ_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_INIWXNWKFGUMOJ_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_INIWXNWKFGUMOJ_UHFFFAOYSA_N =  8.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN20
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: HBAXDJNNSYEITK-UHFFFAOYSA-N
Hvpx_HBAXDJNNSYEITK_UHFFFAOYSA_N =  7.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HBAXDJNNSYEITK_UHFFFAOYSA_N =  3.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HBAXDJNNSYEITK_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN21
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: PXGXPDBWNDXFTJ-UHFFFAOYSA-N
Hvpx_PXGXPDBWNDXFTJ_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PXGXPDBWNDXFTJ_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PXGXPDBWNDXFTJ_UHFFFAOYSA_N =  1.8E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN22
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: YIFZDOMLXOKIHL-UHFFFAOYSA-N
Hvpx_YIFZDOMLXOKIHL_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YIFZDOMLXOKIHL_UHFFFAOYSA_N =  4.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YIFZDOMLXOKIHL_UHFFFAOYSA_N =  4.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN23
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: OODNPGDDVDMKSB-UHFFFAOYSA-N
Hvpx_OODNPGDDVDMKSB_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OODNPGDDVDMKSB_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OODNPGDDVDMKSB_UHFFFAOYSA_N =  1.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN4
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZWWUNLHZACGCEV-UHFFFAOYSA-N
Hvpx_ZWWUNLHZACGCEV_UHFFFAOYSA_N =  7.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZWWUNLHZACGCEV_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZWWUNLHZACGCEV_UHFFFAOYSA_N =  5.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN8
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UOLRWSMDFSCHJH-UHFFFAOYSA-N
Hvpx_UOLRWSMDFSCHJH_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UOLRWSMDFSCHJH_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UOLRWSMDFSCHJH_UHFFFAOYSA_N =  7.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CYHXOLANO3
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GVSCAKVHXWAQQJ-UHFFFAOYSA-N
Hvpx_GVSCAKVHXWAQQJ_UHFFFAOYSA_N =  6.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GVSCAKVHXWAQQJ_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GVSCAKVHXWAQQJ_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H13M3C5NO3
! formula:  C_6H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZRQJKBICSYYJDC-UHFFFAOYSA-N
Hvpx_ZRQJKBICSYYJDC_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZRQJKBICSYYJDC_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZRQJKBICSYYJDC_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H1MC5NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YQESDLQNDPCVPT-UHFFFAOYSA-N
Hvpx_YQESDLQNDPCVPT_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YQESDLQNDPCVPT_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YQESDLQNDPCVPT_UHFFFAOYSA_N =  6.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2MC5NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OQOPDPWKHFKGPO-UHFFFAOYSA-N
Hvpx_OQOPDPWKHFKGPO_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OQOPDPWKHFKGPO_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OQOPDPWKHFKGPO_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3M3C5NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KFPWVQORUDKTSF-UHFFFAOYSA-N
Hvpx_KFPWVQORUDKTSF_UHFFFAOYSA_N =  4.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KFPWVQORUDKTSF_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KFPWVQORUDKTSF_UHFFFAOYSA_N =  4.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM22C4NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VALJBIPPHZOXME-UHFFFAOYSA-N
Hvpx_VALJBIPPHZOXME_UHFFFAOYSA_N =  4.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VALJBIPPHZOXME_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VALJBIPPHZOXME_UHFFFAOYSA_N =  5.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM23C4NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VYFSYIPQAVXJDI-UHFFFAOYSA-N
Hvpx_VYFSYIPQAVXJDI_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VYFSYIPQAVXJDI_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VYFSYIPQAVXJDI_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HM33C4NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HUEIARDLQBFSAX-UHFFFAOYSA-N
Hvpx_HUEIARDLQBFSAX_UHFFFAOYSA_N =  4.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HUEIARDLQBFSAX_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HUEIARDLQBFSAX_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1C6NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ITCMBKDCMKPMFX-UHFFFAOYSA-N
Hvpx_ITCMBKDCMKPMFX_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ITCMBKDCMKPMFX_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ITCMBKDCMKPMFX_UHFFFAOYSA_N =  7.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO1MC5NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HKEZUADWXQLOIL-UHFFFAOYSA-N
Hvpx_HKEZUADWXQLOIL_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HKEZUADWXQLOIL_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HKEZUADWXQLOIL_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2C6NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PAWWQEMXBSLVJC-UHFFFAOYSA-N
Hvpx_PAWWQEMXBSLVJC_UHFFFAOYSA_N =  3.5E-02 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_PAWWQEMXBSLVJC_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PAWWQEMXBSLVJC_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PAWWQEMXBSLVJC_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2M2C5NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VYPLOHRVLBPDEY-UHFFFAOYSA-N
Hvpx_VYPLOHRVLBPDEY_UHFFFAOYSA_N =  4.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VYPLOHRVLBPDEY_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VYPLOHRVLBPDEY_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO2MC5NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HYCOTEZKEHIINQ-UHFFFAOYSA-N
Hvpx_HYCOTEZKEHIINQ_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HYCOTEZKEHIINQ_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HYCOTEZKEHIINQ_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C6NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DLCRGHMYOOYQLW-UHFFFAOYSA-N
Hvpx_DLCRGHMYOOYQLW_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DLCRGHMYOOYQLW_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DLCRGHMYOOYQLW_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDNPHENOOH
! formula:  C_6H_5N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: CXGWHQULUCBXTG-UHFFFAOYSA-N
Hvpx_CXGWHQULUCBXTG_UHFFFAOYSA_N =  4.4E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_CXGWHQULUCBXTG_UHFFFAOYSA_N =  1.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_CXGWHQULUCBXTG_UHFFFAOYSA_N =  3.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NNCATECOOH
! formula:  C_6H_6N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: SEZKEDQZGXKDIE-UHFFFAOYSA-N
Hvpx_SEZKEDQZGXKDIE_UHFFFAOYSA_N =  3.8E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_SEZKEDQZGXKDIE_UHFFFAOYSA_N =  9.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_SEZKEDQZGXKDIE_UHFFFAOYSA_N =  5.3E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPHENOH
! formula:  C_6H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: RMHIEAGXGVAIOV-UHFFFAOYSA-N
Hvpx_RMHIEAGXGVAIOV_UHFFFAOYSA_N =  3.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RMHIEAGXGVAIOV_UHFFFAOYSA_N =  6.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RMHIEAGXGVAIOV_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPHENOOH
! formula:  C_6H_7NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: AMKSGTJAMDYUMG-UHFFFAOYSA-N
Hvpx_AMKSGTJAMDYUMG_UHFFFAOYSA_N =  1.2E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_AMKSGTJAMDYUMG_UHFFFAOYSA_N =  9.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_AMKSGTJAMDYUMG_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C622PAN
! formula:  C_7H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: YZCFVDKMDQZEJM-UHFFFAOYSA-N
Hvpx_YZCFVDKMDQZEJM_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YZCFVDKMDQZEJM_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YZCFVDKMDQZEJM_UHFFFAOYSA_N =  5.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C624PAN
! formula:  C_7H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: GVGFFJILZZBAQC-UHFFFAOYSA-N
Hvpx_GVGFFJILZZBAQC_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GVGFFJILZZBAQC_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GVGFFJILZZBAQC_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C720NO3
! formula:  C_7H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VRUSDNGIDALYSE-UHFFFAOYSA-N
Hvpx_VRUSDNGIDALYSE_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VRUSDNGIDALYSE_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VRUSDNGIDALYSE_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7PAN1
! formula:  C_7H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: HWQKKNUBUUPBAM-UHFFFAOYSA-N
Hvpx_HWQKKNUBUUPBAM_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HWQKKNUBUUPBAM_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HWQKKNUBUUPBAM_UHFFFAOYSA_N =  1.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7PAN2
! formula:  C_7H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LEPHBBVBSNQAKS-UHFFFAOYSA-N
Hvpx_LEPHBBVBSNQAKS_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LEPHBBVBSNQAKS_UHFFFAOYSA_N =  5.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LEPHBBVBSNQAKS_UHFFFAOYSA_N =  7.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M2C65NO3
! formula:  C_7H_{15}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CAEJQFHLOCBFOE-UHFFFAOYSA-N
Hvpx_CAEJQFHLOCBFOE_UHFFFAOYSA_N =  5.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CAEJQFHLOCBFOE_UHFFFAOYSA_N =  3.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CAEJQFHLOCBFOE_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M4C65NO3
! formula:  C_7H_{15}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GNQNFXQMHRYYMA-UHFFFAOYSA-N
Hvpx_GNQNFXQMHRYYMA_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GNQNFXQMHRYYMA_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GNQNFXQMHRYYMA_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2M5C65NO3
! formula:  C_7H_{15}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JWGQNCMAKPVWAL-UHFFFAOYSA-N
Hvpx_JWGQNCMAKPVWAL_UHFFFAOYSA_N =  5.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JWGQNCMAKPVWAL_UHFFFAOYSA_N =  5.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JWGQNCMAKPVWAL_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3M3C6NO3
! formula:  C_7H_{15}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HWCRTHIHVAVLJX-UHFFFAOYSA-N
Hvpx_HWCRTHIHVAVLJX_UHFFFAOYSA_N =  5.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HWCRTHIHVAVLJX_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HWCRTHIHVAVLJX_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C76NO3
! formula:  C_7H_{15}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FLDFLEPRHCTYNR-UHFFFAOYSA-N
Hvpx_FLDFLEPRHCTYNR_UHFFFAOYSA_N =  3.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FLDFLEPRHCTYNR_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FLDFLEPRHCTYNR_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MNNCATCOOH
! formula:  C_7H_8N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: QARZHCGSBCBWKI-UHFFFAOYSA-N
Hvpx_QARZHCGSBCBWKI_UHFFFAOYSA_N =  5.5E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_QARZHCGSBCBWKI_UHFFFAOYSA_N =  9.9E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_QARZHCGSBCBWKI_UHFFFAOYSA_N =  4.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NCRESOH
! formula:  C_7H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: DNQMNVUMZARJRH-UHFFFAOYSA-N
Hvpx_DNQMNVUMZARJRH_UHFFFAOYSA_N =  5.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DNQMNVUMZARJRH_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DNQMNVUMZARJRH_UHFFFAOYSA_N =  7.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NCRESOOH
! formula:  C_7H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: CBYLLFTZDVJCIH-UHFFFAOYSA-N
Hvpx_CBYLLFTZDVJCIH_UHFFFAOYSA_N =  2.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_CBYLLFTZDVJCIH_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CBYLLFTZDVJCIH_UHFFFAOYSA_N =  7.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDNCRESOOH
! formula:  C_7H_7N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: LRLYMWFOIDHJSH-UHFFFAOYSA-N
Hvpx_LRLYMWFOIDHJSH_UHFFFAOYSA_N =  7.7E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_LRLYMWFOIDHJSH_UHFFFAOYSA_N =  4.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_LRLYMWFOIDHJSH_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLBIPERNO3
! formula:  C_7H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BBVQCFWACDVWPL-UHFFFAOYSA-N
Hvpx_BBVQCFWACDVWPL_UHFFFAOYSA_N =  9.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BBVQCFWACDVWPL_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BBVQCFWACDVWPL_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8PAN1
! formula:  C_8H_{15}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JRARROZAJMGAPP-UHFFFAOYSA-N
Hvpx_JRARROZAJMGAPP_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JRARROZAJMGAPP_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JRARROZAJMGAPP_UHFFFAOYSA_N =  7.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBZBPERNO3
! formula:  C_8H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: GVVNXZZYBMLIBS-UHFFFAOYSA-N
Hvpx_GVVNXZZYBMLIBS_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GVVNXZZYBMLIBS_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GVVNXZZYBMLIBS_UHFFFAOYSA_N =  2.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ENNCATCOOH
! formula:  C_8H_{10}N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: SUCBZAKUUVBJMN-UHFFFAOYSA-N
Hvpx_SUCBZAKUUVBJMN_UHFFFAOYSA_N =  6.3E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_SUCBZAKUUVBJMN_UHFFFAOYSA_N =  1.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_SUCBZAKUUVBJMN_UHFFFAOYSA_N =  9.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C86NO3
! formula:  C_8H_{17}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WNECKFLKAYSMQF-UHFFFAOYSA-N
Hvpx_WNECKFLKAYSMQF_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WNECKFLKAYSMQF_UHFFFAOYSA_N =  4.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WNECKFLKAYSMQF_UHFFFAOYSA_N =  3.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXNNCATOOH
! formula:  C_8H_{10}N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: SNJAPGUPFXVMJK-UHFFFAOYSA-N
Hvpx_SNJAPGUPFXVMJK_UHFFFAOYSA_N =  1.0E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_SNJAPGUPFXVMJK_UHFFFAOYSA_N =  2.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_SNJAPGUPFXVMJK_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYBIPENO3
! formula:  C_8H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: QFCKPTYGEYQVET-UHFFFAOYSA-N
Hvpx_QFCKPTYGEYQVET_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QFCKPTYGEYQVET_UHFFFAOYSA_N =  6.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QFCKPTYGEYQVET_UHFFFAOYSA_N =  4.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDNEBZLOOH
! formula:  C_8H_9N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: XZASAIPCUIAVQG-UHFFFAOYSA-N
Hvpx_XZASAIPCUIAVQG_UHFFFAOYSA_N =  8.6E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_XZASAIPCUIAVQG_UHFFFAOYSA_N =  6.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_XZASAIPCUIAVQG_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDNMXYLOOH
! formula:  C_8H_9N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: AAXPRTISYYDKLT-UHFFFAOYSA-N
Hvpx_AAXPRTISYYDKLT_UHFFFAOYSA_N =  1.2E-15                                  ! [atm] type: Q, ref: 3409
Hvpx_AAXPRTISYYDKLT_UHFFFAOYSA_N =  6.9E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_AAXPRTISYYDKLT_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDNOXYLOOH
! formula:  C_8H_9N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: SEMBUWBKKSEFTL-UHFFFAOYSA-N
Hvpx_SEMBUWBKKSEFTL_UHFFFAOYSA_N =  6.4E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_SEMBUWBKKSEFTL_UHFFFAOYSA_N =  2.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_SEMBUWBKKSEFTL_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDNPXYLOOH
! formula:  C_8H_9N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: YXONGYHUJBRFJO-UHFFFAOYSA-N
Hvpx_YXONGYHUJBRFJO_UHFFFAOYSA_N =  1.2E-15                                  ! [atm] type: Q, ref: 3409
Hvpx_YXONGYHUJBRFJO_UHFFFAOYSA_N =  4.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_YXONGYHUJBRFJO_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NEBNZOLOH
! formula:  C_8H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: GKEIZOZEJLMBMT-UHFFFAOYSA-N
Hvpx_GKEIZOZEJLMBMT_UHFFFAOYSA_N =  7.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GKEIZOZEJLMBMT_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GKEIZOZEJLMBMT_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NEBNZOLOOH
! formula:  C_8H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: DZFBJORWJYJOSR-UHFFFAOYSA-N
Hvpx_DZFBJORWJYJOSR_UHFFFAOYSA_N =  2.7E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_DZFBJORWJYJOSR_UHFFFAOYSA_N =  4.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DZFBJORWJYJOSR_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMXYOLOH
! formula:  C_8H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: SFEIDLQIDXHPNL-UHFFFAOYSA-N
Hvpx_SFEIDLQIDXHPNL_UHFFFAOYSA_N =  1.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_SFEIDLQIDXHPNL_UHFFFAOYSA_N =  3.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SFEIDLQIDXHPNL_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMXYOLOOH
! formula:  C_8H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZTRVHLWFIBLUPT-UHFFFAOYSA-N
Hvpx_ZTRVHLWFIBLUPT_UHFFFAOYSA_N =  3.9E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_ZTRVHLWFIBLUPT_UHFFFAOYSA_N =  6.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZTRVHLWFIBLUPT_UHFFFAOYSA_N =  8.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOXYOLOH
! formula:  C_8H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: UBRWKHDWLQNZCI-UHFFFAOYSA-N
Hvpx_UBRWKHDWLQNZCI_UHFFFAOYSA_N =  8.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UBRWKHDWLQNZCI_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UBRWKHDWLQNZCI_UHFFFAOYSA_N =  5.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOXYOLOOH
! formula:  C_8H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: UHJNRWMXKFNWGQ-UHFFFAOYSA-N
Hvpx_UHJNRWMXKFNWGQ_UHFFFAOYSA_N =  3.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_UHJNRWMXKFNWGQ_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UHJNRWMXKFNWGQ_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPXYOLOH
! formula:  C_8H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: DMOUSJNYQFTOEV-UHFFFAOYSA-N
Hvpx_DMOUSJNYQFTOEV_UHFFFAOYSA_N =  8.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DMOUSJNYQFTOEV_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DMOUSJNYQFTOEV_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPXYOLOOH
! formula:  C_8H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: XNVGITFEYRRJBZ-UHFFFAOYSA-N
Hvpx_XNVGITFEYRRJBZ_UHFFFAOYSA_N =  3.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_XNVGITFEYRRJBZ_UHFFFAOYSA_N =  3.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XNVGITFEYRRJBZ_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXNNCATOOH
! formula:  C_8H_{10}N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: GYUDSTHOULZHIU-UHFFFAOYSA-N
Hvpx_GYUDSTHOULZHIU_UHFFFAOYSA_N =  5.5E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_GYUDSTHOULZHIU_UHFFFAOYSA_N =  1.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GYUDSTHOULZHIU_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYBIPENO3
! formula:  C_8H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: QQSYVIZUYAXYBZ-UHFFFAOYSA-N
Hvpx_QQSYVIZUYAXYBZ_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QQSYVIZUYAXYBZ_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QQSYVIZUYAXYBZ_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXNNCATOOH
! formula:  C_8H_{10}N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: PMLOPKQQVRFHBT-UHFFFAOYSA-N
Hvpx_PMLOPKQQVRFHBT_UHFFFAOYSA_N =  1.0E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_PMLOPKQQVRFHBT_UHFFFAOYSA_N =  2.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PMLOPKQQVRFHBT_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYBIPENO3
! formula:  C_8H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DHJHBQWQGWNRCX-UHFFFAOYSA-N
Hvpx_DHJHBQWQGWNRCX_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DHJHBQWQGWNRCX_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DHJHBQWQGWNRCX_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C9PAN1
! formula:  C_9H_{17}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: XXDOIRAKHRPRCF-UHFFFAOYSA-N
Hvpx_XXDOIRAKHRPRCF_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XXDOIRAKHRPRCF_UHFFFAOYSA_N =  8.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XXDOIRAKHRPRCF_UHFFFAOYSA_N =  8.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C96NO3
! formula:  C_9H_{19}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IBTJZAOBCFQTAU-UHFFFAOYSA-N
Hvpx_IBTJZAOBCFQTAU_UHFFFAOYSA_N =  5.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IBTJZAOBCFQTAU_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IBTJZAOBCFQTAU_UHFFFAOYSA_N =  5.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBZBPRNO3
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VLTHUNWGYHRCPS-UHFFFAOYSA-N
Hvpx_VLTHUNWGYHRCPS_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VLTHUNWGYHRCPS_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VLTHUNWGYHRCPS_UHFFFAOYSA_N =  4.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPNNCATOOH
! formula:  C_9H_{12}N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: QCQAPHFHFZPQHQ-UHFFFAOYSA-N
Hvpx_QCQAPHFHFZPQHQ_UHFFFAOYSA_N =  6.7E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_QCQAPHFHFZPQHQ_UHFFFAOYSA_N =  1.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_QCQAPHFHFZPQHQ_UHFFFAOYSA_N =  3.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLBIPNO3
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VQZACYIDHNLNBQ-UHFFFAOYSA-N
Hvpx_VQZACYIDHNLNBQ_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VQZACYIDHNLNBQ_UHFFFAOYSA_N =  9.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VQZACYIDHNLNBQ_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTNNCATOOH
! formula:  C_9H_{12}N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: ILPSXJBNDMCAEH-UHFFFAOYSA-N
Hvpx_ILPSXJBNDMCAEH_UHFFFAOYSA_N =  1.1E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_ILPSXJBNDMCAEH_UHFFFAOYSA_N =  4.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ILPSXJBNDMCAEH_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDNIPBLOOH
! formula:  C_9H_{11}N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: HEZPBZRCUHPAHJ-UHFFFAOYSA-N
Hvpx_HEZPBZRCUHPAHJ_UHFFFAOYSA_N =  9.3E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_HEZPBZRCUHPAHJ_UHFFFAOYSA_N =  6.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HEZPBZRCUHPAHJ_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDNMETLOOH
! formula:  C_9H_{11}N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: GVOHWVMFRUNQQB-UHFFFAOYSA-N
Hvpx_GVOHWVMFRUNQQB_UHFFFAOYSA_N =  1.4E-15                                  ! [atm] type: Q, ref: 3409
Hvpx_GVOHWVMFRUNQQB_UHFFFAOYSA_N =  1.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GVOHWVMFRUNQQB_UHFFFAOYSA_N =  4.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDNOETLOOH
! formula:  C_9H_{11}N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: DLTVFZDBANLVJD-UHFFFAOYSA-N
Hvpx_DLTVFZDBANLVJD_UHFFFAOYSA_N =  7.9E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_DLTVFZDBANLVJD_UHFFFAOYSA_N =  3.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DLTVFZDBANLVJD_UHFFFAOYSA_N =  3.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDNPBZLOOH
! formula:  C_9H_{11}N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: JBFCRLZRPRJLGG-UHFFFAOYSA-N
Hvpx_JBFCRLZRPRJLGG_UHFFFAOYSA_N =  1.1E-15                                  ! [atm] type: Q, ref: 3409
Hvpx_JBFCRLZRPRJLGG_UHFFFAOYSA_N =  8.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_JBFCRLZRPRJLGG_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDNPETLOOH
! formula:  C_9H_{11}N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: HIQGLTMZAYSJOX-UHFFFAOYSA-N
Hvpx_HIQGLTMZAYSJOX_UHFFFAOYSA_N =  1.4E-15                                  ! [atm] type: Q, ref: 3409
Hvpx_HIQGLTMZAYSJOX_UHFFFAOYSA_N =  8.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HIQGLTMZAYSJOX_UHFFFAOYSA_N =  3.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDNT123OOH
! formula:  C_9H_{11}N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: UGLBOUATFGGZQD-UHFFFAOYSA-N
Hvpx_UGLBOUATFGGZQD_UHFFFAOYSA_N =  1.1E-15                                  ! [atm] type: Q, ref: 3409
Hvpx_UGLBOUATFGGZQD_UHFFFAOYSA_N =  4.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UGLBOUATFGGZQD_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDNT124OOH
! formula:  C_9H_{11}N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: JFYUNHMAYFMSCF-UHFFFAOYSA-N
Hvpx_JFYUNHMAYFMSCF_UHFFFAOYSA_N =  2.1E-15                                  ! [atm] type: Q, ref: 3409
Hvpx_JFYUNHMAYFMSCF_UHFFFAOYSA_N =  9.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_JFYUNHMAYFMSCF_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NIPBNZOLOH
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: IAYADIRZIVDBNK-UHFFFAOYSA-N
Hvpx_IAYADIRZIVDBNK_UHFFFAOYSA_N =  7.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IAYADIRZIVDBNK_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IAYADIRZIVDBNK_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NIPBZOLOOH
! formula:  C_9H_{13}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: UJRLUYDBOZESDX-UHFFFAOYSA-N
Hvpx_UJRLUYDBOZESDX_UHFFFAOYSA_N =  2.9E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_UJRLUYDBOZESDX_UHFFFAOYSA_N =  4.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UJRLUYDBOZESDX_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMETOLOH
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: JUUDFVZFULKTPV-UHFFFAOYSA-N
Hvpx_JUUDFVZFULKTPV_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JUUDFVZFULKTPV_UHFFFAOYSA_N =  5.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JUUDFVZFULKTPV_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMETOLOOH
! formula:  C_9H_{13}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: CCCPQNSHVNXETJ-UHFFFAOYSA-N
Hvpx_CCCPQNSHVNXETJ_UHFFFAOYSA_N =  4.8E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_CCCPQNSHVNXETJ_UHFFFAOYSA_N =  9.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CCCPQNSHVNXETJ_UHFFFAOYSA_N =  5.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOETOLOH
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: RRTVORKFFCXYCH-UHFFFAOYSA-N
Hvpx_RRTVORKFFCXYCH_UHFFFAOYSA_N =  8.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RRTVORKFFCXYCH_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RRTVORKFFCXYCH_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOETOLOOH
! formula:  C_9H_{13}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: CGRZNCSNBNPNBR-UHFFFAOYSA-N
Hvpx_CGRZNCSNBNPNBR_UHFFFAOYSA_N =  3.2E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_CGRZNCSNBNPNBR_UHFFFAOYSA_N =  3.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CGRZNCSNBNPNBR_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPBNZOLOH
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: PSGNFPQCVGIEDF-UHFFFAOYSA-N
Hvpx_PSGNFPQCVGIEDF_UHFFFAOYSA_N =  7.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PSGNFPQCVGIEDF_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PSGNFPQCVGIEDF_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPBNZOLOOH
! formula:  C_9H_{13}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: SNFHXCYEBCZPSO-UHFFFAOYSA-N
Hvpx_SNFHXCYEBCZPSO_UHFFFAOYSA_N =  2.9E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_SNFHXCYEBCZPSO_UHFFFAOYSA_N =  5.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SNFHXCYEBCZPSO_UHFFFAOYSA_N =  2.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPETOLOH
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ILVSHXKPUYWBMX-UHFFFAOYSA-N
Hvpx_ILVSHXKPUYWBMX_UHFFFAOYSA_N =  1.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ILVSHXKPUYWBMX_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ILVSHXKPUYWBMX_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPETOLOOH
! formula:  C_9H_{13}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: BKSLAYLCQMXSES-UHFFFAOYSA-N
Hvpx_BKSLAYLCQMXSES_UHFFFAOYSA_N =  4.0E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_BKSLAYLCQMXSES_UHFFFAOYSA_N =  6.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BKSLAYLCQMXSES_UHFFFAOYSA_N =  4.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NTM123LOOH
! formula:  C_9H_{13}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: BTWUGVBELCWISQ-UHFFFAOYSA-N
Hvpx_BTWUGVBELCWISQ_UHFFFAOYSA_N =  4.9E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_BTWUGVBELCWISQ_UHFFFAOYSA_N =  6.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BTWUGVBELCWISQ_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NTM123OLOH
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: DXGFZPSQDYIOOU-UHFFFAOYSA-N
Hvpx_DXGFZPSQDYIOOU_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_DXGFZPSQDYIOOU_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DXGFZPSQDYIOOU_UHFFFAOYSA_N =  7.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NTM124LOOH
! formula:  C_9H_{13}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: JDMNMHRINWGUFB-UHFFFAOYSA-N
Hvpx_JDMNMHRINWGUFB_UHFFFAOYSA_N =  4.9E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_JDMNMHRINWGUFB_UHFFFAOYSA_N =  4.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JDMNMHRINWGUFB_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NTM124OLOH
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: RASHBSOBGFFOLP-UHFFFAOYSA-N
Hvpx_RASHBSOBGFFOLP_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RASHBSOBGFFOLP_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RASHBSOBGFFOLP_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NTM135LOOH
! formula:  C_9H_{13}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: AUGMYCIDZMPUKI-UHFFFAOYSA-N
Hvpx_AUGMYCIDZMPUKI_UHFFFAOYSA_N =  5.7E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_AUGMYCIDZMPUKI_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AUGMYCIDZMPUKI_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NTM135OLOH
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: RAAKFDOLNJCXRG-UHFFFAOYSA-N
Hvpx_RAAKFDOLNJCXRG_UHFFFAOYSA_N =  1.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RAAKFDOLNJCXRG_UHFFFAOYSA_N =  5.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RAAKFDOLNJCXRG_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLBIPNO3
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: FQBYEMVYEQQXMF-UHFFFAOYSA-N
Hvpx_FQBYEMVYEQQXMF_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FQBYEMVYEQQXMF_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FQBYEMVYEQQXMF_UHFFFAOYSA_N =  8.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OTNNCATOOH
! formula:  C_9H_{12}N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: QVFSJCAPJVJPQJ-UHFFFAOYSA-N
Hvpx_QVFSJCAPJVJPQJ_UHFFFAOYSA_N =  6.1E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_QVFSJCAPJVJPQJ_UHFFFAOYSA_N =  2.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_QVFSJCAPJVJPQJ_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZBPERNO3
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: XWXMYNZXCPDSAQ-UHFFFAOYSA-N
Hvpx_XWXMYNZXCPDSAQ_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XWXMYNZXCPDSAQ_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XWXMYNZXCPDSAQ_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLBIPNO3
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: SOIPWHDZHXSJJN-UHFFFAOYSA-N
Hvpx_SOIPWHDZHXSJJN_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SOIPWHDZHXSJJN_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SOIPWHDZHXSJJN_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PNNCATCOOH
! formula:  C_9H_{12}N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: VZHROOMDTDJZFR-UHFFFAOYSA-N
Hvpx_VZHROOMDTDJZFR_UHFFFAOYSA_N =  7.9E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_VZHROOMDTDJZFR_UHFFFAOYSA_N =  2.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_VZHROOMDTDJZFR_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PTNNCATOOH
! formula:  C_9H_{12}N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: DSPOEZNZVSBNSI-UHFFFAOYSA-N
Hvpx_DSPOEZNZVSBNSI_UHFFFAOYSA_N =  1.1E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_DSPOEZNZVSBNSI_UHFFFAOYSA_N =  4.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_DSPOEZNZVSBNSI_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:T123NCTOOH
! formula:  C_9H_{13}NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: QTWHDHJHZAXHRP-UHFFFAOYSA-N
Hvpx_QTWHDHJHZAXHRP_UHFFFAOYSA_N =  5.8E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_QTWHDHJHZAXHRP_UHFFFAOYSA_N =  1.6E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_QTWHDHJHZAXHRP_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:T123NNCOOH
! formula:  C_9H_{12}N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: DNVSLQYQQCSWFT-UHFFFAOYSA-N
Hvpx_DNVSLQYQQCSWFT_UHFFFAOYSA_N =  1.8E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_DNVSLQYQQCSWFT_UHFFFAOYSA_N =  6.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DNVSLQYQQCSWFT_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:T124NCTOOH
! formula:  C_9H_{13}NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: TXEYLBVXEVQRAA-UHFFFAOYSA-N
Hvpx_TXEYLBVXEVQRAA_UHFFFAOYSA_N =  3.2E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_TXEYLBVXEVQRAA_UHFFFAOYSA_N =  1.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_TXEYLBVXEVQRAA_UHFFFAOYSA_N =  7.9E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:T124NNCOOH
! formula:  C_9H_{12}N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: ATYVZJLHFNLHKS-UHFFFAOYSA-N
Hvpx_ATYVZJLHFNLHKS_UHFFFAOYSA_N =  1.8E-16                                  ! [atm] type: Q, ref: 3409
Hvpx_ATYVZJLHFNLHKS_UHFFFAOYSA_N =  5.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ATYVZJLHFNLHKS_UHFFFAOYSA_N =  7.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123BPNO3
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: RQYOJMSOWIZBID-UHFFFAOYSA-N
Hvpx_RQYOJMSOWIZBID_UHFFFAOYSA_N =  3.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RQYOJMSOWIZBID_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RQYOJMSOWIZBID_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124BPNO3
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KUPKWWJOBRXSMW-UHFFFAOYSA-N
Hvpx_KUPKWWJOBRXSMW_UHFFFAOYSA_N =  3.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KUPKWWJOBRXSMW_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KUPKWWJOBRXSMW_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM135BPNO3
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VYQMVFHQGVVJTP-UHFFFAOYSA-N
Hvpx_VYQMVFHQGVVJTP_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VYQMVFHQGVVJTP_UHFFFAOYSA_N =  8.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VYQMVFHQGVVJTP_UHFFFAOYSA_N =  5.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:APINANO3
! formula:  C_{10}H_{17}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YITBNQHGOKCTCE-UHFFFAOYSA-N
Hvpx_YITBNQHGOKCTCE_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YITBNQHGOKCTCE_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YITBNQHGOKCTCE_UHFFFAOYSA_N =  4.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:APINBNO3
! formula:  C_{10}H_{17}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AFJBVFUZFQZZRG-UHFFFAOYSA-N
Hvpx_AFJBVFUZFQZZRG_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AFJBVFUZFQZZRG_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AFJBVFUZFQZZRG_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:APINCNO3
! formula:  C_{10}H_{17}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IHZLDCJLQGWYSD-UHFFFAOYSA-N
Hvpx_IHZLDCJLQGWYSD_UHFFFAOYSA_N =  7.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IHZLDCJLQGWYSD_UHFFFAOYSA_N =  5.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IHZLDCJLQGWYSD_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BPINANO3
! formula:  C_{10}H_{17}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LIKORQJDVXFFRR-UHFFFAOYSA-N
Hvpx_LIKORQJDVXFFRR_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LIKORQJDVXFFRR_UHFFFAOYSA_N =  5.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LIKORQJDVXFFRR_UHFFFAOYSA_N =  9.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BPINBNO3
! formula:  C_{10}H_{17}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PIICVRQEXAAMFO-UHFFFAOYSA-N
Hvpx_PIICVRQEXAAMFO_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PIICVRQEXAAMFO_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PIICVRQEXAAMFO_UHFFFAOYSA_N =  2.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BPINCNO3
! formula:  C_{10}H_{17}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IVSZOCZGKNSHLW-UHFFFAOYSA-N
Hvpx_IVSZOCZGKNSHLW_UHFFFAOYSA_N =  8.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IVSZOCZGKNSHLW_UHFFFAOYSA_N =  3.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IVSZOCZGKNSHLW_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C10PAN1
! formula:  C_{10}H_{19}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: PVQDOCOVRZVCAL-UHFFFAOYSA-N
Hvpx_PVQDOCOVRZVCAL_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PVQDOCOVRZVCAL_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PVQDOCOVRZVCAL_UHFFFAOYSA_N =  8.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C918PAN
! formula:  C_{10}H_{15}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: GIWCNEZLGDWGNI-UHFFFAOYSA-N
Hvpx_GIWCNEZLGDWGNI_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GIWCNEZLGDWGNI_UHFFFAOYSA_N =  5.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GIWCNEZLGDWGNI_UHFFFAOYSA_N =  8.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMEBIPNO3
! formula:  C_{10}H_{15}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LWYZBKFMLLCHQU-UHFFFAOYSA-N
Hvpx_LWYZBKFMLLCHQU_UHFFFAOYSA_N =  3.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LWYZBKFMLLCHQU_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LWYZBKFMLLCHQU_UHFFFAOYSA_N =  7.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C106NO3
! formula:  C_{10}H_{21}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LRSOGLAVONYUMB-UHFFFAOYSA-N
Hvpx_LRSOGLAVONYUMB_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LRSOGLAVONYUMB_UHFFFAOYSA_N =  7.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LRSOGLAVONYUMB_UHFFFAOYSA_N =  5.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMANO3
! formula:  C_{10}H_{17}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LZDKYYHMAURBIK-UHFFFAOYSA-N
Hvpx_LZDKYYHMAURBIK_UHFFFAOYSA_N =  6.5E-03 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_LZDKYYHMAURBIK_UHFFFAOYSA_N =  8.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LZDKYYHMAURBIK_UHFFFAOYSA_N =  3.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LZDKYYHMAURBIK_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMBNO3
! formula:  C_{10}H_{17}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WIRXFNWUDJEZSG-UHFFFAOYSA-N
Hvpx_WIRXFNWUDJEZSG_UHFFFAOYSA_N =  8.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WIRXFNWUDJEZSG_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WIRXFNWUDJEZSG_UHFFFAOYSA_N =  9.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMCNO3
! formula:  C_{10}H_{17}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZELLOEPLERCREX-UHFFFAOYSA-N
Hvpx_ZELLOEPLERCREX_UHFFFAOYSA_N =  6.4E-03 * EXP( -19000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_ZELLOEPLERCREX_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZELLOEPLERCREX_UHFFFAOYSA_N =  8.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZELLOEPLERCREX_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDMEPHOLOH
! formula:  C_{10}H_{15}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: XEZYIWLRTFENIO-UHFFFAOYSA-N
Hvpx_XEZYIWLRTFENIO_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XEZYIWLRTFENIO_UHFFFAOYSA_N =  7.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XEZYIWLRTFENIO_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDMEPLOOH
! formula:  C_{10}H_{15}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: CUWVWZNCHDONFF-UHFFFAOYSA-N
Hvpx_CUWVWZNCHDONFF_UHFFFAOYSA_N =  7.4E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_CUWVWZNCHDONFF_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CUWVWZNCHDONFF_UHFFFAOYSA_N =  7.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DETLBIPNO3
! formula:  C_{11}H_{17}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: HUKONYHKUULPQM-UHFFFAOYSA-N
Hvpx_HUKONYHKUULPQM_UHFFFAOYSA_N =  3.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HUKONYHKUULPQM_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HUKONYHKUULPQM_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C116NO3
! formula:  C_{11}H_{23}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZSRHOFPLHKNYIP-UHFFFAOYSA-N
Hvpx_ZSRHOFPLHKNYIP_UHFFFAOYSA_N =  6.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSRHOFPLHKNYIP_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSRHOFPLHKNYIP_UHFFFAOYSA_N =  5.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDEMPHOLOH
! formula:  C_{11}H_{17}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: SFAWLNJVZQJDAW-UHFFFAOYSA-N
Hvpx_SFAWLNJVZQJDAW_UHFFFAOYSA_N =  2.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_SFAWLNJVZQJDAW_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SFAWLNJVZQJDAW_UHFFFAOYSA_N =  4.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDEMPLOOH
! formula:  C_{11}H_{17}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: KQXYYOILDOZYPH-UHFFFAOYSA-N
Hvpx_KQXYYOILDOZYPH_UHFFFAOYSA_N =  8.8E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_KQXYYOILDOZYPH_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KQXYYOILDOZYPH_UHFFFAOYSA_N =  3.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HO3C126NO3
! formula:  C_{12}H_{25}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NBVYOETUGSGBPE-UHFFFAOYSA-N
Hvpx_NBVYOETUGSGBPE_UHFFFAOYSA_N =  8.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NBVYOETUGSGBPE_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NBVYOETUGSGBPE_UHFFFAOYSA_N =  4.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCANO3
! formula:  C_{15}H_{25}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DXJZLWPVAKABFC-UHFFFAOYSA-N
Hvpx_DXJZLWPVAKABFC_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DXJZLWPVAKABFC_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DXJZLWPVAKABFC_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCBNO3
! formula:  C_{15}H_{25}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GGDFBGYMWXIISJ-UHFFFAOYSA-N
Hvpx_GGDFBGYMWXIISJ_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GGDFBGYMWXIISJ_UHFFFAOYSA_N =  3.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GGDFBGYMWXIISJ_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCCNO3
! formula:  C_{15}H_{25}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AJHNYRDSMBHFTD-UHFFFAOYSA-N
Hvpx_AJHNYRDSMBHFTD_UHFFFAOYSA_N =  6.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AJHNYRDSMBHFTD_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AJHNYRDSMBHFTD_UHFFFAOYSA_N =  4.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:GLYPAN
! formula:  C_2HNO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: WWNQODGUPABTBB-UHFFFAOYSA-N
Hvpx_WWNQODGUPABTBB_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WWNQODGUPABTBB_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WWNQODGUPABTBB_UHFFFAOYSA_N =  1.3E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NO3CH2CHO
! formula:  C_2H_3NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ABUBKAMLUVOXSP-UHFFFAOYSA-N
Hvpx_ABUBKAMLUVOXSP_UHFFFAOYSA_N =  5.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ABUBKAMLUVOXSP_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ABUBKAMLUVOXSP_UHFFFAOYSA_N =  4.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3PAN2
! formula:  C_3H_3NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JCWPFKBPQPIIIA-UHFFFAOYSA-N
Hvpx_JCWPFKBPQPIIIA_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JCWPFKBPQPIIIA_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JCWPFKBPQPIIIA_UHFFFAOYSA_N =  9.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOPRNO3
! formula:  C_3H_5NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IIFXHQMWCHWMFS-UHFFFAOYSA-N
Hvpx_IIFXHQMWCHWMFS_UHFFFAOYSA_N =  5.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IIFXHQMWCHWMFS_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IIFXHQMWCHWMFS_UHFFFAOYSA_N =  1.6E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUTAL2NO3
! formula:  C_4H_7NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JTMAFXAEAWTSPM-UHFFFAOYSA-N
Hvpx_JTMAFXAEAWTSPM_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JTMAFXAEAWTSPM_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JTMAFXAEAWTSPM_UHFFFAOYSA_N =  2.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUTALNO3
! formula:  C_4H_7NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YGQOBBYMNDZOFN-UHFFFAOYSA-N
Hvpx_YGQOBBYMNDZOFN_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YGQOBBYMNDZOFN_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YGQOBBYMNDZOFN_UHFFFAOYSA_N =  3.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4CONO3OOH
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: OPYZRKWHBYWVFV-UHFFFAOYSA-N
Hvpx_OPYZRKWHBYWVFV_UHFFFAOYSA_N =  7.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OPYZRKWHBYWVFV_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OPYZRKWHBYWVFV_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4NO3COOOH
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LPNJZRUFCUXQKM-UHFFFAOYSA-N
Hvpx_LPNJZRUFCUXQKM_UHFFFAOYSA_N =  7.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LPNJZRUFCUXQKM_UHFFFAOYSA_N =  4.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_LPNJZRUFCUXQKM_UHFFFAOYSA_N =  9.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOC2PAN
! formula:  C_4H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: RNHARUXEGCOCNU-UHFFFAOYSA-N
Hvpx_RNHARUXEGCOCNU_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RNHARUXEGCOCNU_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RNHARUXEGCOCNU_UHFFFAOYSA_N =  2.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CONM2CHO
! formula:  C_4H_5NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UXLHNUQVUCPVFF-UHFFFAOYSA-N
Hvpx_UXLHNUQVUCPVFF_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UXLHNUQVUCPVFF_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UXLHNUQVUCPVFF_UHFFFAOYSA_N =  1.2E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CONM2CO3H
! formula:  C_4H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KDPSYMPAERQTCV-UHFFFAOYSA-N
Hvpx_KDPSYMPAERQTCV_UHFFFAOYSA_N =  9.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KDPSYMPAERQTCV_UHFFFAOYSA_N =  5.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KDPSYMPAERQTCV_UHFFFAOYSA_N =  3.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CONM2PAN
! formula:  C_4H_4N_2O_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: PRUSZGKEVUCSBM-UHFFFAOYSA-N
Hvpx_PRUSZGKEVUCSBM_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PRUSZGKEVUCSBM_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PRUSZGKEVUCSBM_UHFFFAOYSA_N =  1.9E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IBUALANO3
! formula:  C_4H_7NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BBEYVRKCPRBWGK-UHFFFAOYSA-N
Hvpx_BBEYVRKCPRBWGK_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BBEYVRKCPRBWGK_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_BBEYVRKCPRBWGK_UHFFFAOYSA_N =  2.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IBUDIALPAN
! formula:  C_4H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ANKFJODHGNELSW-UHFFFAOYSA-N
Hvpx_ANKFJODHGNELSW_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ANKFJODHGNELSW_UHFFFAOYSA_N =  3.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ANKFJODHGNELSW_UHFFFAOYSA_N =  9.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MALDIALPAN
! formula:  C_4H_3NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JVYQADFHFGBZRY-UHFFFAOYSA-N
Hvpx_JVYQADFHFGBZRY_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JVYQADFHFGBZRY_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JVYQADFHFGBZRY_UHFFFAOYSA_N =  2.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MPRBNO3CHO
! formula:  C_4H_7NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZFRSNPXDNOXJAQ-UHFFFAOYSA-N
Hvpx_ZFRSNPXDNOXJAQ_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFRSNPXDNOXJAQ_UHFFFAOYSA_N =  7.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFRSNPXDNOXJAQ_UHFFFAOYSA_N =  4.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC3CHO
! formula:  C_4H_5NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IRCIUAVPVOGPAB-UHFFFAOYSA-N
Hvpx_IRCIUAVPVOGPAB_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IRCIUAVPVOGPAB_UHFFFAOYSA_N =  4.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IRCIUAVPVOGPAB_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3M3CHONO3
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FSONNVXXYIKSKL-UHFFFAOYSA-N
Hvpx_FSONNVXXYIKSKL_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FSONNVXXYIKSKL_UHFFFAOYSA_N =  3.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FSONNVXXYIKSKL_UHFFFAOYSA_N =  3.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3MCODBPAN
! formula:  C_5H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ABUKHSDGKGHQTM-UHFFFAOYSA-N
Hvpx_ABUKHSDGKGHQTM_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ABUKHSDGKGHQTM_UHFFFAOYSA_N =  2.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ABUKHSDGKGHQTM_UHFFFAOYSA_N =  8.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3MNO3CHO
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IIGIHDSEOSVDKL-UHFFFAOYSA-N
Hvpx_IIGIHDSEOSVDKL_UHFFFAOYSA_N =  7.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IIGIHDSEOSVDKL_UHFFFAOYSA_N =  3.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IIGIHDSEOSVDKL_UHFFFAOYSA_N =  2.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4CHOBNO3
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IRTPVYBICUATCF-UHFFFAOYSA-N
Hvpx_IRTPVYBICUATCF_UHFFFAOYSA_N =  8.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IRTPVYBICUATCF_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IRTPVYBICUATCF_UHFFFAOYSA_N =  5.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4NO3CHO
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WGTULXFSTHCAFV-UHFFFAOYSA-N
Hvpx_WGTULXFSTHCAFV_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_WGTULXFSTHCAFV_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_WGTULXFSTHCAFV_UHFFFAOYSA_N =  5.2E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C514NO3
! formula:  C_5H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CEGGSEAULUFJEH-UHFFFAOYSA-N
Hvpx_CEGGSEAULUFJEH_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CEGGSEAULUFJEH_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CEGGSEAULUFJEH_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C52NO31CO
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OIPNOUWHATXHHM-UHFFFAOYSA-N
Hvpx_OIPNOUWHATXHHM_UHFFFAOYSA_N =  8.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OIPNOUWHATXHHM_UHFFFAOYSA_N =  4.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OIPNOUWHATXHHM_UHFFFAOYSA_N =  3.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO1M22PAN
! formula:  C_5H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JNBWLVYXFYINSW-UHFFFAOYSA-N
Hvpx_JNBWLVYXFYINSW_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JNBWLVYXFYINSW_UHFFFAOYSA_N =  9.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JNBWLVYXFYINSW_UHFFFAOYSA_N =  1.2E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC3CODBPAN
! formula:  C_5H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: AENWJVOXGCGHKR-UHFFFAOYSA-N
Hvpx_AENWJVOXGCGHKR_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AENWJVOXGCGHKR_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AENWJVOXGCGHKR_UHFFFAOYSA_N =  1.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC4CHO
! formula:  C_5H_7NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FHQODWHGFJXLCS-UHFFFAOYSA-N
Hvpx_FHQODWHGFJXLCS_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FHQODWHGFJXLCS_UHFFFAOYSA_N =  5.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FHQODWHGFJXLCS_UHFFFAOYSA_N =  8.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C522PAN
! formula:  C_6H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BLDVCFQHUDZGIY-UHFFFAOYSA-N
Hvpx_BLDVCFQHUDZGIY_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BLDVCFQHUDZGIY_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BLDVCFQHUDZGIY_UHFFFAOYSA_N =  5.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C65NO36CHO
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AWOTULOVYXZRSX-UHFFFAOYSA-N
Hvpx_AWOTULOVYXZRSX_UHFFFAOYSA_N =  9.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AWOTULOVYXZRSX_UHFFFAOYSA_N =  6.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AWOTULOVYXZRSX_UHFFFAOYSA_N =  3.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOC4PAN
! formula:  C_6H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LKJHECXHBJSEQK-UHFFFAOYSA-N
Hvpx_LKJHECXHBJSEQK_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LKJHECXHBJSEQK_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LKJHECXHBJSEQK_UHFFFAOYSA_N =  1.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO1C6NO3
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BSOUFWBHIRXMPX-UHFFFAOYSA-N
Hvpx_BSOUFWBHIRXMPX_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BSOUFWBHIRXMPX_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BSOUFWBHIRXMPX_UHFFFAOYSA_N =  3.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C615PAN
! formula:  C_7H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: QXDOZRAOCVERTF-UHFFFAOYSA-N
Hvpx_QXDOZRAOCVERTF_UHFFFAOYSA_N =  4.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QXDOZRAOCVERTF_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QXDOZRAOCVERTF_UHFFFAOYSA_N =  4.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C729NO3
! formula:  C_7H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IVMGVFSKIJXXOW-UHFFFAOYSA-N
Hvpx_IVMGVFSKIJXXOW_UHFFFAOYSA_N =  4.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IVMGVFSKIJXXOW_UHFFFAOYSA_N =  1.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IVMGVFSKIJXXOW_UHFFFAOYSA_N =  1.2E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C729PAN
! formula:  C_8H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UQYKHYVNMQUYAN-UHFFFAOYSA-N
Hvpx_UQYKHYVNMQUYAN_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UQYKHYVNMQUYAN_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UQYKHYVNMQUYAN_UHFFFAOYSA_N =  2.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C810NO3
! formula:  C_8H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CHBSGOHAWLCLGZ-UHFFFAOYSA-N
Hvpx_CHBSGOHAWLCLGZ_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CHBSGOHAWLCLGZ_UHFFFAOYSA_N =  7.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CHBSGOHAWLCLGZ_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C822NO3
! formula:  C_8H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JWAJNALJDDSHOA-UHFFFAOYSA-N
Hvpx_JWAJNALJDDSHOA_UHFFFAOYSA_N =  1.9E-02 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_JWAJNALJDDSHOA_UHFFFAOYSA_N =  6.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JWAJNALJDDSHOA_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JWAJNALJDDSHOA_UHFFFAOYSA_N =  4.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C830NO3
! formula:  C_8H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FXBNRUYCAFEPCZ-UHFFFAOYSA-N
Hvpx_FXBNRUYCAFEPCZ_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FXBNRUYCAFEPCZ_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FXBNRUYCAFEPCZ_UHFFFAOYSA_N =  7.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C831NO3
! formula:  C_8H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OVEOYJGENOZMLJ-UHFFFAOYSA-N
Hvpx_OVEOYJGENOZMLJ_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OVEOYJGENOZMLJ_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OVEOYJGENOZMLJ_UHFFFAOYSA_N =  1.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C89NO3
! formula:  C_8H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JVGNHSSLWSUTIF-UHFFFAOYSA-N
Hvpx_JVGNHSSLWSUTIF_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JVGNHSSLWSUTIF_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JVGNHSSLWSUTIF_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC826OOH
! formula:  C_8H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: LIEZCAAIBRALIF-UHFFFAOYSA-N
Hvpx_LIEZCAAIBRALIF_UHFFFAOYSA_N =  2.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LIEZCAAIBRALIF_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LIEZCAAIBRALIF_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C822PAN
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: AEOJBADXVLGVNE-UHFFFAOYSA-N
Hvpx_AEOJBADXVLGVNE_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AEOJBADXVLGVNE_UHFFFAOYSA_N =  5.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AEOJBADXVLGVNE_UHFFFAOYSA_N =  1.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C830PAN
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: NSAJKAFLWKCEMC-UHFFFAOYSA-N
Hvpx_NSAJKAFLWKCEMC_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NSAJKAFLWKCEMC_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NSAJKAFLWKCEMC_UHFFFAOYSA_N =  4.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C89PAN
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: MAIUDZACSGCMBD-UHFFFAOYSA-N
Hvpx_MAIUDZACSGCMBD_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MAIUDZACSGCMBD_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MAIUDZACSGCMBD_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC91CHO
! formula:  C_{10}H_{15}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AVQCYYCZMFYNOE-UHFFFAOYSA-N
Hvpx_AVQCYYCZMFYNOE_UHFFFAOYSA_N =  3.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AVQCYYCZMFYNOE_UHFFFAOYSA_N =  3.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AVQCYYCZMFYNOE_UHFFFAOYSA_N =  6.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C126NO3
! formula:  C_{12}H_{19}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LCRFSVKVQOPOBC-UHFFFAOYSA-N
Hvpx_LCRFSVKVQOPOBC_UHFFFAOYSA_N =  5.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LCRFSVKVQOPOBC_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LCRFSVKVQOPOBC_UHFFFAOYSA_N =  7.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C126PAN
! formula:  C_{13}H_{19}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: TVUSLNPYCCAOKX-UHFFFAOYSA-N
Hvpx_TVUSLNPYCCAOKX_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_TVUSLNPYCCAOKX_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_TVUSLNPYCCAOKX_UHFFFAOYSA_N =  3.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C136NO3
! formula:  C_{13}H_{21}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: FAQBCXSJSFDOSN-UHFFFAOYSA-N
Hvpx_FAQBCXSJSFDOSN_UHFFFAOYSA_N =  6.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FAQBCXSJSFDOSN_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FAQBCXSJSFDOSN_UHFFFAOYSA_N =  6.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC1313OOH
! formula:  C_{13}H_{21}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: AIWUKZRYSUWIQN-UHFFFAOYSA-N
Hvpx_AIWUKZRYSUWIQN_UHFFFAOYSA_N =  2.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_AIWUKZRYSUWIQN_UHFFFAOYSA_N =  6.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_AIWUKZRYSUWIQN_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C136PAN
! formula:  C_{14}H_{21}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: HVYQJFOLIDVKQK-UHFFFAOYSA-N
Hvpx_HVYQJFOLIDVKQK_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HVYQJFOLIDVKQK_UHFFFAOYSA_N =  3.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HVYQJFOLIDVKQK_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C42AOH
! formula:  C_3H_5NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CQVFGUOZVNZZAM-UHFFFAOYSA-N
Hvpx_CQVFGUOZVNZZAM_UHFFFAOYSA_N =  3.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CQVFGUOZVNZZAM_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CQVFGUOZVNZZAM_UHFFFAOYSA_N =  9.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HCOCOHPAN
! formula:  C_3H_3NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: GGQYFRDCXKQQIA-UHFFFAOYSA-N
Hvpx_GGQYFRDCXKQQIA_UHFFFAOYSA_N =  4.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GGQYFRDCXKQQIA_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GGQYFRDCXKQQIA_UHFFFAOYSA_N =  2.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C41NO3
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: SGYMVPWBXCYWGY-UHFFFAOYSA-N
Hvpx_SGYMVPWBXCYWGY_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SGYMVPWBXCYWGY_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SGYMVPWBXCYWGY_UHFFFAOYSA_N =  5.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C42OH
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: OIAGCOLJHCONRV-UHFFFAOYSA-N
Hvpx_OIAGCOLJHCONRV_UHFFFAOYSA_N =  3.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OIAGCOLJHCONRV_UHFFFAOYSA_N =  3.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OIAGCOLJHCONRV_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C42OOH
! formula:  C_4H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KUKJNXCETLVUQA-UHFFFAOYSA-N
Hvpx_KUKJNXCETLVUQA_UHFFFAOYSA_N =  4.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KUKJNXCETLVUQA_UHFFFAOYSA_N =  3.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KUKJNXCETLVUQA_UHFFFAOYSA_N =  3.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4OCCOHNO3
! formula:  C_4H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NEHFOAWUQWHZTI-UHFFFAOYSA-N
Hvpx_NEHFOAWUQWHZTI_UHFFFAOYSA_N =  3.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NEHFOAWUQWHZTI_UHFFFAOYSA_N =  5.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NEHFOAWUQWHZTI_UHFFFAOYSA_N =  3.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COCCOHNO3
! formula:  C_4H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HMCDHWALZVCNKO-UHFFFAOYSA-N
Hvpx_HMCDHWALZVCNKO_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HMCDHWALZVCNKO_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HMCDHWALZVCNKO_UHFFFAOYSA_N =  8.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COHM2PAN
! formula:  C_4H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: UXUAXYPQPQSXRR-UHFFFAOYSA-N
Hvpx_UXUAXYPQPQSXRR_UHFFFAOYSA_N =  8.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UXUAXYPQPQSXRR_UHFFFAOYSA_N =  2.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UXUAXYPQPQSXRR_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MACRNB
! formula:  C_4H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DLZDCWJOERFHAS-UHFFFAOYSA-N
Hvpx_DLZDCWJOERFHAS_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DLZDCWJOERFHAS_UHFFFAOYSA_N =  4.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DLZDCWJOERFHAS_UHFFFAOYSA_N =  5.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MACRNO3
! formula:  C_4H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ALINXPRBVMXOGH-UHFFFAOYSA-N
Hvpx_ALINXPRBVMXOGH_UHFFFAOYSA_N =  2.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ALINXPRBVMXOGH_UHFFFAOYSA_N =  7.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ALINXPRBVMXOGH_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4M2ALOHNO3
! formula:  C_5H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UOGOTHSJBRKVRR-UHFFFAOYSA-N
Hvpx_UOGOTHSJBRKVRR_UHFFFAOYSA_N =  6.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UOGOTHSJBRKVRR_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UOGOTHSJBRKVRR_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C510OH
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZCOZZYNQPKXJEJ-UHFFFAOYSA-N
Hvpx_ZCOZZYNQPKXJEJ_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZCOZZYNQPKXJEJ_UHFFFAOYSA_N =  4.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZCOZZYNQPKXJEJ_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C510OOH
! formula:  C_5H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: GGBWELVRYZRQMP-UHFFFAOYSA-N
Hvpx_GGBWELVRYZRQMP_UHFFFAOYSA_N =  7.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GGBWELVRYZRQMP_UHFFFAOYSA_N =  3.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GGBWELVRYZRQMP_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C57NO3
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KHAJTJUOMDNQGW-UHFFFAOYSA-N
Hvpx_KHAJTJUOMDNQGW_UHFFFAOYSA_N =  2.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KHAJTJUOMDNQGW_UHFFFAOYSA_N =  4.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KHAJTJUOMDNQGW_UHFFFAOYSA_N =  8.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C58NO3
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UZUIBKBJXOKLGO-UHFFFAOYSA-N
Hvpx_UZUIBKBJXOKLGO_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UZUIBKBJXOKLGO_UHFFFAOYSA_N =  5.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UZUIBKBJXOKLGO_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNC524CO
! formula:  C_5H_8N_2O_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: WXHJTLSKHGDJHS-UHFFFAOYSA-N
Hvpx_WXHJTLSKHGDJHS_UHFFFAOYSA_N =  7.7E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_WXHJTLSKHGDJHS_UHFFFAOYSA_N =  5.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WXHJTLSKHGDJHS_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HNC524CO
! formula:  C_5H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: UHQMTOKWUFCERL-UHFFFAOYSA-N
Hvpx_UHQMTOKWUFCERL_UHFFFAOYSA_N =  1.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UHQMTOKWUFCERL_UHFFFAOYSA_N =  3.7E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_UHQMTOKWUFCERL_UHFFFAOYSA_N =  9.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HPNC524CO
! formula:  C_5H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: QASKBBWYYSGCPQ-UHFFFAOYSA-N
Hvpx_QASKBBWYYSGCPQ_UHFFFAOYSA_N =  1.2E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_QASKBBWYYSGCPQ_UHFFFAOYSA_N =  3.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_QASKBBWYYSGCPQ_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INAHCHO
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: GJDCYRXOLZPRRL-UHFFFAOYSA-N
Hvpx_GJDCYRXOLZPRRL_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GJDCYRXOLZPRRL_UHFFFAOYSA_N =  3.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GJDCYRXOLZPRRL_UHFFFAOYSA_N =  4.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INAHPCHO
! formula:  C_5H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: WOIAKHQAPCBXNP-UHFFFAOYSA-N
Hvpx_WOIAKHQAPCBXNP_UHFFFAOYSA_N =  3.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WOIAKHQAPCBXNP_UHFFFAOYSA_N =  2.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WOIAKHQAPCBXNP_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INANCHO
! formula:  C_5H_8N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: AOWQROMNZIXQRL-UHFFFAOYSA-N
Hvpx_AOWQROMNZIXQRL_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AOWQROMNZIXQRL_UHFFFAOYSA_N =  3.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AOWQROMNZIXQRL_UHFFFAOYSA_N =  8.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1HPCHO
! formula:  C_5H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: PPUPDRIHXISUBS-UHFFFAOYSA-N
Hvpx_PPUPDRIHXISUBS_UHFFFAOYSA_N =  4.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PPUPDRIHXISUBS_UHFFFAOYSA_N =  2.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PPUPDRIHXISUBS_UHFFFAOYSA_N =  3.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1NACHO
! formula:  C_5H_8N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: FPDRKJBIBBHIBW-UHFFFAOYSA-N
Hvpx_FPDRKJBIBBHIBW_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FPDRKJBIBBHIBW_UHFFFAOYSA_N =  7.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FPDRKJBIBBHIBW_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1NBCHO
! formula:  C_5H_8N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: DIJODJNNHWDXRN-UHFFFAOYSA-N
Hvpx_DIJODJNNHWDXRN_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DIJODJNNHWDXRN_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DIJODJNNHWDXRN_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INCNCHO
! formula:  C_5H_8N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: QYWHAZCEYLWYSZ-UHFFFAOYSA-N
Hvpx_QYWHAZCEYLWYSZ_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QYWHAZCEYLWYSZ_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QYWHAZCEYLWYSZ_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INDHCHO
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LXJORHVMGZGMRK-UHFFFAOYSA-N
Hvpx_LXJORHVMGZGMRK_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LXJORHVMGZGMRK_UHFFFAOYSA_N =  3.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LXJORHVMGZGMRK_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INDHPCHO
! formula:  C_5H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: NKPKKBYOCYFEQQ-UHFFFAOYSA-N
Hvpx_NKPKKBYOCYFEQQ_UHFFFAOYSA_N =  4.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_NKPKKBYOCYFEQQ_UHFFFAOYSA_N =  4.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NKPKKBYOCYFEQQ_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMALNACO3H
! formula:  C_5H_7NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: WWJYGONDDIBFHK-UHFFFAOYSA-N
Hvpx_WWJYGONDDIBFHK_UHFFFAOYSA_N =  5.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WWJYGONDDIBFHK_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WWJYGONDDIBFHK_UHFFFAOYSA_N =  6.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMALNAPAN
! formula:  C_5H_6N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: JNHZFZYBXYVXPX-UHFFFAOYSA-N
Hvpx_JNHZFZYBXYVXPX_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JNHZFZYBXYVXPX_UHFFFAOYSA_N =  9.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_JNHZFZYBXYVXPX_UHFFFAOYSA_N =  2.4E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMALNBCO3H
! formula:  C_5H_7NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: ASZGKTQVJXPLHM-UHFFFAOYSA-N
Hvpx_ASZGKTQVJXPLHM_UHFFFAOYSA_N =  5.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ASZGKTQVJXPLHM_UHFFFAOYSA_N =  1.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ASZGKTQVJXPLHM_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMALNBPAN
! formula:  C_5H_6N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: QNDDWZGVLTYMIK-UHFFFAOYSA-N
Hvpx_QNDDWZGVLTYMIK_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QNDDWZGVLTYMIK_UHFFFAOYSA_N =  4.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QNDDWZGVLTYMIK_UHFFFAOYSA_N =  4.8E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMBOBCO
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZWLCCOCHHFERQT-UHFFFAOYSA-N
Hvpx_ZWLCCOCHHFERQT_UHFFFAOYSA_N =  3.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZWLCCOCHHFERQT_UHFFFAOYSA_N =  2.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZWLCCOCHHFERQT_UHFFFAOYSA_N =  3.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1H4C5PAN
! formula:  C_6H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: XKXYOEFJYDLELH-UHFFFAOYSA-N
Hvpx_XKXYOEFJYDLELH_UHFFFAOYSA_N =  9.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XKXYOEFJYDLELH_UHFFFAOYSA_N =  2.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XKXYOEFJYDLELH_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C623NO3
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UTKYBRKMQKBGOV-UHFFFAOYSA-N
Hvpx_UTKYBRKMQKBGOV_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UTKYBRKMQKBGOV_UHFFFAOYSA_N =  9.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UTKYBRKMQKBGOV_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C67NO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MTROCBFSNOSSFX-UHFFFAOYSA-N
Hvpx_MTROCBFSNOSSFX_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MTROCBFSNOSSFX_UHFFFAOYSA_N =  7.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MTROCBFSNOSSFX_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C68NO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DFCRZDMTYDUCKH-UHFFFAOYSA-N
Hvpx_DFCRZDMTYDUCKH_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DFCRZDMTYDUCKH_UHFFFAOYSA_N =  8.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DFCRZDMTYDUCKH_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO1H63NO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QWPYKWKOPQKYFO-UHFFFAOYSA-N
Hvpx_QWPYKWKOPQKYFO_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QWPYKWKOPQKYFO_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QWPYKWKOPQKYFO_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC623OH
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LIALSLHETRNECK-UHFFFAOYSA-N
Hvpx_LIALSLHETRNECK_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LIALSLHETRNECK_UHFFFAOYSA_N =  2.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LIALSLHETRNECK_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC623OOH
! formula:  C_6H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: LUCHFEJMQFYPEG-UHFFFAOYSA-N
Hvpx_LUCHFEJMQFYPEG_UHFFFAOYSA_N =  5.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_LUCHFEJMQFYPEG_UHFFFAOYSA_N =  9.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LUCHFEJMQFYPEG_UHFFFAOYSA_N =  7.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C728NO3
! formula:  C_7H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CDBHNFBQKSTCON-UHFFFAOYSA-N
Hvpx_CDBHNFBQKSTCON_UHFFFAOYSA_N =  3.7E-09 * EXP( -17000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_CDBHNFBQKSTCON_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CDBHNFBQKSTCON_UHFFFAOYSA_N =  2.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CDBHNFBQKSTCON_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C730NO3
! formula:  C_7H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: RVWIAVBELSCRER-UHFFFAOYSA-N
Hvpx_RVWIAVBELSCRER_UHFFFAOYSA_N =  1.6E-10 * EXP( -17000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_RVWIAVBELSCRER_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RVWIAVBELSCRER_UHFFFAOYSA_N =  4.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RVWIAVBELSCRER_UHFFFAOYSA_N =  5.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC728OH
! formula:  C_7H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: RMGZPHZIJLBXBA-UHFFFAOYSA-N
Hvpx_RMGZPHZIJLBXBA_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RMGZPHZIJLBXBA_UHFFFAOYSA_N =  1.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RMGZPHZIJLBXBA_UHFFFAOYSA_N =  5.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC728OOH
! formula:  C_7H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: NMPAVXKBWDGSMK-UHFFFAOYSA-N
Hvpx_NMPAVXKBWDGSMK_UHFFFAOYSA_N =  7.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_NMPAVXKBWDGSMK_UHFFFAOYSA_N =  2.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_NMPAVXKBWDGSMK_UHFFFAOYSA_N =  2.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC730OH
! formula:  C_7H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZPFRZNAADTZJOS-UHFFFAOYSA-N
Hvpx_ZPFRZNAADTZJOS_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ZPFRZNAADTZJOS_UHFFFAOYSA_N =  2.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZPFRZNAADTZJOS_UHFFFAOYSA_N =  3.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC730OOH
! formula:  C_7H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: LJYXGYOAXKBDIY-UHFFFAOYSA-N
Hvpx_LJYXGYOAXKBDIY_UHFFFAOYSA_N =  7.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_LJYXGYOAXKBDIY_UHFFFAOYSA_N =  2.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_LJYXGYOAXKBDIY_UHFFFAOYSA_N =  9.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C826NO3
! formula:  C_8H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: HYUHCBAMOFNBPC-UHFFFAOYSA-N
Hvpx_HYUHCBAMOFNBPC_UHFFFAOYSA_N =  5.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_HYUHCBAMOFNBPC_UHFFFAOYSA_N =  1.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_HYUHCBAMOFNBPC_UHFFFAOYSA_N =  9.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC826OH
! formula:  C_8H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: UXZRCYKYQRKKOI-UHFFFAOYSA-N
Hvpx_UXZRCYKYQRKKOI_UHFFFAOYSA_N =  5.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_UXZRCYKYQRKKOI_UHFFFAOYSA_N =  8.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UXZRCYKYQRKKOI_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C127NO3
! formula:  C_{12}H_{19}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RZJFRKYKWJUXLW-UHFFFAOYSA-N
Hvpx_RZJFRKYKWJUXLW_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RZJFRKYKWJUXLW_UHFFFAOYSA_N =  3.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RZJFRKYKWJUXLW_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1311NO3
! formula:  C_{13}H_{21}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HIIZKUNLVYOKLJ-UHFFFAOYSA-N
Hvpx_HIIZKUNLVYOKLJ_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HIIZKUNLVYOKLJ_UHFFFAOYSA_N =  3.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HIIZKUNLVYOKLJ_UHFFFAOYSA_N =  5.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1313NO3
! formula:  C_{13}H_{21}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: SXMORIYKGFOKAB-UHFFFAOYSA-N
Hvpx_SXMORIYKGFOKAB_UHFFFAOYSA_N =  6.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SXMORIYKGFOKAB_UHFFFAOYSA_N =  9.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_SXMORIYKGFOKAB_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC1313OH
! formula:  C_{13}H_{21}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: RAUQQNONBFDDJB-UHFFFAOYSA-N
Hvpx_RAUQQNONBFDDJB_UHFFFAOYSA_N =  6.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RAUQQNONBFDDJB_UHFFFAOYSA_N =  8.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RAUQQNONBFDDJB_UHFFFAOYSA_N =  9.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3NO3COOOH
! formula:  C_3H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JXBSDKIVLYRFTK-UHFFFAOYSA-N
Hvpx_JXBSDKIVLYRFTK_UHFFFAOYSA_N =  9.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JXBSDKIVLYRFTK_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JXBSDKIVLYRFTK_UHFFFAOYSA_N =  2.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3COPAN
! formula:  C_3H_3NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BNYSUSDQQIWDSZ-UHFFFAOYSA-N
Hvpx_BNYSUSDQQIWDSZ_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BNYSUSDQQIWDSZ_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BNYSUSDQQIWDSZ_UHFFFAOYSA_N =  2.5E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BUTONENO3
! formula:  C_4H_7NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KFRUNLQRYXGRRS-UHFFFAOYSA-N
Hvpx_KFRUNLQRYXGRRS_UHFFFAOYSA_N =  7.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KFRUNLQRYXGRRS_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KFRUNLQRYXGRRS_UHFFFAOYSA_N =  7.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO23C4NO3
! formula:  C_4H_5NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RSORCZUYAJEINP-UHFFFAOYSA-N
Hvpx_RSORCZUYAJEINP_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RSORCZUYAJEINP_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RSORCZUYAJEINP_UHFFFAOYSA_N =  7.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2C3PAN
! formula:  C_4H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VXGDXYQGFKIYIJ-UHFFFAOYSA-N
Hvpx_VXGDXYQGFKIYIJ_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VXGDXYQGFKIYIJ_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VXGDXYQGFKIYIJ_UHFFFAOYSA_N =  4.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2N3CO3H
! formula:  C_4H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: PLOOSZKRSUJKKF-UHFFFAOYSA-N
Hvpx_PLOOSZKRSUJKKF_UHFFFAOYSA_N =  8.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PLOOSZKRSUJKKF_UHFFFAOYSA_N =  9.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PLOOSZKRSUJKKF_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2N3PAN
! formula:  C_4H_4N_2O_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: RXUYCSQEPKEYNB-UHFFFAOYSA-N
Hvpx_RXUYCSQEPKEYNB_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RXUYCSQEPKEYNB_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RXUYCSQEPKEYNB_UHFFFAOYSA_N =  2.3E+02                                  ! [atm] type: Q, ref: 3409

! species:  2-oxobutyl nitrate
! formula:  C_4H_7NO_4
! trivial:  
! casrn:    138779-12-1
! inchikey: OVISQPFXRZOZFI-UHFFFAOYSA-N
Hvpx__138779_12_1 =  9.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx__138779_12_1 =  9.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx__138779_12_1 =  1.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COC4NO3OOH
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: AEHFBVVGPAXMNG-UHFFFAOYSA-N
Hvpx_AEHFBVVGPAXMNG_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AEHFBVVGPAXMNG_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AEHFBVVGPAXMNG_UHFFFAOYSA_N =  5.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MEKANO3
! formula:  C_4H_7NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SQFMCLNZTZWUJY-UHFFFAOYSA-N
Hvpx_SQFMCLNZTZWUJY_UHFFFAOYSA_N =  9.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SQFMCLNZTZWUJY_UHFFFAOYSA_N =  4.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SQFMCLNZTZWUJY_UHFFFAOYSA_N =  6.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMVK
! formula:  C_4H_5NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YTEQPVIDLVIVHW-UHFFFAOYSA-N
Hvpx_YTEQPVIDLVIVHW_UHFFFAOYSA_N =  3.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YTEQPVIDLVIVHW_UHFFFAOYSA_N =  5.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YTEQPVIDLVIVHW_UHFFFAOYSA_N =  1.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4M2NO3ONE
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DIMIHFOKCQZMGY-UHFFFAOYSA-N
Hvpx_DIMIHFOKCQZMGY_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_DIMIHFOKCQZMGY_UHFFFAOYSA_N =  7.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DIMIHFOKCQZMGY_UHFFFAOYSA_N =  9.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4M3NO3ONE
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SAHLZHFOPIFWKH-UHFFFAOYSA-N
Hvpx_SAHLZHFOPIFWKH_UHFFFAOYSA_N =  9.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SAHLZHFOPIFWKH_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SAHLZHFOPIFWKH_UHFFFAOYSA_N =  3.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4MCNO3OOH
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: AOCDDMVLVLTZNT-UHFFFAOYSA-N
Hvpx_AOCDDMVLVLTZNT_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AOCDDMVLVLTZNT_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AOCDDMVLVLTZNT_UHFFFAOYSA_N =  2.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C51NO324CO
! formula:  C_5H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KIDZPQUIRFWTHY-UHFFFAOYSA-N
Hvpx_KIDZPQUIRFWTHY_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KIDZPQUIRFWTHY_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KIDZPQUIRFWTHY_UHFFFAOYSA_N =  6.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C51NO32CO
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: TTZVKGPORDTQGG-UHFFFAOYSA-N
Hvpx_TTZVKGPORDTQGG_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_TTZVKGPORDTQGG_UHFFFAOYSA_N =  1.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_TTZVKGPORDTQGG_UHFFFAOYSA_N =  2.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C52NO33CO
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VOCQUTRGVIAJPG-UHFFFAOYSA-N
Hvpx_VOCQUTRGVIAJPG_UHFFFAOYSA_N =  9.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VOCQUTRGVIAJPG_UHFFFAOYSA_N =  3.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VOCQUTRGVIAJPG_UHFFFAOYSA_N =  8.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C53NO324CO
! formula:  C_5H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QYJXVKSLJJQONK-UHFFFAOYSA-N
Hvpx_QYJXVKSLJJQONK_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QYJXVKSLJJQONK_UHFFFAOYSA_N =  7.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QYJXVKSLJJQONK_UHFFFAOYSA_N =  4.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C53NO32CO
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LVGYWFUEHRGRSS-UHFFFAOYSA-N
Hvpx_LVGYWFUEHRGRSS_UHFFFAOYSA_N =  9.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LVGYWFUEHRGRSS_UHFFFAOYSA_N =  3.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LVGYWFUEHRGRSS_UHFFFAOYSA_N =  7.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CONO3OOH
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZDTBCADGPXXLKE-UHFFFAOYSA-N
Hvpx_ZDTBCADGPXXLKE_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDTBCADGPXXLKE_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDTBCADGPXXLKE_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5COO2NO2
! formula:  C_5H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BZPLAICQOBBIOR-UHFFFAOYSA-N
Hvpx_BZPLAICQOBBIOR_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BZPLAICQOBBIOR_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_BZPLAICQOBBIOR_UHFFFAOYSA_N =  1.2E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5NO3O4OOH
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CASCWEIOXSCVGJ-UHFFFAOYSA-N
Hvpx_CASCWEIOXSCVGJ_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CASCWEIOXSCVGJ_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CASCWEIOXSCVGJ_UHFFFAOYSA_N =  5.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5NO3OAOOH
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: FLHIUJMTRYIPLY-UHFFFAOYSA-N
Hvpx_FLHIUJMTRYIPLY_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FLHIUJMTRYIPLY_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FLHIUJMTRYIPLY_UHFFFAOYSA_N =  4.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5ONO34OOH
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LOZNRBAEPWQBFW-UHFFFAOYSA-N
Hvpx_LOZNRBAEPWQBFW_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LOZNRBAEPWQBFW_UHFFFAOYSA_N =  3.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LOZNRBAEPWQBFW_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN16
! formula:  C_5H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: IZEBTYZDWKBBFQ-UHFFFAOYSA-N
Hvpx_IZEBTYZDWKBBFQ_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IZEBTYZDWKBBFQ_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IZEBTYZDWKBBFQ_UHFFFAOYSA_N =  9.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN2
! formula:  C_5H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: XMORPXKVSPHXDA-UHFFFAOYSA-N
Hvpx_XMORPXKVSPHXDA_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XMORPXKVSPHXDA_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XMORPXKVSPHXDA_UHFFFAOYSA_N =  1.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN7
! formula:  C_5H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VONRVKPFQAOOPX-UHFFFAOYSA-N
Hvpx_VONRVKPFQAOOPX_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VONRVKPFQAOOPX_UHFFFAOYSA_N =  3.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VONRVKPFQAOOPX_UHFFFAOYSA_N =  1.8E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5PAN9
! formula:  C_5H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: HJZPHZLLKGPYCO-UHFFFAOYSA-N
Hvpx_HJZPHZLLKGPYCO_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HJZPHZLLKGPYCO_UHFFFAOYSA_N =  2.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HJZPHZLLKGPYCO_UHFFFAOYSA_N =  1.0E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DIEKBNO3
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WKTFKAAKLZJYGP-UHFFFAOYSA-N
Hvpx_WKTFKAAKLZJYGP_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_WKTFKAAKLZJYGP_UHFFFAOYSA_N =  9.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WKTFKAAKLZJYGP_UHFFFAOYSA_N =  9.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INANCOCO3H
! formula:  C_5H_6N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: OKQCOTADQFFQES-UHFFFAOYSA-N
Hvpx_OKQCOTADQFFQES_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_OKQCOTADQFFQES_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OKQCOTADQFFQES_UHFFFAOYSA_N =  4.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INANCOPAN
! formula:  C_5H_5N_3O_{12}
! trivial:  
! casrn:    UNKNOWN
! inchikey: OHHXWPYTKFCNFA-UHFFFAOYSA-N
Hvpx_OHHXWPYTKFCNFA_UHFFFAOYSA_N =  2.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_OHHXWPYTKFCNFA_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OHHXWPYTKFCNFA_UHFFFAOYSA_N =  6.9E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIPKBNO3
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PNKPSVUHDDVFRC-UHFFFAOYSA-N
Hvpx_PNKPSVUHDDVFRC_UHFFFAOYSA_N =  9.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PNKPSVUHDDVFRC_UHFFFAOYSA_N =  9.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PNKPSVUHDDVFRC_UHFFFAOYSA_N =  8.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MPRKNO3
! formula:  C_5H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GMHWHQCXUOCSQQ-UHFFFAOYSA-N
Hvpx_GMHWHQCXUOCSQQ_UHFFFAOYSA_N =  9.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GMHWHQCXUOCSQQ_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GMHWHQCXUOCSQQ_UHFFFAOYSA_N =  1.2E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3COCPAN
! formula:  C_6H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: QAGGXZNGFPYUOO-UHFFFAOYSA-N
Hvpx_QAGGXZNGFPYUOO_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QAGGXZNGFPYUOO_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QAGGXZNGFPYUOO_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4MCODBPAN
! formula:  C_6H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: OBEVNDXPXGMJPT-UHFFFAOYSA-N
Hvpx_OBEVNDXPXGMJPT_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OBEVNDXPXGMJPT_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OBEVNDXPXGMJPT_UHFFFAOYSA_N =  3.8E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C62NO335CO
! formula:  C_6H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ABDNFJAHWTWRFH-UHFFFAOYSA-N
Hvpx_ABDNFJAHWTWRFH_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ABDNFJAHWTWRFH_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ABDNFJAHWTWRFH_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C62NO33CO
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OBVLXHVNJQTRAU-UHFFFAOYSA-N
Hvpx_OBVLXHVNJQTRAU_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_OBVLXHVNJQTRAU_UHFFFAOYSA_N =  5.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OBVLXHVNJQTRAU_UHFFFAOYSA_N =  1.2E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C63NO32CO
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QSKMGJAWRGUYGL-UHFFFAOYSA-N
Hvpx_QSKMGJAWRGUYGL_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_QSKMGJAWRGUYGL_UHFFFAOYSA_N =  4.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_QSKMGJAWRGUYGL_UHFFFAOYSA_N =  9.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C64NO335CO
! formula:  C_6H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CHGSCHAFWLLPDM-UHFFFAOYSA-N
Hvpx_CHGSCHAFWLLPDM_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CHGSCHAFWLLPDM_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CHGSCHAFWLLPDM_UHFFFAOYSA_N =  6.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C66NO35CO
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NNYDFJRPKYRBEY-UHFFFAOYSA-N
Hvpx_NNYDFJRPKYRBEY_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_NNYDFJRPKYRBEY_UHFFFAOYSA_N =  2.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NNYDFJRPKYRBEY_UHFFFAOYSA_N =  4.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO134PAN
! formula:  C_6H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: OIZONYBQGYIWDV-UHFFFAOYSA-N
Hvpx_OIZONYBQGYIWDV_UHFFFAOYSA_N =  4.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OIZONYBQGYIWDV_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OIZONYBQGYIWDV_UHFFFAOYSA_N =  2.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CONO3OOH
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JAMSWIXAFBYGGR-UHFFFAOYSA-N
Hvpx_JAMSWIXAFBYGGR_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JAMSWIXAFBYGGR_UHFFFAOYSA_N =  4.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JAMSWIXAFBYGGR_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6DCARBPAN
! formula:  C_6H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: QTAROYORLXCHIO-UHFFFAOYSA-N
Hvpx_QTAROYORLXCHIO_UHFFFAOYSA_N =  7.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QTAROYORLXCHIO_UHFFFAOYSA_N =  3.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QTAROYORLXCHIO_UHFFFAOYSA_N =  1.8E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6NO324CO
! formula:  C_6H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZLHGCQIPJTVAEP-UHFFFAOYSA-N
Hvpx_ZLHGCQIPJTVAEP_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLHGCQIPJTVAEP_UHFFFAOYSA_N =  5.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZLHGCQIPJTVAEP_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6NO3COOOH
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: HQTZSBFILMVSJZ-UHFFFAOYSA-N
Hvpx_HQTZSBFILMVSJZ_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HQTZSBFILMVSJZ_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HQTZSBFILMVSJZ_UHFFFAOYSA_N =  9.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN12
! formula:  C_6H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LSIJQLAUAXHOJI-UHFFFAOYSA-N
Hvpx_LSIJQLAUAXHOJI_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LSIJQLAUAXHOJI_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LSIJQLAUAXHOJI_UHFFFAOYSA_N =  2.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN16
! formula:  C_6H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JDUNWYCOIXFXGK-UHFFFAOYSA-N
Hvpx_JDUNWYCOIXFXGK_UHFFFAOYSA_N =  4.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JDUNWYCOIXFXGK_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JDUNWYCOIXFXGK_UHFFFAOYSA_N =  3.0E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN2
! formula:  C_6H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BSRDZZSTWMTZHH-UHFFFAOYSA-N
Hvpx_BSRDZZSTWMTZHH_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BSRDZZSTWMTZHH_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BSRDZZSTWMTZHH_UHFFFAOYSA_N =  1.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN5
! formula:  C_6H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: AYORGEAGFIRFHW-UHFFFAOYSA-N
Hvpx_AYORGEAGFIRFHW_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AYORGEAGFIRFHW_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AYORGEAGFIRFHW_UHFFFAOYSA_N =  1.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN6
! formula:  C_6H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: STXATUQYWORJHN-UHFFFAOYSA-N
Hvpx_STXATUQYWORJHN_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_STXATUQYWORJHN_UHFFFAOYSA_N =  8.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_STXATUQYWORJHN_UHFFFAOYSA_N =  3.7E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN7
! formula:  C_6H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: FEUNFERSGUKVTQ-UHFFFAOYSA-N
Hvpx_FEUNFERSGUKVTQ_UHFFFAOYSA_N =  4.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FEUNFERSGUKVTQ_UHFFFAOYSA_N =  5.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FEUNFERSGUKVTQ_UHFFFAOYSA_N =  2.0E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CONO3C6OOH
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: BPHZXGKZHPQLPB-UHFFFAOYSA-N
Hvpx_BPHZXGKZHPQLPB_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BPHZXGKZHPQLPB_UHFFFAOYSA_N =  7.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BPHZXGKZHPQLPB_UHFFFAOYSA_N =  3.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CYHXONANO3
! formula:  C_6H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VLCBNIODXGFPBM-UHFFFAOYSA-N
Hvpx_VLCBNIODXGFPBM_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VLCBNIODXGFPBM_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VLCBNIODXGFPBM_UHFFFAOYSA_N =  5.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ECO3PAN
! formula:  C_6H_5NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: GLZSBLKUFXIYNN-UHFFFAOYSA-N
Hvpx_GLZSBLKUFXIYNN_UHFFFAOYSA_N =  7.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GLZSBLKUFXIYNN_UHFFFAOYSA_N =  1.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GLZSBLKUFXIYNN_UHFFFAOYSA_N =  1.6E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EIPKBNO3
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QPLZWEVCYZLYTL-UHFFFAOYSA-N
Hvpx_QPLZWEVCYZLYTL_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_QPLZWEVCYZLYTL_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_QPLZWEVCYZLYTL_UHFFFAOYSA_N =  2.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX2ONANO3
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OZSNHPHDGAJMHG-UHFFFAOYSA-N
Hvpx_OZSNHPHDGAJMHG_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_OZSNHPHDGAJMHG_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OZSNHPHDGAJMHG_UHFFFAOYSA_N =  2.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX2ONBNO3
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JYVFNKYOALTNTA-UHFFFAOYSA-N
Hvpx_JYVFNKYOALTNTA_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_JYVFNKYOALTNTA_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JYVFNKYOALTNTA_UHFFFAOYSA_N =  5.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX3ONANO3
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KTYGBCIWLHIEKP-UHFFFAOYSA-N
Hvpx_KTYGBCIWLHIEKP_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KTYGBCIWLHIEKP_UHFFFAOYSA_N =  2.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KTYGBCIWLHIEKP_UHFFFAOYSA_N =  1.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HEX3ONDNO3
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PRTKDFINSKNZSU-UHFFFAOYSA-N
Hvpx_PRTKDFINSKNZSU_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_PRTKDFINSKNZSU_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PRTKDFINSKNZSU_UHFFFAOYSA_N =  8.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:M2BKANO3
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NYAAKBDXIQFYDD-UHFFFAOYSA-N
Hvpx_NYAAKBDXIQFYDD_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_NYAAKBDXIQFYDD_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NYAAKBDXIQFYDD_UHFFFAOYSA_N =  1.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MC4CODBPAN
! formula:  C_6H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: WHFHKQLMYAOVSY-UHFFFAOYSA-N
Hvpx_WHFHKQLMYAOVSY_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WHFHKQLMYAOVSY_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WHFHKQLMYAOVSY_UHFFFAOYSA_N =  2.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBKANO3
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PKJJSCYTBLHEMI-UHFFFAOYSA-N
Hvpx_PKJJSCYTBLHEMI_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_PKJJSCYTBLHEMI_UHFFFAOYSA_N =  3.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PKJJSCYTBLHEMI_UHFFFAOYSA_N =  3.2E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBKNO3
! formula:  C_6H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OYSBYTCKEAIMOW-UHFFFAOYSA-N
Hvpx_OYSBYTCKEAIMOW_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_OYSBYTCKEAIMOW_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OYSBYTCKEAIMOW_UHFFFAOYSA_N =  1.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBZQOOH
! formula:  C_6H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: NXGPVQDYDGLWQQ-UHFFFAOYSA-N
Hvpx_NXGPVQDYDGLWQQ_UHFFFAOYSA_N =  1.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_NXGPVQDYDGLWQQ_UHFFFAOYSA_N =  9.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_NXGPVQDYDGLWQQ_UHFFFAOYSA_N =  3.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C627PAN
! formula:  C_7H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: FQVTWXYWQQSSRX-UHFFFAOYSA-N
Hvpx_FQVTWXYWQQSSRX_UHFFFAOYSA_N =  6.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FQVTWXYWQQSSRX_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FQVTWXYWQQSSRX_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7ADCPAN
! formula:  C_7H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: OFKNKTFVVCSQBW-UHFFFAOYSA-N
Hvpx_OFKNKTFVVCSQBW_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OFKNKTFVVCSQBW_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OFKNKTFVVCSQBW_UHFFFAOYSA_N =  6.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7DCPAN
! formula:  C_7H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZGBUEZLBCHGZPP-UHFFFAOYSA-N
Hvpx_ZGBUEZLBCHGZPP_UHFFFAOYSA_N =  9.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZGBUEZLBCHGZPP_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZGBUEZLBCHGZPP_UHFFFAOYSA_N =  4.0E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7DDCPAN
! formula:  C_7H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: WCHGYJHJZMHIAR-UHFFFAOYSA-N
Hvpx_WCHGYJHJZMHIAR_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WCHGYJHJZMHIAR_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WCHGYJHJZMHIAR_UHFFFAOYSA_N =  9.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7PAN3
! formula:  C_7H_7NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: XMNXEIJPBOBVEP-UHFFFAOYSA-N
Hvpx_XMNXEIJPBOBVEP_UHFFFAOYSA_N =  8.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_XMNXEIJPBOBVEP_UHFFFAOYSA_N =  3.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XMNXEIJPBOBVEP_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IC7DCPAN
! formula:  C_7H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: NZLPHNCQTJFNGH-UHFFFAOYSA-N
Hvpx_NZLPHNCQTJFNGH_UHFFFAOYSA_N =  8.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NZLPHNCQTJFNGH_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NZLPHNCQTJFNGH_UHFFFAOYSA_N =  6.7E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC71CO
! formula:  C_7H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CDHAVACRDDMHGZ-UHFFFAOYSA-N
Hvpx_CDHAVACRDDMHGZ_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CDHAVACRDDMHGZ_UHFFFAOYSA_N =  2.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CDHAVACRDDMHGZ_UHFFFAOYSA_N =  4.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC71OOH
! formula:  C_7H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: CIJBWMVCSXGACJ-UHFFFAOYSA-N
Hvpx_CIJBWMVCSXGACJ_UHFFFAOYSA_N =  1.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CIJBWMVCSXGACJ_UHFFFAOYSA_N =  3.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_CIJBWMVCSXGACJ_UHFFFAOYSA_N =  9.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC72OOH
! formula:  C_7H_7NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: RYHDNZNGTUJGAD-UHFFFAOYSA-N
Hvpx_RYHDNZNGTUJGAD_UHFFFAOYSA_N =  1.8E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_RYHDNZNGTUJGAD_UHFFFAOYSA_N =  1.5E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_RYHDNZNGTUJGAD_UHFFFAOYSA_N =  9.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPTLQOOH
! formula:  C_7H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: WIZJVJIMHIROQF-UHFFFAOYSA-N
Hvpx_WIZJVJIMHIROQF_UHFFFAOYSA_N =  2.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WIZJVJIMHIROQF_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WIZJVJIMHIROQF_UHFFFAOYSA_N =  9.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5DBEPAN
! formula:  C_8H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: OYOZKJOWUFGKRQ-UHFFFAOYSA-N
Hvpx_OYOZKJOWUFGKRQ_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OYOZKJOWUFGKRQ_UHFFFAOYSA_N =  4.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OYOZKJOWUFGKRQ_UHFFFAOYSA_N =  5.7E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5EDBPAN
! formula:  C_8H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KNPMBKOCKIUXFV-UHFFFAOYSA-N
Hvpx_KNPMBKOCKIUXFV_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KNPMBKOCKIUXFV_UHFFFAOYSA_N =  4.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KNPMBKOCKIUXFV_UHFFFAOYSA_N =  7.2E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C727PAN
! formula:  C_8H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: WBGZRMCIPBEEGH-UHFFFAOYSA-N
Hvpx_WBGZRMCIPBEEGH_UHFFFAOYSA_N =  6.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WBGZRMCIPBEEGH_UHFFFAOYSA_N =  7.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WBGZRMCIPBEEGH_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7CODBPAN
! formula:  C_8H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: QVHZZCVTEAGIPK-UHFFFAOYSA-N
Hvpx_QVHZZCVTEAGIPK_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QVHZZCVTEAGIPK_UHFFFAOYSA_N =  7.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QVHZZCVTEAGIPK_UHFFFAOYSA_N =  1.4E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C817NO3
! formula:  C_8H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZONZWPKPCIWKRN-UHFFFAOYSA-N
Hvpx_ZONZWPKPCIWKRN_UHFFFAOYSA_N =  1.4E-05 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_ZONZWPKPCIWKRN_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZONZWPKPCIWKRN_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZONZWPKPCIWKRN_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMXYQOOH
! formula:  C_8H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: MDRQMTCFLWPCNU-UHFFFAOYSA-N
Hvpx_MDRQMTCFLWPCNU_UHFFFAOYSA_N =  4.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MDRQMTCFLWPCNU_UHFFFAOYSA_N =  5.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MDRQMTCFLWPCNU_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOXYQOOH
! formula:  C_8H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: SFYCEAPRSKIFCS-UHFFFAOYSA-N
Hvpx_SFYCEAPRSKIFCS_UHFFFAOYSA_N =  3.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_SFYCEAPRSKIFCS_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_SFYCEAPRSKIFCS_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPEBQOOH
! formula:  C_8H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: HZFUWULOZSGVHH-UHFFFAOYSA-N
Hvpx_HZFUWULOZSGVHH_UHFFFAOYSA_N =  2.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HZFUWULOZSGVHH_UHFFFAOYSA_N =  2.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_HZFUWULOZSGVHH_UHFFFAOYSA_N =  9.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPXYQOOH
! formula:  C_8H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: LMPSHWMXIGVDOI-UHFFFAOYSA-N
Hvpx_LMPSHWMXIGVDOI_UHFFFAOYSA_N =  4.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_LMPSHWMXIGVDOI_UHFFFAOYSA_N =  5.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LMPSHWMXIGVDOI_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C816PAN
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JXXOSNUALVJMQL-UHFFFAOYSA-N
Hvpx_JXXOSNUALVJMQL_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JXXOSNUALVJMQL_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JXXOSNUALVJMQL_UHFFFAOYSA_N =  2.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C817PAN
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: AGDIJRUETYYZKI-UHFFFAOYSA-N
Hvpx_AGDIJRUETYYZKI_UHFFFAOYSA_N =  7.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AGDIJRUETYYZKI_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AGDIJRUETYYZKI_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C827PAN
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: QMDLSNSKOZAILD-UHFFFAOYSA-N
Hvpx_QMDLSNSKOZAILD_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QMDLSNSKOZAILD_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QMDLSNSKOZAILD_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C828PAN
! formula:  C_9H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: LCFHBKSAGMTDCX-UHFFFAOYSA-N
Hvpx_LCFHBKSAGMTDCX_UHFFFAOYSA_N =  1.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LCFHBKSAGMTDCX_UHFFFAOYSA_N =  4.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LCFHBKSAGMTDCX_UHFFFAOYSA_N =  4.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C88PAN
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KLGKHKJTYFCRCN-UHFFFAOYSA-N
Hvpx_KLGKHKJTYFCRCN_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KLGKHKJTYFCRCN_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KLGKHKJTYFCRCN_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C917NO3
! formula:  C_9H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KVWUPUMJPKRVQS-UHFFFAOYSA-N
Hvpx_KVWUPUMJPKRVQS_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KVWUPUMJPKRVQS_UHFFFAOYSA_N =  2.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KVWUPUMJPKRVQS_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C923NO3
! formula:  C_9H_{15}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JEWJQSHMOKPQHI-UHFFFAOYSA-N
Hvpx_JEWJQSHMOKPQHI_UHFFFAOYSA_N =  1.7E-02 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_JEWJQSHMOKPQHI_UHFFFAOYSA_N =  9.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JEWJQSHMOKPQHI_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JEWJQSHMOKPQHI_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C928NO3
! formula:  C_9H_{15}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HCHMIBGRYQMLLZ-UHFFFAOYSA-N
Hvpx_HCHMIBGRYQMLLZ_UHFFFAOYSA_N =  4.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HCHMIBGRYQMLLZ_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HCHMIBGRYQMLLZ_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C96NO3
! formula:  C_9H_{15}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MMTOEOITRCIZDG-UHFFFAOYSA-N
Hvpx_MMTOEOITRCIZDG_UHFFFAOYSA_N =  8.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MMTOEOITRCIZDG_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MMTOEOITRCIZDG_UHFFFAOYSA_N =  7.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C9DCNO3
! formula:  C_9H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: TURIVFFHDFEFMU-UHFFFAOYSA-N
Hvpx_TURIVFFHDFEFMU_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_TURIVFFHDFEFMU_UHFFFAOYSA_N =  7.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_TURIVFFHDFEFMU_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C9PAN2
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VXDDXZNSSANCGN-UHFFFAOYSA-N
Hvpx_VXDDXZNSSANCGN_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VXDDXZNSSANCGN_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VXDDXZNSSANCGN_UHFFFAOYSA_N =  6.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NIPRBQOOH
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KGZDDJNUZZWZIJ-UHFFFAOYSA-N
Hvpx_KGZDDJNUZZWZIJ_UHFFFAOYSA_N =  3.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KGZDDJNUZZWZIJ_UHFFFAOYSA_N =  3.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KGZDDJNUZZWZIJ_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NLMKAOOH
! formula:  C_9H_{15}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZOTFHCKOVMRARL-UHFFFAOYSA-N
Hvpx_ZOTFHCKOVMRARL_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZOTFHCKOVMRARL_UHFFFAOYSA_N =  6.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZOTFHCKOVMRARL_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMETLQOOH
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: FSVFAZAPMWXECG-UHFFFAOYSA-N
Hvpx_FSVFAZAPMWXECG_UHFFFAOYSA_N =  5.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_FSVFAZAPMWXECG_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FSVFAZAPMWXECG_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOETLQOOH
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: GHGZYHLEQYQZHR-UHFFFAOYSA-N
Hvpx_GHGZYHLEQYQZHR_UHFFFAOYSA_N =  4.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GHGZYHLEQYQZHR_UHFFFAOYSA_N =  2.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GHGZYHLEQYQZHR_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINANO3
! formula:  C_9H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JEOFIBHUYPQAJL-UHFFFAOYSA-N
Hvpx_JEOFIBHUYPQAJL_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JEOFIBHUYPQAJL_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JEOFIBHUYPQAJL_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINBNO3
! formula:  C_9H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QGVNTXJLRAHBMW-UHFFFAOYSA-N
Hvpx_QGVNTXJLRAHBMW_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_QGVNTXJLRAHBMW_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QGVNTXJLRAHBMW_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOPINCNO3
! formula:  C_9H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CLMUTFVSCXCGKI-UHFFFAOYSA-N
Hvpx_CLMUTFVSCXCGKI_UHFFFAOYSA_N =  4.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CLMUTFVSCXCGKI_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CLMUTFVSCXCGKI_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPETLQOOH
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: IMJMJNZTMWKOFO-UHFFFAOYSA-N
Hvpx_IMJMJNZTMWKOFO_UHFFFAOYSA_N =  5.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IMJMJNZTMWKOFO_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_IMJMJNZTMWKOFO_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPPRBQOOH
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: MMAZKJNYHBQGDL-UHFFFAOYSA-N
Hvpx_MMAZKJNYHBQGDL_UHFFFAOYSA_N =  3.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MMAZKJNYHBQGDL_UHFFFAOYSA_N =  3.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MMAZKJNYHBQGDL_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NTM124QOOH
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZMXXAPJGXNLYQU-UHFFFAOYSA-N
Hvpx_ZMXXAPJGXNLYQU_UHFFFAOYSA_N =  6.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ZMXXAPJGXNLYQU_UHFFFAOYSA_N =  7.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZMXXAPJGXNLYQU_UHFFFAOYSA_N =  1.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1011NO3
! formula:  C_{10}H_{17}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: KLQCUGBDZZARMU-UHFFFAOYSA-N
Hvpx_KLQCUGBDZZARMU_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KLQCUGBDZZARMU_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KLQCUGBDZZARMU_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C10PAN2
! formula:  C_{10}H_{15}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: XGWGKMXMXMPDAK-UHFFFAOYSA-N
Hvpx_XGWGKMXMXMPDAK_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XGWGKMXMXMPDAK_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XGWGKMXMXMPDAK_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C923PAN
! formula:  C_{10}H_{15}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZVYIPTRRRFMSSU-UHFFFAOYSA-N
Hvpx_ZVYIPTRRRFMSSU_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZVYIPTRRRFMSSU_UHFFFAOYSA_N =  5.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZVYIPTRRRFMSSU_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C928PAN
! formula:  C_{10}H_{15}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: MIISGCVMOACDOR-UHFFFAOYSA-N
Hvpx_MIISGCVMOACDOR_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MIISGCVMOACDOR_UHFFFAOYSA_N =  3.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MIISGCVMOACDOR_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC101CO
! formula:  C_{10}H_{15}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BCIULZBFFUODJR-UHFFFAOYSA-N
Hvpx_BCIULZBFFUODJR_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BCIULZBFFUODJR_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BCIULZBFFUODJR_UHFFFAOYSA_N =  1.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC101OOH
! formula:  C_{10}H_{15}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: AQVSRLWLNUXIOL-UHFFFAOYSA-N
Hvpx_AQVSRLWLNUXIOL_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AQVSRLWLNUXIOL_UHFFFAOYSA_N =  1.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AQVSRLWLNUXIOL_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC102OOH
! formula:  C_{10}H_{15}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZNOCONLMTXMLFU-UHFFFAOYSA-N
Hvpx_ZNOCONLMTXMLFU_UHFFFAOYSA_N =  2.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZNOCONLMTXMLFU_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZNOCONLMTXMLFU_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1011PAN
! formula:  C_{11}H_{17}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: PRDFPHJPDVZXHH-UHFFFAOYSA-N
Hvpx_PRDFPHJPDVZXHH_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PRDFPHJPDVZXHH_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PRDFPHJPDVZXHH_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C131NO3
! formula:  C_{13}H_{21}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HFRDBZMTZNPZMV-UHFFFAOYSA-N
Hvpx_HFRDBZMTZNPZMV_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HFRDBZMTZNPZMV_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HFRDBZMTZNPZMV_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C131PAN
! formula:  C_{14}H_{21}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: YHMAABVAIQVHRP-UHFFFAOYSA-N
Hvpx_YHMAABVAIQVHRP_UHFFFAOYSA_N =  7.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YHMAABVAIQVHRP_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YHMAABVAIQVHRP_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C141NO3
! formula:  C_{14}H_{23}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JPXQKVXALDMDKF-UHFFFAOYSA-N
Hvpx_JPXQKVXALDMDKF_UHFFFAOYSA_N =  9.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JPXQKVXALDMDKF_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JPXQKVXALDMDKF_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBCKOOH
! formula:  C_{14}H_{23}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: IMGMBHKHHVQTQK-UHFFFAOYSA-N
Hvpx_IMGMBHKHHVQTQK_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IMGMBHKHHVQTQK_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IMGMBHKHHVQTQK_UHFFFAOYSA_N =  3.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C141PAN
! formula:  C_{15}H_{23}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: PGNAVHCNSKAOHZ-UHFFFAOYSA-N
Hvpx_PGNAVHCNSKAOHZ_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PGNAVHCNSKAOHZ_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PGNAVHCNSKAOHZ_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4PAN10
! formula:  C_4H_5NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: JOAGXXIRMSWAAZ-UHFFFAOYSA-N
Hvpx_JOAGXXIRMSWAAZ_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JOAGXXIRMSWAAZ_UHFFFAOYSA_N =  2.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_JOAGXXIRMSWAAZ_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4PAN6
! formula:  C_4H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: QRAIBPAZBCTEOB-UHFFFAOYSA-N
Hvpx_QRAIBPAZBCTEOB_UHFFFAOYSA_N =  6.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QRAIBPAZBCTEOB_UHFFFAOYSA_N =  1.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_QRAIBPAZBCTEOB_UHFFFAOYSA_N =  2.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3C4NO3OH
! formula:  C_4H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HZFDSYFRCPAXEA-UHFFFAOYSA-N
Hvpx_HZFDSYFRCPAXEA_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HZFDSYFRCPAXEA_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HZFDSYFRCPAXEA_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMVKANO3
! formula:  C_4H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UFDPWCOBIOWDKA-UHFFFAOYSA-N
Hvpx_UFDPWCOBIOWDKA_UHFFFAOYSA_N =  4.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UFDPWCOBIOWDKA_UHFFFAOYSA_N =  3.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UFDPWCOBIOWDKA_UHFFFAOYSA_N =  9.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMVKNO3
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: NCLLRWDJHCXXDR-UHFFFAOYSA-N
Hvpx_NCLLRWDJHCXXDR_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NCLLRWDJHCXXDR_UHFFFAOYSA_N =  1.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NCLLRWDJHCXXDR_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HNBIACET
! formula:  C_4H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: HPGBXXMJBUDRLY-UHFFFAOYSA-N
Hvpx_HPGBXXMJBUDRLY_UHFFFAOYSA_N =  9.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HPGBXXMJBUDRLY_UHFFFAOYSA_N =  3.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HPGBXXMJBUDRLY_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HNMVKOH
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KPZZNRQGHDTQNJ-UHFFFAOYSA-N
Hvpx_KPZZNRQGHDTQNJ_UHFFFAOYSA_N =  4.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KPZZNRQGHDTQNJ_UHFFFAOYSA_N =  8.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KPZZNRQGHDTQNJ_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HNMVKOOH
! formula:  C_4H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: CTKAFSDGNPEZFZ-UHFFFAOYSA-N
Hvpx_CTKAFSDGNPEZFZ_UHFFFAOYSA_N =  3.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_CTKAFSDGNPEZFZ_UHFFFAOYSA_N =  2.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CTKAFSDGNPEZFZ_UHFFFAOYSA_N =  5.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MVKNO3
! formula:  C_4H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SCJOQBCZNBCTOQ-UHFFFAOYSA-N
Hvpx_SCJOQBCZNBCTOQ_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SCJOQBCZNBCTOQ_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SCJOQBCZNBCTOQ_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MVKOHANO3
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DMSMZXCVKMBQGA-UHFFFAOYSA-N
Hvpx_DMSMZXCVKMBQGA_UHFFFAOYSA_N =  7.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DMSMZXCVKMBQGA_UHFFFAOYSA_N =  9.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DMSMZXCVKMBQGA_UHFFFAOYSA_N =  3.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4MCONO3OH
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VRAOJUVNSLNISW-UHFFFAOYSA-N
Hvpx_VRAOJUVNSLNISW_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VRAOJUVNSLNISW_UHFFFAOYSA_N =  3.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VRAOJUVNSLNISW_UHFFFAOYSA_N =  3.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C517NO3
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DLLRFAPEEPVGBN-UHFFFAOYSA-N
Hvpx_DLLRFAPEEPVGBN_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DLLRFAPEEPVGBN_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DLLRFAPEEPVGBN_UHFFFAOYSA_N =  7.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C51NO3
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OMTWKQRBUUWUQB-UHFFFAOYSA-N
Hvpx_OMTWKQRBUUWUQB_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OMTWKQRBUUWUQB_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OMTWKQRBUUWUQB_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5NO3CO4OH
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GEKIHWHZVPPEBT-UHFFFAOYSA-N
Hvpx_GEKIHWHZVPPEBT_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GEKIHWHZVPPEBT_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GEKIHWHZVPPEBT_UHFFFAOYSA_N =  5.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO2OH3MPAN
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KOFNDQLSBTYFBZ-UHFFFAOYSA-N
Hvpx_KOFNDQLSBTYFBZ_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KOFNDQLSBTYFBZ_UHFFFAOYSA_N =  3.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KOFNDQLSBTYFBZ_UHFFFAOYSA_N =  8.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CO3H4PAN
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KVXLZPRANFUVNJ-UHFFFAOYSA-N
Hvpx_KVXLZPRANFUVNJ_UHFFFAOYSA_N =  8.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KVXLZPRANFUVNJ_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KVXLZPRANFUVNJ_UHFFFAOYSA_N =  3.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H1C23C4PAN
! formula:  C_5H_5NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZNIKVNWPMOTSJK-UHFFFAOYSA-N
Hvpx_ZNIKVNWPMOTSJK_UHFFFAOYSA_N =  2.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZNIKVNWPMOTSJK_UHFFFAOYSA_N =  7.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZNIKVNWPMOTSJK_UHFFFAOYSA_N =  2.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3C2C4PAN
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: UDPFGHOTTZCMEQ-UHFFFAOYSA-N
Hvpx_UDPFGHOTTZCMEQ_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UDPFGHOTTZCMEQ_UHFFFAOYSA_N =  2.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_UDPFGHOTTZCMEQ_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMVKBPAN
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: VVIGYLNPENSKGX-UHFFFAOYSA-N
Hvpx_VVIGYLNPENSKGX_UHFFFAOYSA_N =  9.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VVIGYLNPENSKGX_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VVIGYLNPENSKGX_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INANCO
! formula:  C_5H_8N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: IESHUNGXVKLDSS-UHFFFAOYSA-N
Hvpx_IESHUNGXVKLDSS_UHFFFAOYSA_N =  3.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IESHUNGXVKLDSS_UHFFFAOYSA_N =  4.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IESHUNGXVKLDSS_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1CO
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ASROEBVFUUHBLI-UHFFFAOYSA-N
Hvpx_ASROEBVFUUHBLI_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ASROEBVFUUHBLI_UHFFFAOYSA_N =  3.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ASROEBVFUUHBLI_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INCCO
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: HXWBEXHMXOXGKY-UHFFFAOYSA-N
Hvpx_HXWBEXHMXOXGKY_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HXWBEXHMXOXGKY_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HXWBEXHMXOXGKY_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4COMOHPAN
! formula:  C_6H_7NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: KHOZKKAVCHSHMN-UHFFFAOYSA-N
Hvpx_KHOZKKAVCHSHMN_UHFFFAOYSA_N =  2.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KHOZKKAVCHSHMN_UHFFFAOYSA_N =  5.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KHOZKKAVCHSHMN_UHFFFAOYSA_N =  1.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4MOHOPAN
! formula:  C_6H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: LVRCIQOIMYLYHB-UHFFFAOYSA-N
Hvpx_LVRCIQOIMYLYHB_UHFFFAOYSA_N =  9.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LVRCIQOIMYLYHB_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LVRCIQOIMYLYHB_UHFFFAOYSA_N =  1.4E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C517PAN
! formula:  C_6H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: BRUHFHISVNPPNB-UHFFFAOYSA-N
Hvpx_BRUHFHISVNPPNB_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BRUHFHISVNPPNB_UHFFFAOYSA_N =  6.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BRUHFHISVNPPNB_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C519PAN
! formula:  C_6H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: QFUOUYQJXYVTOO-UHFFFAOYSA-N
Hvpx_QFUOUYQJXYVTOO_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QFUOUYQJXYVTOO_UHFFFAOYSA_N =  5.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QFUOUYQJXYVTOO_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5O45OHPAN
! formula:  C_6H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: VCYALMFEDUSLKE-UHFFFAOYSA-N
Hvpx_VCYALMFEDUSLKE_UHFFFAOYSA_N =  9.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VCYALMFEDUSLKE_UHFFFAOYSA_N =  3.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VCYALMFEDUSLKE_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C610NO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KOUUCDJHLKRSEQ-UHFFFAOYSA-N
Hvpx_KOUUCDJHLKRSEQ_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KOUUCDJHLKRSEQ_UHFFFAOYSA_N =  3.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KOUUCDJHLKRSEQ_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C614NO3
! formula:  C_6H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: QPXWFZAVXNBNFW-UHFFFAOYSA-N
Hvpx_QPXWFZAVXNBNFW_UHFFFAOYSA_N =  4.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QPXWFZAVXNBNFW_UHFFFAOYSA_N =  6.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QPXWFZAVXNBNFW_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C61NO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SYDWDJOZRNVKSU-UHFFFAOYSA-N
Hvpx_SYDWDJOZRNVKSU_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SYDWDJOZRNVKSU_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SYDWDJOZRNVKSU_UHFFFAOYSA_N =  8.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C63NO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RHTCZESJRHZQFA-UHFFFAOYSA-N
Hvpx_RHTCZESJRHZQFA_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RHTCZESJRHZQFA_UHFFFAOYSA_N =  5.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RHTCZESJRHZQFA_UHFFFAOYSA_N =  1.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C64NO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IYYWGRLOLOMZAZ-UHFFFAOYSA-N
Hvpx_IYYWGRLOLOMZAZ_UHFFFAOYSA_N =  5.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IYYWGRLOLOMZAZ_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IYYWGRLOLOMZAZ_UHFFFAOYSA_N =  4.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CONO34OH
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OLTUAQAPCXKDOJ-UHFFFAOYSA-N
Hvpx_OLTUAQAPCXKDOJ_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OLTUAQAPCXKDOJ_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OLTUAQAPCXKDOJ_UHFFFAOYSA_N =  2.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6NO3CO4OH
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WWUUDQUMERSNEM-UHFFFAOYSA-N
Hvpx_WWUUDQUMERSNEM_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WWUUDQUMERSNEM_UHFFFAOYSA_N =  3.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WWUUDQUMERSNEM_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6NO3CO5OH
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IZBQRALUURUKJG-UHFFFAOYSA-N
Hvpx_IZBQRALUURUKJG_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IZBQRALUURUKJG_UHFFFAOYSA_N =  6.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IZBQRALUURUKJG_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6PAN9
! formula:  C_6H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: NJFFIXOWLQJQIZ-UHFFFAOYSA-N
Hvpx_NJFFIXOWLQJQIZ_UHFFFAOYSA_N =  3.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NJFFIXOWLQJQIZ_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NJFFIXOWLQJQIZ_UHFFFAOYSA_N =  8.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MIBKAOHNO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YCHDRSSXCQCYSO-UHFFFAOYSA-N
Hvpx_YCHDRSSXCQCYSO_UHFFFAOYSA_N =  5.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YCHDRSSXCQCYSO_UHFFFAOYSA_N =  8.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_YCHDRSSXCQCYSO_UHFFFAOYSA_N =  4.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C61CPAN
! formula:  C_7H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: FWCVDVIZOKXUGJ-UHFFFAOYSA-N
Hvpx_FWCVDVIZOKXUGJ_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FWCVDVIZOKXUGJ_UHFFFAOYSA_N =  4.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FWCVDVIZOKXUGJ_UHFFFAOYSA_N =  4.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C62CPAN
! formula:  C_7H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: LHOMRHYSYFWOPZ-UHFFFAOYSA-N
Hvpx_LHOMRHYSYFWOPZ_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LHOMRHYSYFWOPZ_UHFFFAOYSA_N =  4.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LHOMRHYSYFWOPZ_UHFFFAOYSA_N =  7.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C712NO3
! formula:  C_7H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RPPGGLBPWJPSSV-UHFFFAOYSA-N
Hvpx_RPPGGLBPWJPSSV_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RPPGGLBPWJPSSV_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RPPGGLBPWJPSSV_UHFFFAOYSA_N =  7.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C719NO3
! formula:  C_7H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: IXGSPJJVHFTXPK-UHFFFAOYSA-N
Hvpx_IXGSPJJVHFTXPK_UHFFFAOYSA_N =  5.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_IXGSPJJVHFTXPK_UHFFFAOYSA_N =  1.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IXGSPJJVHFTXPK_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C72NO3
! formula:  C_7H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MWIGFUUCEWIWBB-UHFFFAOYSA-N
Hvpx_MWIGFUUCEWIWBB_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MWIGFUUCEWIWBB_UHFFFAOYSA_N =  8.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MWIGFUUCEWIWBB_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C77NO3
! formula:  C_7H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KZCKPUAVFWISTB-UHFFFAOYSA-N
Hvpx_KZCKPUAVFWISTB_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KZCKPUAVFWISTB_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KZCKPUAVFWISTB_UHFFFAOYSA_N =  7.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3C25C6PAN
! formula:  C_7H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: GUUOCMMOMFUPSI-UHFFFAOYSA-N
Hvpx_GUUOCMMOMFUPSI_UHFFFAOYSA_N =  4.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GUUOCMMOMFUPSI_UHFFFAOYSA_N =  8.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GUUOCMMOMFUPSI_UHFFFAOYSA_N =  3.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6MOHCOPAN
! formula:  C_8H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: PDGRPGJWHYLYKK-UHFFFAOYSA-N
Hvpx_PDGRPGJWHYLYKK_UHFFFAOYSA_N =  5.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PDGRPGJWHYLYKK_UHFFFAOYSA_N =  4.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PDGRPGJWHYLYKK_UHFFFAOYSA_N =  8.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7CO2OHPAN
! formula:  C_8H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: MICPXOSCTLYWLE-UHFFFAOYSA-N
Hvpx_MICPXOSCTLYWLE_UHFFFAOYSA_N =  5.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MICPXOSCTLYWLE_UHFFFAOYSA_N =  4.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MICPXOSCTLYWLE_UHFFFAOYSA_N =  1.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C829NO3
! formula:  C_8H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CDMYSTRAPZWSHD-UHFFFAOYSA-N
Hvpx_CDMYSTRAPZWSHD_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CDMYSTRAPZWSHD_UHFFFAOYSA_N =  4.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CDMYSTRAPZWSHD_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C82NO3
! formula:  C_8H_{15}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HUKHBWOLGKLCRF-UHFFFAOYSA-N
Hvpx_HUKHBWOLGKLCRF_UHFFFAOYSA_N =  4.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HUKHBWOLGKLCRF_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HUKHBWOLGKLCRF_UHFFFAOYSA_N =  7.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6EO2OHPAN
! formula:  C_9H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: YGQCKHJQVYPZEV-UHFFFAOYSA-N
Hvpx_YGQCKHJQVYPZEV_UHFFFAOYSA_N =  7.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_YGQCKHJQVYPZEV_UHFFFAOYSA_N =  7.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_YGQCKHJQVYPZEV_UHFFFAOYSA_N =  1.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7MJPPAN
! formula:  C_9H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: XJDHGIQDEMCTOX-UHFFFAOYSA-N
Hvpx_XJDHGIQDEMCTOX_UHFFFAOYSA_N =  7.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XJDHGIQDEMCTOX_UHFFFAOYSA_N =  8.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_XJDHGIQDEMCTOX_UHFFFAOYSA_N =  6.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7MOHCOPAN
! formula:  C_9H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: SORJSZWEJQTGJA-UHFFFAOYSA-N
Hvpx_SORJSZWEJQTGJA_UHFFFAOYSA_N =  9.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_SORJSZWEJQTGJA_UHFFFAOYSA_N =  3.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_SORJSZWEJQTGJA_UHFFFAOYSA_N =  4.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C927NO3
! formula:  C_9H_{15}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RKOGSSYMWVPWJW-UHFFFAOYSA-N
Hvpx_RKOGSSYMWVPWJW_UHFFFAOYSA_N =  5.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RKOGSSYMWVPWJW_UHFFFAOYSA_N =  5.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RKOGSSYMWVPWJW_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C93NO3
! formula:  C_9H_{17}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OEEOAFFOONSSLD-UHFFFAOYSA-N
Hvpx_OEEOAFFOONSSLD_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OEEOAFFOONSSLD_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OEEOAFFOONSSLD_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C98NO3
! formula:  C_9H_{15}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: PQCIVFJRBSNULM-UHFFFAOYSA-N
Hvpx_PQCIVFJRBSNULM_UHFFFAOYSA_N =  1.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PQCIVFJRBSNULM_UHFFFAOYSA_N =  9.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PQCIVFJRBSNULM_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LMKANO3
! formula:  C_9H_{15}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OCTKYXAOGSBZDD-UHFFFAOYSA-N
Hvpx_OCTKYXAOGSBZDD_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OCTKYXAOGSBZDD_UHFFFAOYSA_N =  2.5E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OCTKYXAOGSBZDD_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LMKBNO3
! formula:  C_9H_{15}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MVWAQQXSBOJSHS-UHFFFAOYSA-N
Hvpx_MVWAQQXSBOJSHS_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MVWAQQXSBOJSHS_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MVWAQQXSBOJSHS_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C103NO3
! formula:  C_{10}H_{19}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NTZGBOUJHFKYIP-UHFFFAOYSA-N
Hvpx_NTZGBOUJHFKYIP_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NTZGBOUJHFKYIP_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NTZGBOUJHFKYIP_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C920PAN
! formula:  C_{10}H_{15}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: JPFVAVYDZBUWDH-UHFFFAOYSA-N
Hvpx_JPFVAVYDZBUWDH_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JPFVAVYDZBUWDH_UHFFFAOYSA_N =  9.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JPFVAVYDZBUWDH_UHFFFAOYSA_N =  2.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C113NO3
! formula:  C_{11}H_{21}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XIMKJTRLGBXFHP-UHFFFAOYSA-N
Hvpx_XIMKJTRLGBXFHP_UHFFFAOYSA_N =  7.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XIMKJTRLGBXFHP_UHFFFAOYSA_N =  2.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XIMKJTRLGBXFHP_UHFFFAOYSA_N =  5.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C123NO3
! formula:  C_{12}H_{23}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MVMJPHZGIRWSLB-UHFFFAOYSA-N
Hvpx_MVMJPHZGIRWSLB_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MVMJPHZGIRWSLB_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MVMJPHZGIRWSLB_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C133NO3
! formula:  C_{13}H_{21}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ODJJFBKGWDLDSF-UHFFFAOYSA-N
Hvpx_ODJJFBKGWDLDSF_UHFFFAOYSA_N =  4.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ODJJFBKGWDLDSF_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ODJJFBKGWDLDSF_UHFFFAOYSA_N =  3.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCKANO3
! formula:  C_{14}H_{23}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YULYIMMPXZFYHU-UHFFFAOYSA-N
Hvpx_YULYIMMPXZFYHU_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_YULYIMMPXZFYHU_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YULYIMMPXZFYHU_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCKBNO3
! formula:  C_{14}H_{23}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VHSFPWDPGIOBJY-UHFFFAOYSA-N
Hvpx_VHSFPWDPGIOBJY_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VHSFPWDPGIOBJY_UHFFFAOYSA_N =  5.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VHSFPWDPGIOBJY_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C142NO3
! formula:  C_{14}H_{23}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AZGAJOUTVTYWPD-UHFFFAOYSA-N
Hvpx_AZGAJOUTVTYWPD_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AZGAJOUTVTYWPD_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AZGAJOUTVTYWPD_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C143NO3
! formula:  C_{14}H_{23}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: NNHMCYUMVAAOGX-UHFFFAOYSA-N
Hvpx_NNHMCYUMVAAOGX_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NNHMCYUMVAAOGX_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NNHMCYUMVAAOGX_UHFFFAOYSA_N =  5.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMGLYOX
! formula:  C_3H_3NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OPXOPVKLHYDIMX-UHFFFAOYSA-N
Hvpx_OPXOPVKLHYDIMX_UHFFFAOYSA_N =  9.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OPXOPVKLHYDIMX_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OPXOPVKLHYDIMX_UHFFFAOYSA_N =  1.6E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C312COPAN
! formula:  C_4H_3NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: RRBQALAYWSLXKO-UHFFFAOYSA-N
Hvpx_RRBQALAYWSLXKO_UHFFFAOYSA_N =  2.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RRBQALAYWSLXKO_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RRBQALAYWSLXKO_UHFFFAOYSA_N =  1.6E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4CONO3CO
! formula:  C_4H_5NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RXLGSPGPVVHCFU-UHFFFAOYSA-N
Hvpx_RXLGSPGPVVHCFU_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RXLGSPGPVVHCFU_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RXLGSPGPVVHCFU_UHFFFAOYSA_N =  2.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NCO23CHO
! formula:  C_4H_3NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VZDGBDWMYVQZKU-UHFFFAOYSA-N
Hvpx_VZDGBDWMYVQZKU_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VZDGBDWMYVQZKU_UHFFFAOYSA_N =  5.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VZDGBDWMYVQZKU_UHFFFAOYSA_N =  4.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4CO2DBPAN
! formula:  C_5H_3NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: BTFAHSUMXINULH-UHFFFAOYSA-N
Hvpx_BTFAHSUMXINULH_UHFFFAOYSA_N =  7.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BTFAHSUMXINULH_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BTFAHSUMXINULH_UHFFFAOYSA_N =  1.1E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4M22CONO3
! formula:  C_5H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FQGALMJVSZOCNN-UHFFFAOYSA-N
Hvpx_FQGALMJVSZOCNN_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FQGALMJVSZOCNN_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FQGALMJVSZOCNN_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C512NO3
! formula:  C_5H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OAONLGDTCNNTSO-UHFFFAOYSA-N
Hvpx_OAONLGDTCNNTSO_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OAONLGDTCNNTSO_UHFFFAOYSA_N =  2.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OAONLGDTCNNTSO_UHFFFAOYSA_N =  6.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOC3COPAN
! formula:  C_5H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: MEMYBUIJIAQZMF-UHFFFAOYSA-N
Hvpx_MEMYBUIJIAQZMF_UHFFFAOYSA_N =  3.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MEMYBUIJIAQZMF_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MEMYBUIJIAQZMF_UHFFFAOYSA_N =  5.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INANCOCHO
! formula:  C_5H_6N_2O_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: ALBXLNVOOLMBSV-UHFFFAOYSA-N
Hvpx_ALBXLNVOOLMBSV_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ALBXLNVOOLMBSV_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ALBXLNVOOLMBSV_UHFFFAOYSA_N =  3.7E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C511PAN
! formula:  C_6H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ADLPISUKTIUEBV-UHFFFAOYSA-N
Hvpx_ADLPISUKTIUEBV_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ADLPISUKTIUEBV_UHFFFAOYSA_N =  6.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ADLPISUKTIUEBV_UHFFFAOYSA_N =  6.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5124COPAN
! formula:  C_6H_5NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: DHCQJQARWDKNBK-UHFFFAOYSA-N
Hvpx_DHCQJQARWDKNBK_UHFFFAOYSA_N =  5.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_DHCQJQARWDKNBK_UHFFFAOYSA_N =  4.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_DHCQJQARWDKNBK_UHFFFAOYSA_N =  2.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C512PAN
! formula:  C_6H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: OLSCQSOEJBIJSE-UHFFFAOYSA-N
Hvpx_OLSCQSOEJBIJSE_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OLSCQSOEJBIJSE_UHFFFAOYSA_N =  5.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OLSCQSOEJBIJSE_UHFFFAOYSA_N =  3.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C515PAN
! formula:  C_6H_5NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: QIUJGMPSWRWOQB-UHFFFAOYSA-N
Hvpx_QIUJGMPSWRWOQB_UHFFFAOYSA_N =  5.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_QIUJGMPSWRWOQB_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QIUJGMPSWRWOQB_UHFFFAOYSA_N =  2.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CO2DBPAN
! formula:  C_6H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: LCULQJDFGZNNJC-UHFFFAOYSA-N
Hvpx_LCULQJDFGZNNJC_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LCULQJDFGZNNJC_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LCULQJDFGZNNJC_UHFFFAOYSA_N =  2.0E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5DBCO2PAN
! formula:  C_6H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: QMYFWHUFARKUQS-UHFFFAOYSA-N
Hvpx_QMYFWHUFARKUQS_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QMYFWHUFARKUQS_UHFFFAOYSA_N =  2.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_QMYFWHUFARKUQS_UHFFFAOYSA_N =  1.5E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C626NO3
! formula:  C_6H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OCVBVQJPDKPHST-UHFFFAOYSA-N
Hvpx_OCVBVQJPDKPHST_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OCVBVQJPDKPHST_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OCVBVQJPDKPHST_UHFFFAOYSA_N =  3.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6COCHOPAN
! formula:  C_6H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: YGLXJUWEIHLTAS-UHFFFAOYSA-N
Hvpx_YGLXJUWEIHLTAS_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YGLXJUWEIHLTAS_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YGLXJUWEIHLTAS_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4DBM2PAN
! formula:  C_7H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: LSIPSXVETZQMNK-UHFFFAOYSA-N
Hvpx_LSIPSXVETZQMNK_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LSIPSXVETZQMNK_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LSIPSXVETZQMNK_UHFFFAOYSA_N =  1.0E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C617PAN
! formula:  C_7H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: PZZHENCPCXAAMZ-UHFFFAOYSA-N
Hvpx_PZZHENCPCXAAMZ_UHFFFAOYSA_N =  6.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PZZHENCPCXAAMZ_UHFFFAOYSA_N =  5.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PZZHENCPCXAAMZ_UHFFFAOYSA_N =  8.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C618PAN
! formula:  C_7H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: TUYXNXVHKYYCNT-UHFFFAOYSA-N
Hvpx_TUYXNXVHKYYCNT_UHFFFAOYSA_N =  6.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_TUYXNXVHKYYCNT_UHFFFAOYSA_N =  7.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_TUYXNXVHKYYCNT_UHFFFAOYSA_N =  9.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C626PAN
! formula:  C_7H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: JTOZIQOFBRFINW-UHFFFAOYSA-N
Hvpx_JTOZIQOFBRFINW_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JTOZIQOFBRFINW_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JTOZIQOFBRFINW_UHFFFAOYSA_N =  3.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C717NO3
! formula:  C_7H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: YBNFZHXBUOLIKA-UHFFFAOYSA-N
Hvpx_YBNFZHXBUOLIKA_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YBNFZHXBUOLIKA_UHFFFAOYSA_N =  6.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YBNFZHXBUOLIKA_UHFFFAOYSA_N =  2.5E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C718NO3
! formula:  C_7H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WMUFPKACUPNARK-UHFFFAOYSA-N
Hvpx_WMUFPKACUPNARK_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WMUFPKACUPNARK_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WMUFPKACUPNARK_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C731NO3
! formula:  C_7H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WJSMASANGLXUCK-UHFFFAOYSA-N
Hvpx_WJSMASANGLXUCK_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WJSMASANGLXUCK_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WJSMASANGLXUCK_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7CO2DBPAN
! formula:  C_7H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: FJSOTAPJABBDID-UHFFFAOYSA-N
Hvpx_FJSOTAPJABBDID_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FJSOTAPJABBDID_UHFFFAOYSA_N =  4.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FJSOTAPJABBDID_UHFFFAOYSA_N =  2.1E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC61CO3H
! formula:  C_7H_7NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: RCADYDMYBSYTRH-UHFFFAOYSA-N
Hvpx_RCADYDMYBSYTRH_UHFFFAOYSA_N =  3.3E-13                                  ! [atm] type: Q, ref: 3409
Hvpx_RCADYDMYBSYTRH_UHFFFAOYSA_N =  8.8E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RCADYDMYBSYTRH_UHFFFAOYSA_N =  7.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC6PAN1
! formula:  C_7H_6N_2O_{11}
! trivial:  
! casrn:    UNKNOWN
! inchikey: LNWBMFOWVOYBBT-UHFFFAOYSA-N
Hvpx_LNWBMFOWVOYBBT_UHFFFAOYSA_N =  8.3E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_LNWBMFOWVOYBBT_UHFFFAOYSA_N =  2.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LNWBMFOWVOYBBT_UHFFFAOYSA_N =  2.7E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4DBMEPAN
! formula:  C_8H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: JDCDQJWNYIFIQT-UHFFFAOYSA-N
Hvpx_JDCDQJWNYIFIQT_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JDCDQJWNYIFIQT_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_JDCDQJWNYIFIQT_UHFFFAOYSA_N =  1.6E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C718PAN
! formula:  C_8H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: IZJQRCOOVGKQNV-UHFFFAOYSA-N
Hvpx_IZJQRCOOVGKQNV_UHFFFAOYSA_N =  7.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IZJQRCOOVGKQNV_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IZJQRCOOVGKQNV_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C731PAN
! formula:  C_8H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: BCDBCVPVNWUZKV-UHFFFAOYSA-N
Hvpx_BCDBCVPVNWUZKV_UHFFFAOYSA_N =  4.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BCDBCVPVNWUZKV_UHFFFAOYSA_N =  3.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BCDBCVPVNWUZKV_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8CO2DBPAN
! formula:  C_8H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: IPAWZRQBQOFPJA-UHFFFAOYSA-N
Hvpx_IPAWZRQBQOFPJA_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IPAWZRQBQOFPJA_UHFFFAOYSA_N =  7.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IPAWZRQBQOFPJA_UHFFFAOYSA_N =  3.9E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8DBCO2PAN
! formula:  C_8H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZDCAPCKMKJMPHV-UHFFFAOYSA-N
Hvpx_ZDCAPCKMKJMPHV_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDCAPCKMKJMPHV_UHFFFAOYSA_N =  6.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDCAPCKMKJMPHV_UHFFFAOYSA_N =  5.5E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C87PAN
! formula:  C_9H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: KZPDHKTVZKNFJF-UHFFFAOYSA-N
Hvpx_KZPDHKTVZKNFJF_UHFFFAOYSA_N =  9.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KZPDHKTVZKNFJF_UHFFFAOYSA_N =  2.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KZPDHKTVZKNFJF_UHFFFAOYSA_N =  7.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C915NO3
! formula:  C_9H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CFOCUCLSGKHNEG-UHFFFAOYSA-N
Hvpx_CFOCUCLSGKHNEG_UHFFFAOYSA_N =  9.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CFOCUCLSGKHNEG_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CFOCUCLSGKHNEG_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C916NO3
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VOXWFVUGDBUBCW-UHFFFAOYSA-N
Hvpx_VOXWFVUGDBUBCW_UHFFFAOYSA_N =  3.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VOXWFVUGDBUBCW_UHFFFAOYSA_N =  5.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VOXWFVUGDBUBCW_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C918NO3
! formula:  C_9H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AMOFMDWAGAYJCS-UHFFFAOYSA-N
Hvpx_AMOFMDWAGAYJCS_UHFFFAOYSA_N =  9.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AMOFMDWAGAYJCS_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AMOFMDWAGAYJCS_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C919NO3
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DCZHYWWXGROBKB-UHFFFAOYSA-N
Hvpx_DCZHYWWXGROBKB_UHFFFAOYSA_N =  3.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DCZHYWWXGROBKB_UHFFFAOYSA_N =  5.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DCZHYWWXGROBKB_UHFFFAOYSA_N =  6.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C930NO3
! formula:  C_9H_{13}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DDSHYSHFPVKRPI-UHFFFAOYSA-N
Hvpx_DDSHYSHFPVKRPI_UHFFFAOYSA_N =  5.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DDSHYSHFPVKRPI_UHFFFAOYSA_N =  9.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DDSHYSHFPVKRPI_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1010NO3
! formula:  C_{10}H_{15}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GVXIDPZAUKXFPR-UHFFFAOYSA-N
Hvpx_GVXIDPZAUKXFPR_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GVXIDPZAUKXFPR_UHFFFAOYSA_N =  6.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_GVXIDPZAUKXFPR_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1012NO3
! formula:  C_{10}H_{17}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: XKIZNDJDYSDNBL-UHFFFAOYSA-N
Hvpx_XKIZNDJDYSDNBL_UHFFFAOYSA_N =  3.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XKIZNDJDYSDNBL_UHFFFAOYSA_N =  6.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XKIZNDJDYSDNBL_UHFFFAOYSA_N =  2.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C106NO3
! formula:  C_{10}H_{15}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DSEFLMWIAZKUSJ-UHFFFAOYSA-N
Hvpx_DSEFLMWIAZKUSJ_UHFFFAOYSA_N =  5.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DSEFLMWIAZKUSJ_UHFFFAOYSA_N =  7.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DSEFLMWIAZKUSJ_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C108NO3
! formula:  C_{10}H_{15}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: MVSLQVXNIWKHQS-UHFFFAOYSA-N
Hvpx_MVSLQVXNIWKHQS_UHFFFAOYSA_N =  5.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MVSLQVXNIWKHQS_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MVSLQVXNIWKHQS_UHFFFAOYSA_N =  8.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NLIMALOOH
! formula:  C_{10}H_{17}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: NTLQQKIUYMIZPN-UHFFFAOYSA-N
Hvpx_NTLQQKIUYMIZPN_UHFFFAOYSA_N =  5.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_NTLQQKIUYMIZPN_UHFFFAOYSA_N =  1.6E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NTLQQKIUYMIZPN_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PINALNO3
! formula:  C_{10}H_{15}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FNTMCASBPWQXGD-UHFFFAOYSA-N
Hvpx_FNTMCASBPWQXGD_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FNTMCASBPWQXGD_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FNTMCASBPWQXGD_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C116NO3
! formula:  C_{11}H_{17}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AWSJYNTZBDMUKU-UHFFFAOYSA-N
Hvpx_AWSJYNTZBDMUKU_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AWSJYNTZBDMUKU_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AWSJYNTZBDMUKU_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C116PAN
! formula:  C_{12}H_{17}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: IHJLCJPVFFZKMO-UHFFFAOYSA-N
Hvpx_IHJLCJPVFFZKMO_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IHJLCJPVFFZKMO_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_IHJLCJPVFFZKMO_UHFFFAOYSA_N =  4.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1210NO3
! formula:  C_{12}H_{19}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IJHSXQWUSMROBJ-UHFFFAOYSA-N
Hvpx_IJHSXQWUSMROBJ_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IJHSXQWUSMROBJ_UHFFFAOYSA_N =  1.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IJHSXQWUSMROBJ_UHFFFAOYSA_N =  7.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1210PAN
! formula:  C_{13}H_{19}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: PWZZEUPXUFAYML-UHFFFAOYSA-N
Hvpx_PWZZEUPXUFAYML_UHFFFAOYSA_N =  5.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PWZZEUPXUFAYML_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PWZZEUPXUFAYML_UHFFFAOYSA_N =  5.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBCALOOH
! formula:  C_{15}H_{25}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: TUYLAULXHOKFAG-UHFFFAOYSA-N
Hvpx_TUYLAULXHOKFAG_UHFFFAOYSA_N =  5.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_TUYLAULXHOKFAG_UHFFFAOYSA_N =  6.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_TUYLAULXHOKFAG_UHFFFAOYSA_N =  7.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H3NCO2CHO
! formula:  C_4H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VCTGKRYJUDQYFK-UHFFFAOYSA-N
Hvpx_VCTGKRYJUDQYFK_UHFFFAOYSA_N =  3.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VCTGKRYJUDQYFK_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VCTGKRYJUDQYFK_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HMVKNGLYOX
! formula:  C_4H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VDDXFUNTPSDTJP-UHFFFAOYSA-N
Hvpx_VDDXFUNTPSDTJP_UHFFFAOYSA_N =  2.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VDDXFUNTPSDTJP_UHFFFAOYSA_N =  5.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VDDXFUNTPSDTJP_UHFFFAOYSA_N =  5.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1GLYOX
! formula:  C_5H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: NAZCWKUVRXJZPX-UHFFFAOYSA-N
Hvpx_NAZCWKUVRXJZPX_UHFFFAOYSA_N =  4.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NAZCWKUVRXJZPX_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NAZCWKUVRXJZPX_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INCGLYOX
! formula:  C_5H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DGCXGPGOOTUCCO-UHFFFAOYSA-N
Hvpx_DGCXGPGOOTUCCO_UHFFFAOYSA_N =  8.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DGCXGPGOOTUCCO_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DGCXGPGOOTUCCO_UHFFFAOYSA_N =  1.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5CO2OHPAN
! formula:  C_6H_5NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: MLSWEUDOYVEBFO-UHFFFAOYSA-N
Hvpx_MLSWEUDOYVEBFO_UHFFFAOYSA_N =  2.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MLSWEUDOYVEBFO_UHFFFAOYSA_N =  3.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MLSWEUDOYVEBFO_UHFFFAOYSA_N =  7.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C6CO2OHPAN
! formula:  C_7H_7NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: GITGCCFTTYJWBT-UHFFFAOYSA-N
Hvpx_GITGCCFTTYJWBT_UHFFFAOYSA_N =  3.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GITGCCFTTYJWBT_UHFFFAOYSA_N =  3.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GITGCCFTTYJWBT_UHFFFAOYSA_N =  1.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5M2OHOPAN
! formula:  C_8H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: MJYXUWCXTAYXTN-UHFFFAOYSA-N
Hvpx_MJYXUWCXTAYXTN_UHFFFAOYSA_N =  5.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MJYXUWCXTAYXTN_UHFFFAOYSA_N =  2.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MJYXUWCXTAYXTN_UHFFFAOYSA_N =  7.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C7OHCO2PAN
! formula:  C_8H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: WKRTWLVIFYOGIB-UHFFFAOYSA-N
Hvpx_WKRTWLVIFYOGIB_UHFFFAOYSA_N =  4.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WKRTWLVIFYOGIB_UHFFFAOYSA_N =  6.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WKRTWLVIFYOGIB_UHFFFAOYSA_N =  2.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C5MEJPAN
! formula:  C_9H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: KTOTUVLJTIGMKC-UHFFFAOYSA-N
Hvpx_KTOTUVLJTIGMKC_UHFFFAOYSA_N =  7.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KTOTUVLJTIGMKC_UHFFFAOYSA_N =  4.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KTOTUVLJTIGMKC_UHFFFAOYSA_N =  1.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8CO2OHPAN
! formula:  C_9H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: UEMVFSSSLHUULZ-UHFFFAOYSA-N
Hvpx_UEMVFSSSLHUULZ_UHFFFAOYSA_N =  5.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UEMVFSSSLHUULZ_UHFFFAOYSA_N =  8.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UEMVFSSSLHUULZ_UHFFFAOYSA_N =  2.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C8OHCO2PAN
! formula:  C_9H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: GUTUSTBTBKWXHL-UHFFFAOYSA-N
Hvpx_GUTUSTBTBKWXHL_UHFFFAOYSA_N =  6.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GUTUSTBTBKWXHL_UHFFFAOYSA_N =  9.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GUTUSTBTBKWXHL_UHFFFAOYSA_N =  4.2E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:LIMALNO3
! formula:  C_{10}H_{17}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: FDBNDHKWTKEDSC-UHFFFAOYSA-N
Hvpx_FDBNDHKWTKEDSC_UHFFFAOYSA_N =  4.3E-09 * EXP( -23000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765
Hvpx_FDBNDHKWTKEDSC_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FDBNDHKWTKEDSC_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_FDBNDHKWTKEDSC_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NLIMALOH
! formula:  C_{10}H_{17}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: NNOYMJCUDKQQLW-UHFFFAOYSA-N
Hvpx_NNOYMJCUDKQQLW_UHFFFAOYSA_N =  1.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NNOYMJCUDKQQLW_UHFFFAOYSA_N =  1.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NNOYMJCUDKQQLW_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C117NO3
! formula:  C_{11}H_{17}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: VRGCJRKSASUXOA-UHFFFAOYSA-N
Hvpx_VRGCJRKSASUXOA_UHFFFAOYSA_N =  7.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VRGCJRKSASUXOA_UHFFFAOYSA_N =  5.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VRGCJRKSASUXOA_UHFFFAOYSA_N =  1.9E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C118NO3
! formula:  C_{11}H_{17}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: RHEKUCZWBZRVBN-UHFFFAOYSA-N
Hvpx_RHEKUCZWBZRVBN_UHFFFAOYSA_N =  2.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RHEKUCZWBZRVBN_UHFFFAOYSA_N =  8.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RHEKUCZWBZRVBN_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1215NO3
! formula:  C_{12}H_{19}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: HIFZNEWSKKHKQF-UHFFFAOYSA-N
Hvpx_HIFZNEWSKKHKQF_UHFFFAOYSA_N =  3.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_HIFZNEWSKKHKQF_UHFFFAOYSA_N =  5.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_HIFZNEWSKKHKQF_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C128NO3
! formula:  C_{12}H_{19}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: XVMHBNQZULJJQH-UHFFFAOYSA-N
Hvpx_XVMHBNQZULJJQH_UHFFFAOYSA_N =  8.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XVMHBNQZULJJQH_UHFFFAOYSA_N =  1.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XVMHBNQZULJJQH_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1312NO3
! formula:  C_{13}H_{21}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LCWPKTPKZZROTF-UHFFFAOYSA-N
Hvpx_LCWPKTPKZZROTF_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LCWPKTPKZZROTF_UHFFFAOYSA_N =  3.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LCWPKTPKZZROTF_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCALNO3
! formula:  C_{15}H_{25}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KJHBLMRUHUAACD-UHFFFAOYSA-N
Hvpx_KJHBLMRUHUAACD_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KJHBLMRUHUAACD_UHFFFAOYSA_N =  1.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KJHBLMRUHUAACD_UHFFFAOYSA_N =  6.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBCALOH
! formula:  C_{15}H_{25}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: YUOPYTDNMDNILJ-UHFFFAOYSA-N
Hvpx_YUOPYTDNMDNILJ_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YUOPYTDNMDNILJ_UHFFFAOYSA_N =  8.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_YUOPYTDNMDNILJ_UHFFFAOYSA_N =  7.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NO3CH2CO2H
! formula:  C_2H_3NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VHOVOPOBBVJMEP-UHFFFAOYSA-N
Hvpx_VHOVOPOBBVJMEP_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VHOVOPOBBVJMEP_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VHOVOPOBBVJMEP_UHFFFAOYSA_N =  3.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRNO3CO2H
! formula:  C_3H_5NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DVOPCQDTEPKYKW-UHFFFAOYSA-N
Hvpx_DVOPCQDTEPKYKW_UHFFFAOYSA_N =  3.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DVOPCQDTEPKYKW_UHFFFAOYSA_N =  6.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DVOPCQDTEPKYKW_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MPRNO3CO2H
! formula:  C_4H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MSBKTJKUKRRTOZ-UHFFFAOYSA-N
Hvpx_MSBKTJKUKRRTOZ_UHFFFAOYSA_N =  6.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MSBKTJKUKRRTOZ_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MSBKTJKUKRRTOZ_UHFFFAOYSA_N =  1.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC3CO2H
! formula:  C_4H_5NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IYBHCPMQXJSPPT-UHFFFAOYSA-N
Hvpx_IYBHCPMQXJSPPT_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IYBHCPMQXJSPPT_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IYBHCPMQXJSPPT_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C3MNO3CO2H
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CCKPHGGNTPAJHG-UHFFFAOYSA-N
Hvpx_CCKPHGGNTPAJHG_UHFFFAOYSA_N =  4.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CCKPHGGNTPAJHG_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CCKPHGGNTPAJHG_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C43NO3CO2H
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PAJLSJNKCRUQAA-UHFFFAOYSA-N
Hvpx_PAJLSJNKCRUQAA_UHFFFAOYSA_N =  8.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PAJLSJNKCRUQAA_UHFFFAOYSA_N =  3.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PAJLSJNKCRUQAA_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C4NO3CO2H
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LHOHBJOUNVJDSQ-UHFFFAOYSA-N
Hvpx_LHOHBJOUNVJDSQ_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LHOHBJOUNVJDSQ_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LHOHBJOUNVJDSQ_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC4CO2H
! formula:  C_5H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZKTRJZJYWMAEEY-UHFFFAOYSA-N
Hvpx_ZKTRJZJYWMAEEY_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZKTRJZJYWMAEEY_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZKTRJZJYWMAEEY_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C65NO3CO2H
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JEDGAPUZBUOYQF-UHFFFAOYSA-N
Hvpx_JEDGAPUZBUOYQF_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JEDGAPUZBUOYQF_UHFFFAOYSA_N =  5.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JEDGAPUZBUOYQF_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C721PAN
! formula:  C_8H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: OMUZIQDFMVGNTC-UHFFFAOYSA-N
Hvpx_OMUZIQDFMVGNTC_UHFFFAOYSA_N =  9.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OMUZIQDFMVGNTC_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OMUZIQDFMVGNTC_UHFFFAOYSA_N =  8.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C811NO3
! formula:  C_8H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: WYXUZPCNBFFDRO-UHFFFAOYSA-N
Hvpx_WYXUZPCNBFFDRO_UHFFFAOYSA_N =  3.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WYXUZPCNBFFDRO_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WYXUZPCNBFFDRO_UHFFFAOYSA_N =  9.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C823NO3
! formula:  C_8H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QAJOXMTYFQHFPC-UHFFFAOYSA-N
Hvpx_QAJOXMTYFQHFPC_UHFFFAOYSA_N =  4.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QAJOXMTYFQHFPC_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QAJOXMTYFQHFPC_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C811PAN
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: BOYXRVFXWMBNIT-UHFFFAOYSA-N
Hvpx_BOYXRVFXWMBNIT_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BOYXRVFXWMBNIT_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BOYXRVFXWMBNIT_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C823PAN
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: GRHNTSHNCZZYLE-UHFFFAOYSA-N
Hvpx_GRHNTSHNCZZYLE_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GRHNTSHNCZZYLE_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GRHNTSHNCZZYLE_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C137NO3
! formula:  C_{13}H_{21}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: CQGOUXQAADNZJX-UHFFFAOYSA-N
Hvpx_CQGOUXQAADNZJX_UHFFFAOYSA_N =  4.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CQGOUXQAADNZJX_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CQGOUXQAADNZJX_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C137PAN
! formula:  C_{14}H_{21}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KJDMPVAHMJBAAO-UHFFFAOYSA-N
Hvpx_KJDMPVAHMJBAAO_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KJDMPVAHMJBAAO_UHFFFAOYSA_N =  2.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KJDMPVAHMJBAAO_UHFFFAOYSA_N =  6.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MACRNBCO2H
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: WQOIEXBGIWRREH-UHFFFAOYSA-N
Hvpx_WQOIEXBGIWRREH_UHFFFAOYSA_N =  3.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WQOIEXBGIWRREH_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WQOIEXBGIWRREH_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MACRNCO2H
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: GPIMHHNLFCYMAO-UHFFFAOYSA-N
Hvpx_GPIMHHNLFCYMAO_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GPIMHHNLFCYMAO_UHFFFAOYSA_N =  6.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GPIMHHNLFCYMAO_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C57NO3CO2H
! formula:  C_5H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: VNPCVOYEGJTTSH-UHFFFAOYSA-N
Hvpx_VNPCVOYEGJTTSH_UHFFFAOYSA_N =  1.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_VNPCVOYEGJTTSH_UHFFFAOYSA_N =  3.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_VNPCVOYEGJTTSH_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C58NO3CO2H
! formula:  C_5H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: QOEJXJLKIMUJIJ-UHFFFAOYSA-N
Hvpx_QOEJXJLKIMUJIJ_UHFFFAOYSA_N =  1.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_QOEJXJLKIMUJIJ_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_QOEJXJLKIMUJIJ_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INAHCO2H
! formula:  C_5H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KDGUUBLLRPAORR-UHFFFAOYSA-N
Hvpx_KDGUUBLLRPAORR_UHFFFAOYSA_N =  3.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KDGUUBLLRPAORR_UHFFFAOYSA_N =  3.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KDGUUBLLRPAORR_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INAHPCO2H
! formula:  C_5H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: CHIYBIMSWIBBRD-UHFFFAOYSA-N
Hvpx_CHIYBIMSWIBBRD_UHFFFAOYSA_N =  2.3E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_CHIYBIMSWIBBRD_UHFFFAOYSA_N =  2.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_CHIYBIMSWIBBRD_UHFFFAOYSA_N =  3.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INANCO2H
! formula:  C_5H_8N_2O_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: QEPBKMYMBRWSSY-UHFFFAOYSA-N
Hvpx_QEPBKMYMBRWSSY_UHFFFAOYSA_N =  1.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_QEPBKMYMBRWSSY_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_QEPBKMYMBRWSSY_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1HPCO2H
! formula:  C_5H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: XWZUZABUMCCUCE-UHFFFAOYSA-N
Hvpx_XWZUZABUMCCUCE_UHFFFAOYSA_N =  2.7E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_XWZUZABUMCCUCE_UHFFFAOYSA_N =  1.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XWZUZABUMCCUCE_UHFFFAOYSA_N =  3.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1NACO2H
! formula:  C_5H_8N_2O_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: FONBWUWRCYYCPB-UHFFFAOYSA-N
Hvpx_FONBWUWRCYYCPB_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_FONBWUWRCYYCPB_UHFFFAOYSA_N =  1.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_FONBWUWRCYYCPB_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INB1NBCO2H
! formula:  C_5H_8N_2O_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: YGORAHXKOXOIMV-UHFFFAOYSA-N
Hvpx_YGORAHXKOXOIMV_UHFFFAOYSA_N =  1.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_YGORAHXKOXOIMV_UHFFFAOYSA_N =  7.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YGORAHXKOXOIMV_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INCNCO2H
! formula:  C_5H_8N_2O_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: LXTUVHDUSAOJOD-UHFFFAOYSA-N
Hvpx_LXTUVHDUSAOJOD_UHFFFAOYSA_N =  1.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LXTUVHDUSAOJOD_UHFFFAOYSA_N =  2.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_LXTUVHDUSAOJOD_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C139NO3
! formula:  C_{13}H_{21}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: UFNZJLDHNJULFY-UHFFFAOYSA-N
Hvpx_UFNZJLDHNJULFY_UHFFFAOYSA_N =  8.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UFNZJLDHNJULFY_UHFFFAOYSA_N =  2.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UFNZJLDHNJULFY_UHFFFAOYSA_N =  8.4E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CONM2CO2H
! formula:  C_4H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LTGNKSWVEYSUMY-UHFFFAOYSA-N
Hvpx_LTGNKSWVEYSUMY_UHFFFAOYSA_N =  7.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LTGNKSWVEYSUMY_UHFFFAOYSA_N =  6.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LTGNKSWVEYSUMY_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMALNACO2H
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: REHIBMNEJUPYOU-UHFFFAOYSA-N
Hvpx_REHIBMNEJUPYOU_UHFFFAOYSA_N =  4.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_REHIBMNEJUPYOU_UHFFFAOYSA_N =  1.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_REHIBMNEJUPYOU_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMALNBCO2H
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: RAMGTVAYJVLLRG-UHFFFAOYSA-N
Hvpx_RAMGTVAYJVLLRG_UHFFFAOYSA_N =  4.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RAMGTVAYJVLLRG_UHFFFAOYSA_N =  2.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_RAMGTVAYJVLLRG_UHFFFAOYSA_N =  9.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:INANCOCO2H
! formula:  C_5H_6N_2O_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: XEVMEFHPLZUFAK-UHFFFAOYSA-N
Hvpx_XEVMEFHPLZUFAK_UHFFFAOYSA_N =  9.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XEVMEFHPLZUFAK_UHFFFAOYSA_N =  6.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XEVMEFHPLZUFAK_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C732NO3
! formula:  C_7H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: SXYZBZXZNRYERD-UHFFFAOYSA-N
Hvpx_SXYZBZXZNRYERD_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SXYZBZXZNRYERD_UHFFFAOYSA_N =  1.5E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_SXYZBZXZNRYERD_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C732PAN
! formula:  C_8H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: WNUKRJOERGBBRT-UHFFFAOYSA-N
Hvpx_WNUKRJOERGBBRT_UHFFFAOYSA_N =  3.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WNUKRJOERGBBRT_UHFFFAOYSA_N =  3.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WNUKRJOERGBBRT_UHFFFAOYSA_N =  2.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1211NO3
! formula:  C_{12}H_{19}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: DQVGSELEPUBBSS-UHFFFAOYSA-N
Hvpx_DQVGSELEPUBBSS_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DQVGSELEPUBBSS_UHFFFAOYSA_N =  9.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_DQVGSELEPUBBSS_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1211PAN
! formula:  C_{13}H_{19}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: IROGWMVYBREROI-UHFFFAOYSA-N
Hvpx_IROGWMVYBREROI_UHFFFAOYSA_N =  3.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_IROGWMVYBREROI_UHFFFAOYSA_N =  1.3E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IROGWMVYBREROI_UHFFFAOYSA_N =  5.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C813NO3
! formula:  C_8H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: GYZVFQOTJWTWBE-UHFFFAOYSA-N
Hvpx_GYZVFQOTJWTWBE_UHFFFAOYSA_N =  6.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GYZVFQOTJWTWBE_UHFFFAOYSA_N =  1.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GYZVFQOTJWTWBE_UHFFFAOYSA_N =  7.7E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1212NO3
! formula:  C_{12}H_{19}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: NTNWJSADTNTFHH-UHFFFAOYSA-N
Hvpx_NTNWJSADTNTFHH_UHFFFAOYSA_N =  2.4E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_NTNWJSADTNTFHH_UHFFFAOYSA_N =  4.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_NTNWJSADTNTFHH_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1213NO3
! formula:  C_{12}H_{19}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: FRAJAIDKFGOMCR-UHFFFAOYSA-N
Hvpx_FRAJAIDKFGOMCR_UHFFFAOYSA_N =  2.1E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_FRAJAIDKFGOMCR_UHFFFAOYSA_N =  3.1E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_FRAJAIDKFGOMCR_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1310NO3
! formula:  C_{13}H_{21}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: YNRLOWIUKIUEHR-UHFFFAOYSA-N
Hvpx_YNRLOWIUKIUEHR_UHFFFAOYSA_N =  7.5E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_YNRLOWIUKIUEHR_UHFFFAOYSA_N =  3.8E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_YNRLOWIUKIUEHR_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C151NO3
! formula:  C_{15}H_{25}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: BHPYCCPMXIBJRO-UHFFFAOYSA-N
Hvpx_BHPYCCPMXIBJRO_UHFFFAOYSA_N =  7.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_BHPYCCPMXIBJRO_UHFFFAOYSA_N =  2.1E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_BHPYCCPMXIBJRO_UHFFFAOYSA_N =  6.3E-10                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOOCH2NO3
! formula:  C_2H_3NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: OAQKKIQKQLJUJT-UHFFFAOYSA-N
Hvpx_OAQKKIQKQLJUJT_UHFFFAOYSA_N =  9.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OAQKKIQKQLJUJT_UHFFFAOYSA_N =  3.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OAQKKIQKQLJUJT_UHFFFAOYSA_N =  2.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOOMPAN
! formula:  C_3H_3NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: XZTQWYQUABOKPG-UHFFFAOYSA-N
Hvpx_XZTQWYQUABOKPG_UHFFFAOYSA_N =  3.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XZTQWYQUABOKPG_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XZTQWYQUABOKPG_UHFFFAOYSA_N =  2.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETHFORMNO3
! formula:  C_3H_5NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DOXRBPLNMOIQGP-UHFFFAOYSA-N
Hvpx_DOXRBPLNMOIQGP_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_DOXRBPLNMOIQGP_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_DOXRBPLNMOIQGP_UHFFFAOYSA_N =  3.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METACETNO3
! formula:  C_3H_5NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HRSAJZJMUADCNM-UHFFFAOYSA-N
Hvpx_HRSAJZJMUADCNM_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_HRSAJZJMUADCNM_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HRSAJZJMUADCNM_UHFFFAOYSA_N =  1.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMCFNO3
! formula:  C_3H_3NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: IFMSYUVMGRDEMV-UHFFFAOYSA-N
Hvpx_IFMSYUVMGRDEMV_UHFFFAOYSA_N =  3.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IFMSYUVMGRDEMV_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IFMSYUVMGRDEMV_UHFFFAOYSA_N =  7.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACEC2H4NO3
! formula:  C_4H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QOXSFWPQUXLCPI-UHFFFAOYSA-N
Hvpx_QOXSFWPQUXLCPI_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_QOXSFWPQUXLCPI_UHFFFAOYSA_N =  2.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_QOXSFWPQUXLCPI_UHFFFAOYSA_N =  5.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACETMEPAN
! formula:  C_4H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: QMSGSFOWAUFKPL-UHFFFAOYSA-N
Hvpx_QMSGSFOWAUFKPL_UHFFFAOYSA_N =  4.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QMSGSFOWAUFKPL_UHFFFAOYSA_N =  3.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QMSGSFOWAUFKPL_UHFFFAOYSA_N =  3.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COO2C3PAN
! formula:  C_4H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: YQMLKDOXYNVTNM-UHFFFAOYSA-N
Hvpx_YQMLKDOXYNVTNM_UHFFFAOYSA_N =  4.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YQMLKDOXYNVTNM_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YQMLKDOXYNVTNM_UHFFFAOYSA_N =  7.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETACETNO3
! formula:  C_4H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KORDSAOMZNGUAL-UHFFFAOYSA-N
Hvpx_KORDSAOMZNGUAL_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KORDSAOMZNGUAL_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KORDSAOMZNGUAL_UHFFFAOYSA_N =  2.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRFORMNO3
! formula:  C_4H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DZSICYNSKFSRMV-UHFFFAOYSA-N
Hvpx_DZSICYNSKFSRMV_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_DZSICYNSKFSRMV_UHFFFAOYSA_N =  7.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_DZSICYNSKFSRMV_UHFFFAOYSA_N =  3.0E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBZFUOOH
! formula:  C_4H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: TXWHLSUKLWEERR-UHFFFAOYSA-N
Hvpx_TXWHLSUKLWEERR_UHFFFAOYSA_N =  2.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_TXWHLSUKLWEERR_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_TXWHLSUKLWEERR_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACCOMEPAN
! formula:  C_5H_5NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZQOVYYMCAFZVPL-UHFFFAOYSA-N
Hvpx_ZQOVYYMCAFZVPL_UHFFFAOYSA_N =  1.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZQOVYYMCAFZVPL_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZQOVYYMCAFZVPL_UHFFFAOYSA_N =  2.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACETC2PAN
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: VMVPPLVFXDAZML-UHFFFAOYSA-N
Hvpx_VMVPPLVFXDAZML_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VMVPPLVFXDAZML_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VMVPPLVFXDAZML_UHFFFAOYSA_N =  8.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COO2C4PAN
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: GBAXNZCSCJEGAE-UHFFFAOYSA-N
Hvpx_GBAXNZCSCJEGAE_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GBAXNZCSCJEGAE_UHFFFAOYSA_N =  3.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GBAXNZCSCJEGAE_UHFFFAOYSA_N =  3.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRACBNO3
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZEVCPCUWRCOHCL-UHFFFAOYSA-N
Hvpx_ZEVCPCUWRCOHCL_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_ZEVCPCUWRCOHCL_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZEVCPCUWRCOHCL_UHFFFAOYSA_N =  1.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRACBPAN
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: UJCZQTHKWBYHPW-UHFFFAOYSA-N
Hvpx_UJCZQTHKWBYHPW_UHFFFAOYSA_N =  4.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UJCZQTHKWBYHPW_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UJCZQTHKWBYHPW_UHFFFAOYSA_N =  2.4E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPRACNO3
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JAQKAPGOMZJVBI-UHFFFAOYSA-N
Hvpx_JAQKAPGOMZJVBI_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_JAQKAPGOMZJVBI_UHFFFAOYSA_N =  6.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_JAQKAPGOMZJVBI_UHFFFAOYSA_N =  2.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEAALNO3
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NIMOOIUOXYQIIM-UHFFFAOYSA-N
Hvpx_NIMOOIUOXYQIIM_UHFFFAOYSA_N =  2.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_NIMOOIUOXYQIIM_UHFFFAOYSA_N =  2.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_NIMOOIUOXYQIIM_UHFFFAOYSA_N =  4.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEAALPAN
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: WKTKTTPKCZOXAQ-UHFFFAOYSA-N
Hvpx_WKTKTTPKCZOXAQ_UHFFFAOYSA_N =  5.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WKTKTTPKCZOXAQ_UHFFFAOYSA_N =  8.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WKTKTTPKCZOXAQ_UHFFFAOYSA_N =  5.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPRACANO3
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FPQZKAXTSOKJRB-UHFFFAOYSA-N
Hvpx_FPQZKAXTSOKJRB_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FPQZKAXTSOKJRB_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FPQZKAXTSOKJRB_UHFFFAOYSA_N =  1.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPRACBNO3
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HTKMYQNNJMTEJQ-UHFFFAOYSA-N
Hvpx_HTKMYQNNJMTEJQ_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_HTKMYQNNJMTEJQ_UHFFFAOYSA_N =  2.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_HTKMYQNNJMTEJQ_UHFFFAOYSA_N =  3.4E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPRACCNO3
! formula:  C_5H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PSJLJILPBUYXRJ-UHFFFAOYSA-N
Hvpx_PSJLJILPBUYXRJ_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_PSJLJILPBUYXRJ_UHFFFAOYSA_N =  3.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PSJLJILPBUYXRJ_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPXYFUOOH
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ARRSNVVNYKGUFK-UHFFFAOYSA-N
Hvpx_ARRSNVVNYKGUFK_UHFFFAOYSA_N =  4.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ARRSNVVNYKGUFK_UHFFFAOYSA_N =  6.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ARRSNVVNYKGUFK_UHFFFAOYSA_N =  9.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NTLFUOOH
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: OAXQEILKHMZHNV-UHFFFAOYSA-N
Hvpx_OAXQEILKHMZHNV_UHFFFAOYSA_N =  2.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_OAXQEILKHMZHNV_UHFFFAOYSA_N =  2.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OAXQEILKHMZHNV_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MCOOTBNO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BCWPDUXSEGSVPT-UHFFFAOYSA-N
Hvpx_BCWPDUXSEGSVPT_UHFFFAOYSA_N =  3.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BCWPDUXSEGSVPT_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BCWPDUXSEGSVPT_UHFFFAOYSA_N =  4.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUACANO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GNPRUWODPALWHJ-UHFFFAOYSA-N
Hvpx_GNPRUWODPALWHJ_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_GNPRUWODPALWHJ_UHFFFAOYSA_N =  7.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GNPRUWODPALWHJ_UHFFFAOYSA_N =  3.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUACBNO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UFOXFUDLAIUTHC-UHFFFAOYSA-N
Hvpx_UFOXFUDLAIUTHC_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_UFOXFUDLAIUTHC_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_UFOXFUDLAIUTHC_UHFFFAOYSA_N =  1.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBUACCNO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: PYXJHVBEHHCABK-UHFFFAOYSA-N
Hvpx_PYXJHVBEHHCABK_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_PYXJHVBEHHCABK_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_PYXJHVBEHHCABK_UHFFFAOYSA_N =  4.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NDMMALYOOH
! formula:  C_6H_7NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: RZSLUQVSVWAZFJ-UHFFFAOYSA-N
Hvpx_RZSLUQVSVWAZFJ_UHFFFAOYSA_N =  2.4E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_RZSLUQVSVWAZFJ_UHFFFAOYSA_N =  5.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_RZSLUQVSVWAZFJ_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NEBFUOOH
! formula:  C_6H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: CZSCMTWZZQSKMX-UHFFFAOYSA-N
Hvpx_CZSCMTWZZQSKMX_UHFFFAOYSA_N =  3.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CZSCMTWZZQSKMX_UHFFFAOYSA_N =  3.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CZSCMTWZZQSKMX_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMXYFUOOH
! formula:  C_6H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: URYSYTGABCBDCM-UHFFFAOYSA-N
Hvpx_URYSYTGABCBDCM_UHFFFAOYSA_N =  4.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_URYSYTGABCBDCM_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_URYSYTGABCBDCM_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOXYFUOOH
! formula:  C_6H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: CPPAIMSHWPDUBG-UHFFFAOYSA-N
Hvpx_CPPAIMSHWPDUBG_UHFFFAOYSA_N =  8.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_CPPAIMSHWPDUBG_UHFFFAOYSA_N =  1.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CPPAIMSHWPDUBG_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NTMB1FUOOH
! formula:  C_6H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: WRMOSOIHGVCRMO-UHFFFAOYSA-N
Hvpx_WRMOSOIHGVCRMO_UHFFFAOYSA_N =  4.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_WRMOSOIHGVCRMO_UHFFFAOYSA_N =  3.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WRMOSOIHGVCRMO_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PRCOOMPAN
! formula:  C_6H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: NSDDFRROKVQLRJ-UHFFFAOYSA-N
Hvpx_NSDDFRROKVQLRJ_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NSDDFRROKVQLRJ_UHFFFAOYSA_N =  9.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NSDDFRROKVQLRJ_UHFFFAOYSA_N =  4.0E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:SBUACANO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FWAMAOJLVLFAOA-UHFFFAOYSA-N
Hvpx_FWAMAOJLVLFAOA_UHFFFAOYSA_N =  3.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FWAMAOJLVLFAOA_UHFFFAOYSA_N =  1.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_FWAMAOJLVLFAOA_UHFFFAOYSA_N =  2.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:SBUACBNO3
! formula:  C_6H_{11}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FVMFJLQQOIKLHP-UHFFFAOYSA-N
Hvpx_FVMFJLQQOIKLHP_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FVMFJLQQOIKLHP_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FVMFJLQQOIKLHP_UHFFFAOYSA_N =  1.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TBUACPAN
! formula:  C_6H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: WTCUHXTZKDYOTB-UHFFFAOYSA-N
Hvpx_WTCUHXTZKDYOTB_UHFFFAOYSA_N =  8.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WTCUHXTZKDYOTB_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WTCUHXTZKDYOTB_UHFFFAOYSA_N =  2.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NIPBFUOOH
! formula:  C_7H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: MJSJHBOZYWKETN-UHFFFAOYSA-N
Hvpx_MJSJHBOZYWKETN_UHFFFAOYSA_N =  3.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MJSJHBOZYWKETN_UHFFFAOYSA_N =  4.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MJSJHBOZYWKETN_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMEBFUOOH
! formula:  C_7H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: LKMBYBKEMVMSAU-UHFFFAOYSA-N
Hvpx_LKMBYBKEMVMSAU_UHFFFAOYSA_N =  5.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_LKMBYBKEMVMSAU_UHFFFAOYSA_N =  1.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_LKMBYBKEMVMSAU_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPBFUOOH
! formula:  C_7H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: DGKCEZHRNXTHAZ-UHFFFAOYSA-N
Hvpx_DGKCEZHRNXTHAZ_UHFFFAOYSA_N =  3.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_DGKCEZHRNXTHAZ_UHFFFAOYSA_N =  5.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DGKCEZHRNXTHAZ_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NTMB2FUOOH
! formula:  C_7H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: IRLXCLTZUJZGMJ-UHFFFAOYSA-N
Hvpx_IRLXCLTZUJZGMJ_UHFFFAOYSA_N =  8.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_IRLXCLTZUJZGMJ_UHFFFAOYSA_N =  3.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IRLXCLTZUJZGMJ_UHFFFAOYSA_N =  2.3E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1013NO3
! formula:  C_{10}H_{17}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: TWKDJCLTDHUPBZ-UHFFFAOYSA-N
Hvpx_TWKDJCLTDHUPBZ_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_TWKDJCLTDHUPBZ_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_TWKDJCLTDHUPBZ_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1013PAN
! formula:  C_{11}H_{17}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: QVQKWVAIHQGLJY-UHFFFAOYSA-N
Hvpx_QVQKWVAIHQGLJY_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QVQKWVAIHQGLJY_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QVQKWVAIHQGLJY_UHFFFAOYSA_N =  4.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C1014NO3
! formula:  C_{10}H_{17}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: OQZDTLQTCPZSBL-UHFFFAOYSA-N
Hvpx_OQZDTLQTCPZSBL_UHFFFAOYSA_N =  7.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OQZDTLQTCPZSBL_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OQZDTLQTCPZSBL_UHFFFAOYSA_N =  7.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C152NO3
! formula:  C_{15}H_{25}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: VUWXYQDBWQFZDF-UHFFFAOYSA-N
Hvpx_VUWXYQDBWQFZDF_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VUWXYQDBWQFZDF_UHFFFAOYSA_N =  4.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VUWXYQDBWQFZDF_UHFFFAOYSA_N =  7.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NBZFUONE
! formula:  C_4H_3NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LXADUFLCRLLGHU-UHFFFAOYSA-N
Hvpx_LXADUFLCRLLGHU_UHFFFAOYSA_N =  2.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LXADUFLCRLLGHU_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LXADUFLCRLLGHU_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3CPAN
! formula:  C_5H_5NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: BCRDXKGRUUAZSU-UHFFFAOYSA-N
Hvpx_BCRDXKGRUUAZSU_UHFFFAOYSA_N =  7.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BCRDXKGRUUAZSU_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BCRDXKGRUUAZSU_UHFFFAOYSA_N =  1.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ACBUONANO3
! formula:  C_6H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: PDSBHIWVTCGSAN-UHFFFAOYSA-N
Hvpx_PDSBHIWVTCGSAN_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PDSBHIWVTCGSAN_UHFFFAOYSA_N =  2.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PDSBHIWVTCGSAN_UHFFFAOYSA_N =  6.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3MCPAN
! formula:  C_6H_7NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: MJYWDTPJLIMPPV-UHFFFAOYSA-N
Hvpx_MJYWDTPJLIMPPV_UHFFFAOYSA_N =  7.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MJYWDTPJLIMPPV_UHFFFAOYSA_N =  9.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MJYWDTPJLIMPPV_UHFFFAOYSA_N =  2.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NEBFUONE
! formula:  C_6H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LZGWKDALCOZNIJ-UHFFFAOYSA-N
Hvpx_LZGWKDALCOZNIJ_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LZGWKDALCOZNIJ_UHFFFAOYSA_N =  2.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LZGWKDALCOZNIJ_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C23O3ECPAN
! formula:  C_7H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: SOMJWLUSPZTMJM-UHFFFAOYSA-N
Hvpx_SOMJWLUSPZTMJM_UHFFFAOYSA_N =  9.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_SOMJWLUSPZTMJM_UHFFFAOYSA_N =  1.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SOMJWLUSPZTMJM_UHFFFAOYSA_N =  3.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NIPBFUONE
! formula:  C_7H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: OEYHEYBMUYSQHE-UHFFFAOYSA-N
Hvpx_OEYHEYBMUYSQHE_UHFFFAOYSA_N =  4.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OEYHEYBMUYSQHE_UHFFFAOYSA_N =  2.7E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_OEYHEYBMUYSQHE_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPBFUONE
! formula:  C_7H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: WTNUMEKWPLLNDJ-UHFFFAOYSA-N
Hvpx_WTNUMEKWPLLNDJ_UHFFFAOYSA_N =  4.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WTNUMEKWPLLNDJ_UHFFFAOYSA_N =  3.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_WTNUMEKWPLLNDJ_UHFFFAOYSA_N =  8.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3OCH2NO3
! formula:  C_2H_5NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: VHAYDBAVTGOZLW-UHFFFAOYSA-N
Hvpx_VHAYDBAVTGOZLW_UHFFFAOYSA_N =  1.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_VHAYDBAVTGOZLW_UHFFFAOYSA_N =  1.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_VHAYDBAVTGOZLW_UHFFFAOYSA_N =  1.2E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMMANO3
! formula:  C_3H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZKGVKOFAVUIIEY-UHFFFAOYSA-N
Hvpx_ZKGVKOFAVUIIEY_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZKGVKOFAVUIIEY_UHFFFAOYSA_N =  9.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZKGVKOFAVUIIEY_UHFFFAOYSA_N =  1.8E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMMBNO3
! formula:  C_3H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ADJOFNYUECRONI-UHFFFAOYSA-N
Hvpx_ADJOFNYUECRONI_UHFFFAOYSA_N =  5.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ADJOFNYUECRONI_UHFFFAOYSA_N =  5.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_ADJOFNYUECRONI_UHFFFAOYSA_N =  3.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETOMENO3
! formula:  C_3H_7NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZMUPMMOTQUHRHQ-UHFFFAOYSA-N
Hvpx_ZMUPMMOTQUHRHQ_UHFFFAOYSA_N =  9.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_ZMUPMMOTQUHRHQ_UHFFFAOYSA_N =  8.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_ZMUPMMOTQUHRHQ_UHFFFAOYSA_N =  1.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MEMOXYPAN
! formula:  C_3H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JBHGAGLULWBGCW-UHFFFAOYSA-N
Hvpx_JBHGAGLULWBGCW_UHFFFAOYSA_N =  5.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JBHGAGLULWBGCW_UHFFFAOYSA_N =  2.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JBHGAGLULWBGCW_UHFFFAOYSA_N =  5.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DIETETNO3
! formula:  C_4H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CAMRTYJYAQGENN-UHFFFAOYSA-N
Hvpx_CAMRTYJYAQGENN_UHFFFAOYSA_N =  2.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_CAMRTYJYAQGENN_UHFFFAOYSA_N =  1.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_CAMRTYJYAQGENN_UHFFFAOYSA_N =  7.5E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETOC2NO3
! formula:  C_4H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: GDNQXPDYGNUKII-UHFFFAOYSA-N
Hvpx_GDNQXPDYGNUKII_UHFFFAOYSA_N =  2.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_GDNQXPDYGNUKII_UHFFFAOYSA_N =  2.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_GDNQXPDYGNUKII_UHFFFAOYSA_N =  1.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETOMEPAN
! formula:  C_4H_7NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CCYZAMBLJVQHMC-UHFFFAOYSA-N
Hvpx_CCYZAMBLJVQHMC_UHFFFAOYSA_N =  5.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CCYZAMBLJVQHMC_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CCYZAMBLJVQHMC_UHFFFAOYSA_N =  4.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPROC21NO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YQGFTPNVRZNXAP-UHFFFAOYSA-N
Hvpx_YQGFTPNVRZNXAP_UHFFFAOYSA_N =  2.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_YQGFTPNVRZNXAP_UHFFFAOYSA_N =  2.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_YQGFTPNVRZNXAP_UHFFFAOYSA_N =  6.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEANO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NXHUJDLNRCHXIE-UHFFFAOYSA-N
Hvpx_NXHUJDLNRCHXIE_UHFFFAOYSA_N =  3.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_NXHUJDLNRCHXIE_UHFFFAOYSA_N =  2.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_NXHUJDLNRCHXIE_UHFFFAOYSA_N =  6.6E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEBNO3
! formula:  C_5H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: HWZCMFJGZXOLOM-UHFFFAOYSA-N
Hvpx_HWZCMFJGZXOLOM_UHFFFAOYSA_N =  3.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_HWZCMFJGZXOLOM_UHFFFAOYSA_N =  8.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_HWZCMFJGZXOLOM_UHFFFAOYSA_N =  1.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTBEBPAN
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: PQCDPGWYIKXNFH-UHFFFAOYSA-N
Hvpx_PQCDPGWYIKXNFH_UHFFFAOYSA_N =  1.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PQCDPGWYIKXNFH_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PQCDPGWYIKXNFH_UHFFFAOYSA_N =  9.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXMPAN
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CPESEOWHBGRFRT-UHFFFAOYSA-N
Hvpx_CPESEOWHBGRFRT_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CPESEOWHBGRFRT_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CPESEOWHBGRFRT_UHFFFAOYSA_N =  1.7E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DIIPRETNO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: RYKOUPKPIPKSCM-UHFFFAOYSA-N
Hvpx_RYKOUPKPIPKSCM_UHFFFAOYSA_N =  3.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_RYKOUPKPIPKSCM_UHFFFAOYSA_N =  1.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_RYKOUPKPIPKSCM_UHFFFAOYSA_N =  3.6E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBEANO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WGHLTNOFPVNDHK-UHFFFAOYSA-N
Hvpx_WGHLTNOFPVNDHK_UHFFFAOYSA_N =  4.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_WGHLTNOFPVNDHK_UHFFFAOYSA_N =  1.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_WGHLTNOFPVNDHK_UHFFFAOYSA_N =  1.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBEAPAN
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZFJPSAIQYMAFAB-UHFFFAOYSA-N
Hvpx_ZFJPSAIQYMAFAB_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFJPSAIQYMAFAB_UHFFFAOYSA_N =  6.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ZFJPSAIQYMAFAB_UHFFFAOYSA_N =  1.5E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBEBNO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BIDDBAQEKWTVIC-UHFFFAOYSA-N
Hvpx_BIDDBAQEKWTVIC_UHFFFAOYSA_N =  3.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_BIDDBAQEKWTVIC_UHFFFAOYSA_N =  7.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_BIDDBAQEKWTVIC_UHFFFAOYSA_N =  4.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBECNO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MGOGEALWXAMIEO-UHFFFAOYSA-N
Hvpx_MGOGEALWXAMIEO_UHFFFAOYSA_N =  4.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_MGOGEALWXAMIEO_UHFFFAOYSA_N =  1.4E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_MGOGEALWXAMIEO_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ETBECPAN
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JICVHVAZXJWJCM-UHFFFAOYSA-N
Hvpx_JICVHVAZXJWJCM_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JICVHVAZXJWJCM_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_JICVHVAZXJWJCM_UHFFFAOYSA_N =  2.6E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPROMC2NO3
! formula:  C_6H_{13}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XJQWDDGHWZGMDK-UHFFFAOYSA-N
Hvpx_XJQWDDGHWZGMDK_UHFFFAOYSA_N =  2.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_XJQWDDGHWZGMDK_UHFFFAOYSA_N =  1.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_XJQWDDGHWZGMDK_UHFFFAOYSA_N =  1.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPROMCPAN
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: SFYHCJJQTXJNNN-UHFFFAOYSA-N
Hvpx_SFYHCJJQTXJNNN_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SFYHCJJQTXJNNN_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SFYHCJJQTXJNNN_UHFFFAOYSA_N =  1.4E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MO2EOLANO3
! formula:  C_3H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FJVLHDUAJQRZPG-UHFFFAOYSA-N
Hvpx_FJVLHDUAJQRZPG_UHFFFAOYSA_N =  4.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FJVLHDUAJQRZPG_UHFFFAOYSA_N =  9.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FJVLHDUAJQRZPG_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MO2EOLBNO3
! formula:  C_3H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QPXHYMSZINTGRC-UHFFFAOYSA-N
Hvpx_QPXHYMSZINTGRC_UHFFFAOYSA_N =  5.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QPXHYMSZINTGRC_UHFFFAOYSA_N =  4.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QPXHYMSZINTGRC_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EOX2OLANO3
! formula:  C_4H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UVLBVBPSPHSYND-UHFFFAOYSA-N
Hvpx_UVLBVBPSPHSYND_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UVLBVBPSPHSYND_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UVLBVBPSPHSYND_UHFFFAOYSA_N =  2.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EOX2OLBNO3
! formula:  C_4H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DLOZDRFLLIHYBD-UHFFFAOYSA-N
Hvpx_DLOZDRFLLIHYBD_UHFFFAOYSA_N =  5.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DLOZDRFLLIHYBD_UHFFFAOYSA_N =  1.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DLOZDRFLLIHYBD_UHFFFAOYSA_N =  6.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:H2C3OCNO3
! formula:  C_4H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VJBSYBJCULHXOZ-UHFFFAOYSA-N
Hvpx_VJBSYBJCULHXOZ_UHFFFAOYSA_N =  5.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VJBSYBJCULHXOZ_UHFFFAOYSA_N =  6.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VJBSYBJCULHXOZ_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PR2OHMONO3
! formula:  C_4H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YOBYTHKQRGEURN-UHFFFAOYSA-N
Hvpx_YOBYTHKQRGEURN_UHFFFAOYSA_N =  4.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YOBYTHKQRGEURN_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YOBYTHKQRGEURN_UHFFFAOYSA_N =  6.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IEAPAN
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: NFJKKZSQGXUZSI-UHFFFAOYSA-N
Hvpx_NFJKKZSQGXUZSI_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NFJKKZSQGXUZSI_UHFFFAOYSA_N =  2.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_NFJKKZSQGXUZSI_UHFFFAOYSA_N =  5.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IECPAN
! formula:  C_5H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: UMKIAKGFUATPHT-UHFFFAOYSA-N
Hvpx_UMKIAKGFUATPHT_UHFFFAOYSA_N =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UMKIAKGFUATPHT_UHFFFAOYSA_N =  6.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UMKIAKGFUATPHT_UHFFFAOYSA_N =  6.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXEOHANO3
! formula:  C_6H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NBMGDPHUZJHVTA-UHFFFAOYSA-N
Hvpx_NBMGDPHUZJHVTA_UHFFFAOYSA_N =  8.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NBMGDPHUZJHVTA_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NBMGDPHUZJHVTA_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXEOHBNO3
! formula:  C_6H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YIIBDLSBOAJITL-UHFFFAOYSA-N
Hvpx_YIIBDLSBOAJITL_UHFFFAOYSA_N =  7.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YIIBDLSBOAJITL_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YIIBDLSBOAJITL_UHFFFAOYSA_N =  1.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXPOLANO3
! formula:  C_7H_{15}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QDPFCROPCZKQGS-UHFFFAOYSA-N
Hvpx_QDPFCROPCZKQGS_UHFFFAOYSA_N =  9.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_QDPFCROPCZKQGS_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_QDPFCROPCZKQGS_UHFFFAOYSA_N =  3.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXPOLBNO3
! formula:  C_7H_{15}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UNWFJVCQCSAFHA-UHFFFAOYSA-N
Hvpx_UNWFJVCQCSAFHA_UHFFFAOYSA_N =  8.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UNWFJVCQCSAFHA_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UNWFJVCQCSAFHA_UHFFFAOYSA_N =  2.7E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BCSOZNO3
! formula:  C_{15}H_{25}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: HGUJSQZJFHDFKY-UHFFFAOYSA-N
Hvpx_HGUJSQZJFHDFKY_UHFFFAOYSA_N =  4.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_HGUJSQZJFHDFKY_UHFFFAOYSA_N =  1.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_HGUJSQZJFHDFKY_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXDLPAN
! formula:  C_4H_3NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: VASNFLPKLUXZKF-UHFFFAOYSA-N
Hvpx_VASNFLPKLUXZKF_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VASNFLPKLUXZKF_UHFFFAOYSA_N =  4.6E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VASNFLPKLUXZKF_UHFFFAOYSA_N =  6.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXMDLPAN
! formula:  C_5H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KZASOTCYMWAOFE-UHFFFAOYSA-N
Hvpx_KZASOTCYMWAOFE_UHFFFAOYSA_N =  3.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KZASOTCYMWAOFE_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KZASOTCYMWAOFE_UHFFFAOYSA_N =  1.6E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZEMUCPAN
! formula:  C_6H_5NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: RFFCGVCNFANFMQ-UHFFFAOYSA-N
Hvpx_RFFCGVCNFANFMQ_UHFFFAOYSA_N =  6.0E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_RFFCGVCNFANFMQ_UHFFFAOYSA_N =  5.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_RFFCGVCNFANFMQ_UHFFFAOYSA_N =  7.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXM2DLPAN
! formula:  C_6H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KYBHJMDXHJGYTK-UHFFFAOYSA-N
Hvpx_KYBHJMDXHJGYTK_UHFFFAOYSA_N =  5.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_KYBHJMDXHJGYTK_UHFFFAOYSA_N =  8.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KYBHJMDXHJGYTK_UHFFFAOYSA_N =  1.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXMEDLPAN
! formula:  C_7H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: XUUSESMFYTYXHU-UHFFFAOYSA-N
Hvpx_XUUSESMFYTYXHU_UHFFFAOYSA_N =  6.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_XUUSESMFYTYXHU_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_XUUSESMFYTYXHU_UHFFFAOYSA_N =  1.2E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYMUCPAN
! formula:  C_8H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: VIRSPYOLFRMIKR-UHFFFAOYSA-N
Hvpx_VIRSPYOLFRMIKR_UHFFFAOYSA_N =  2.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_VIRSPYOLFRMIKR_UHFFFAOYSA_N =  7.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_VIRSPYOLFRMIKR_UHFFFAOYSA_N =  4.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLMUCPAN
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: PYAKBDFKVOPHPS-UHFFFAOYSA-N
Hvpx_PYAKBDFKVOPHPS_UHFFFAOYSA_N =  2.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_PYAKBDFKVOPHPS_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PYAKBDFKVOPHPS_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BZEMUCNO3
! formula:  C_6H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: UGJSRYKPNYMSMJ-UHFFFAOYSA-N
Hvpx_UGJSRYKPNYMSMJ_UHFFFAOYSA_N =  4.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UGJSRYKPNYMSMJ_UHFFFAOYSA_N =  3.3E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UGJSRYKPNYMSMJ_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXYMUCNO3
! formula:  C_8H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: PMXJWIAVDRSVOJ-UHFFFAOYSA-N
Hvpx_PMXJWIAVDRSVOJ_UHFFFAOYSA_N =  7.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PMXJWIAVDRSVOJ_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_PMXJWIAVDRSVOJ_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OETLMUCNO3
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KUQUSIKCNRTUGT-UHFFFAOYSA-N
Hvpx_KUQUSIKCNRTUGT_UHFFFAOYSA_N =  8.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KUQUSIKCNRTUGT_UHFFFAOYSA_N =  2.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KUQUSIKCNRTUGT_UHFFFAOYSA_N =  7.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXKTMPAN
! formula:  C_6H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: DBXZZDVADSLSOS-UHFFFAOYSA-N
Hvpx_DBXZZDVADSLSOS_UHFFFAOYSA_N =  5.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DBXZZDVADSLSOS_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DBXZZDVADSLSOS_UHFFFAOYSA_N =  5.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXMKTPAN
! formula:  C_6H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: UTKXQAWEMGMHOV-UHFFFAOYSA-N
Hvpx_UTKXQAWEMGMHOV_UHFFFAOYSA_N =  5.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UTKXQAWEMGMHOV_UHFFFAOYSA_N =  2.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_UTKXQAWEMGMHOV_UHFFFAOYSA_N =  1.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BOXPROANO3
! formula:  C_7H_{13}NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FWQXAWHLSYKKGA-UHFFFAOYSA-N
Hvpx_FWQXAWHLSYKKGA_UHFFFAOYSA_N =  5.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_FWQXAWHLSYKKGA_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FWQXAWHLSYKKGA_UHFFFAOYSA_N =  4.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EPXEKTPAN
! formula:  C_7H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZMAMXAXJQIDKIS-UHFFFAOYSA-N
Hvpx_ZMAMXAXJQIDKIS_UHFFFAOYSA_N =  5.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZMAMXAXJQIDKIS_UHFFFAOYSA_N =  3.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZMAMXAXJQIDKIS_UHFFFAOYSA_N =  1.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLEMUCPAN
! formula:  C_7H_7NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: AUCFXVOKAUAJMN-UHFFFAOYSA-N
Hvpx_AUCFXVOKAUAJMN_UHFFFAOYSA_N =  9.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_AUCFXVOKAUAJMN_UHFFFAOYSA_N =  2.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_AUCFXVOKAUAJMN_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBZMUCPAN
! formula:  C_8H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: IJCUBYYAOSTAFY-UHFFFAOYSA-N
Hvpx_IJCUBYYAOSTAFY_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IJCUBYYAOSTAFY_UHFFFAOYSA_N =  5.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IJCUBYYAOSTAFY_UHFFFAOYSA_N =  5.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYMUCPAN
! formula:  C_8H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: FZEVZMXGRRYMCK-UHFFFAOYSA-N
Hvpx_FZEVZMXGRRYMCK_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_FZEVZMXGRRYMCK_UHFFFAOYSA_N =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FZEVZMXGRRYMCK_UHFFFAOYSA_N =  4.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYMUCPAN
! formula:  C_8H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: JEHOQLADMHJYMP-UHFFFAOYSA-N
Hvpx_JEHOQLADMHJYMP_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JEHOQLADMHJYMP_UHFFFAOYSA_N =  9.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JEHOQLADMHJYMP_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBZMUCPAN
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: JAYKUYZEOSXCLM-UHFFFAOYSA-N
Hvpx_JAYKUYZEOSXCLM_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JAYKUYZEOSXCLM_UHFFFAOYSA_N =  8.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JAYKUYZEOSXCLM_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLMUCPAN
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZBESLNAUTTYMKY-UHFFFAOYSA-N
Hvpx_ZBESLNAUTTYMKY_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZBESLNAUTTYMKY_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZBESLNAUTTYMKY_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZMUCPAN
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: BNKFVONIJIEPHK-UHFFFAOYSA-N
Hvpx_BNKFVONIJIEPHK_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BNKFVONIJIEPHK_UHFFFAOYSA_N =  9.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BNKFVONIJIEPHK_UHFFFAOYSA_N =  8.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLMUCPAN
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZDDBRQJYUBFFIJ-UHFFFAOYSA-N
Hvpx_ZDDBRQJYUBFFIJ_UHFFFAOYSA_N =  2.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDDBRQJYUBFFIJ_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZDDBRQJYUBFFIJ_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124MUPAN
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: TXJRVENADFPPLH-UHFFFAOYSA-N
Hvpx_TXJRVENADFPPLH_UHFFFAOYSA_N =  3.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_TXJRVENADFPPLH_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_TXJRVENADFPPLH_UHFFFAOYSA_N =  3.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM135MUPAN
! formula:  C_9H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: APWJKVMWYCHHEO-UHFFFAOYSA-N
Hvpx_APWJKVMWYCHHEO_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_APWJKVMWYCHHEO_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_APWJKVMWYCHHEO_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMEBMUPAN
! formula:  C_{10}H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: OJIPANRKTQADST-UHFFFAOYSA-N
Hvpx_OJIPANRKTQADST_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_OJIPANRKTQADST_UHFFFAOYSA_N =  2.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OJIPANRKTQADST_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DETLMUPAN
! formula:  C_{11}H_{15}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: WGGPAZKPQBFIGY-UHFFFAOYSA-N
Hvpx_WGGPAZKPQBFIGY_UHFFFAOYSA_N =  3.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WGGPAZKPQBFIGY_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WGGPAZKPQBFIGY_UHFFFAOYSA_N =  3.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123MUNO3
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: CNKHLWZBBXJTJR-UHFFFAOYSA-N
Hvpx_CNKHLWZBBXJTJR_UHFFFAOYSA_N =  1.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CNKHLWZBBXJTJR_UHFFFAOYSA_N =  1.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_CNKHLWZBBXJTJR_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TLEMUCNO3
! formula:  C_7H_9NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KLAQKLFQZHHGRD-UHFFFAOYSA-N
Hvpx_KLAQKLFQZHHGRD_UHFFFAOYSA_N =  3.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_KLAQKLFQZHHGRD_UHFFFAOYSA_N =  1.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_KLAQKLFQZHHGRD_UHFFFAOYSA_N =  6.6E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBZMUCNO3
! formula:  C_8H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZZJNOSBMORNYPY-UHFFFAOYSA-N
Hvpx_ZZJNOSBMORNYPY_UHFFFAOYSA_N =  4.0E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_ZZJNOSBMORNYPY_UHFFFAOYSA_N =  2.7E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_ZZJNOSBMORNYPY_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXYMUCNO3
! formula:  C_8H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: YZJRXCREGHPQLR-UHFFFAOYSA-N
Hvpx_YZJRXCREGHPQLR_UHFFFAOYSA_N =  6.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_YZJRXCREGHPQLR_UHFFFAOYSA_N =  7.0E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_YZJRXCREGHPQLR_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXYMUCNO3
! formula:  C_8H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: GICKPQRZPMBHKH-UHFFFAOYSA-N
Hvpx_GICKPQRZPMBHKH_UHFFFAOYSA_N =  6.4E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_GICKPQRZPMBHKH_UHFFFAOYSA_N =  5.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_GICKPQRZPMBHKH_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBZMUCNO3
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: UHFJHZLCDDVXBJ-UHFFFAOYSA-N
Hvpx_UHFJHZLCDDVXBJ_UHFFFAOYSA_N =  4.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_UHFJHZLCDDVXBJ_UHFFFAOYSA_N =  3.6E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_UHFJHZLCDDVXBJ_UHFFFAOYSA_N =  5.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:METLMUCNO3
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: WWNOXWKNSLKIMY-UHFFFAOYSA-N
Hvpx_WWNOXWKNSLKIMY_UHFFFAOYSA_N =  7.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_WWNOXWKNSLKIMY_UHFFFAOYSA_N =  1.2E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WWNOXWKNSLKIMY_UHFFFAOYSA_N =  5.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBZMUCNO3
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: QLDJRFHCOXXYTH-UHFFFAOYSA-N
Hvpx_QLDJRFHCOXXYTH_UHFFFAOYSA_N =  5.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_QLDJRFHCOXXYTH_UHFFFAOYSA_N =  3.8E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_QLDJRFHCOXXYTH_UHFFFAOYSA_N =  5.8E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PETLMUCNO3
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: PIVPLJYVWKBKLM-UHFFFAOYSA-N
Hvpx_PIVPLJYVWKBKLM_UHFFFAOYSA_N =  7.2E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_PIVPLJYVWKBKLM_UHFFFAOYSA_N =  9.5E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PIVPLJYVWKBKLM_UHFFFAOYSA_N =  5.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124MUNO3
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: NIRISDMZVMYRLC-UHFFFAOYSA-N
Hvpx_NIRISDMZVMYRLC_UHFFFAOYSA_N =  2.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NIRISDMZVMYRLC_UHFFFAOYSA_N =  7.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_NIRISDMZVMYRLC_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM135MUNO3
! formula:  C_9H_{13}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: WYJKGTDXAIWZNI-UHFFFAOYSA-N
Hvpx_WYJKGTDXAIWZNI_UHFFFAOYSA_N =  2.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WYJKGTDXAIWZNI_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_WYJKGTDXAIWZNI_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMEBMUNO3
! formula:  C_{10}H_{15}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: KKQBKVQGVIRRAG-UHFFFAOYSA-N
Hvpx_KKQBKVQGVIRRAG_UHFFFAOYSA_N =  2.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KKQBKVQGVIRRAG_UHFFFAOYSA_N =  7.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_KKQBKVQGVIRRAG_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DETLMUNO3
! formula:  C_{11}H_{17}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: YPPYKYPDSBIFHG-UHFFFAOYSA-N
Hvpx_YPPYKYPDSBIFHG_UHFFFAOYSA_N =  3.8E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_YPPYKYPDSBIFHG_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YPPYKYPDSBIFHG_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMCNO3
! formula:  C_3H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: XNSIPMZBSRCICM-UHFFFAOYSA-N
Hvpx_XNSIPMZBSRCICM_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_XNSIPMZBSRCICM_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_XNSIPMZBSRCICM_UHFFFAOYSA_N =  1.0E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MMFNO3
! formula:  C_3H_5NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: KROMLYNKDFILIM-UHFFFAOYSA-N
Hvpx_KROMLYNKDFILIM_UHFFFAOYSA_N =  3.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_KROMLYNKDFILIM_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KROMLYNKDFILIM_UHFFFAOYSA_N =  1.2E+01                                  ! [atm] type: Q, ref: 3409

! species:  ISOP1N5OOH
! formula:  C_5H_9NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: LLNBZHMZWYQLAS-UHFFFAOYSA-N
Hvpx_LLNBZHMZWYQLAS_UHFFFAOYSA_N =  2.4E-08 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C520ONO2
! formula:  C_5H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZSADVAXZKGJKSG-UHFFFAOYSA-N
Hvpx_ZSADVAXZKGJKSG_UHFFFAOYSA_N =  1.9E-10 * EXP( -21000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  ROO6R6ONO2
! formula:  C_6H_{11}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: CRECMHNOVVIMCR-UHFFFAOYSA-N
Hvpx_CRECMHNOVVIMCR_UHFFFAOYSA_N =  8.9E-07 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  C624ONO2
! formula:  C_6H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: XYBUKFJLXVIRLY-UHFFFAOYSA-N
Hvpx_XYBUKFJLXVIRLY_UHFFFAOYSA_N =  2.8E-11 * EXP( -19000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  ROO6R5ONO2
! formula:  C_7H_{11}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: LNWOWXJMUJHMJJ-UHFFFAOYSA-N
Hvpx_LNWOWXJMUJHMJJ_UHFFFAOYSA_N =  3.3E-06 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  ROO6R1ONO2
! formula:  C_{10}H_{17}NO_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: JOFCABYMPNXMIS-UHFFFAOYSA-N
Hvpx_JOFCABYMPNXMIS_UHFFFAOYSA_N =  4.0E-03 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  LIMAB15ONO2OOH
! formula:  C_{10}H_{19}NO_7
! trivial:  
! casrn:    UNKNOWN
! inchikey: JBKULLYZCMWERK-UHFFFAOYSA-N
Hvpx_JBKULLYZCMWERK_UHFFFAOYSA_N =  1.1E-10 * EXP( -19000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3765

! species:  isocyanic acid
! formula:  HNCO
! trivial:  
! casrn:    75-13-8
! inchikey: OWIKHYCFFJSOEH-UHFFFAOYSA-N
Hvpx______75_13_8 =  2.8E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3525
Hvpx______75_13_8 =  2.1E+00 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3411
Hvpx______75_13_8 =  2.6E+00                                  ! [atm] type: M, ref: 2805

! species:  methyl isocyanate
! formula:  CH_3NCO
! trivial:  
! casrn:    624-83-9
! inchikey: HAMGRBXTJNITHG-UHFFFAOYSA-N
Hvpx_____624_83_9 =  4.1E+01                                  ! [atm] type: M, ref: 3525

! species:  hydroxyacetonitrile
! formula:  C_2H_3NO
! trivial:  glycolonitrile
! casrn:    107-16-4
! inchikey: LTYRAPJYLUPLCI-UHFFFAOYSA-N
Hvpx_____107_16_4 =  4.1E-01                                  ! [atm] type: Q, ref: 3088

! species:  2-hydroxypropanenitrile
! formula:  C_3H_5NO
! trivial:  
! casrn:    78-97-7
! inchikey: WOFDVDFSGLBFAC-UHFFFAOYSA-N
Hvpx______78_97_7 =  5.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  3-hydroxypropanenitrile
! formula:  C_3H_5NO
! trivial:  ethylene cyanohydrin
! casrn:    109-78-4
! inchikey: WSGYTJNNHPZFKR-UHFFFAOYSA-N
Hvpx_____109_78_4 =  4.2E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____109_78_4 =  2.4E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____109_78_4 =  1.7E-03                                  ! [atm] type: Q, ref: 3586

! species:  methyl cyanoacetate
! formula:  C_4H_5NO_2
! trivial:  
! casrn:    105-34-0
! inchikey: ANGDWNBGPBMQHW-UHFFFAOYSA-N
Hvpx_____105_34_0 =  1.6E-02                                  ! [atm] type: ?, ref: 3766

! species:  cyanoethanoic acid, ethyl ester
! formula:  C_5H_7NO_2
! trivial:  ethyl cyanoacetate
! casrn:    105-56-6
! inchikey: ZIUSEGSNTOUIPT-UHFFFAOYSA-N
Hvpx_____105_56_6 =  1.6E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____105_56_6 =  1.6E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____105_56_6 =  4.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____105_56_6 =  7.1E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____105_56_6 =  1.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____105_56_6 =  7.1E-02                                  ! [atm] type: Q, ref: 3731
Hvpx_____105_56_6 =  1.6E-02                                  ! [atm] type: ?, ref: 2440

! species:  2-hydroxybenzoic acid nitrile
! formula:  C_7H_5NO
! trivial:  2-cyanophenol
! casrn:    611-20-1
! inchikey: CHZCERSEMVWNHL-UHFFFAOYSA-N
Hvpx_____611_20_1 =  2.0E-02                                  ! [atm] type: Q, ref: 2521

! species:  3-hydroxybenzoic acid nitrile
! formula:  C_7H_5NO
! trivial:  3-cyanophenol
! casrn:    873-62-1
! inchikey: SGHBRHKBCLLVCI-UHFFFAOYSA-N
Hvpx_____873_62_1 =  1.4E-05                                  ! [atm] type: Q, ref: 2521
Hvpx_____873_62_1 =  3.5E-04                                  ! [atm] type: Q, ref: 2530
Hvpx_____873_62_1 =  1.5E-04                                  ! [atm] type: Q, ref: 2543
Hvpx_____873_62_1 =  1.7E-06                                  ! [atm] type: Q, ref: 984
Hvpx_____873_62_1 =  1.5E-04                                  ! [atm] type: ?, ref: 1500

! species:  4-hydroxybenzoic acid nitrile
! formula:  C_7H_5NO
! trivial:  4-cyanophenol
! casrn:    767-00-0
! inchikey: CVNOWLNNPYYEOH-UHFFFAOYSA-N
Hvpx_____767_00_0 =  4.0E-05                                  ! [atm] type: Q, ref: 2521
Hvpx_____767_00_0 =  2.8E-04                                  ! [atm] type: Q, ref: 2530
Hvpx_____767_00_0 =  1.7E-06                                  ! [atm] type: Q, ref: 984
Hvpx_____767_00_0 =  4.7E-05                                  ! [atm] type: ?, ref: 1500

! species:  phenyl isocyanate
! formula:  C_7H_5NO
! trivial:  
! casrn:    103-71-9
! inchikey: DGTNSSLYPYDJGL-UHFFFAOYSA-N
Hvpx_____103_71_9 =  2.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____103_71_9 =  2.2E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____103_71_9 =  3.0E+04                                  ! [atm] type: ?, ref: 2440

! species:  1,1',1''-nitrilotris-2-propanol
! formula:  C_9H_{21}NO_3
! trivial:  triisopropanolamine
! casrn:    122-20-3
! inchikey: SLINHMUFWFWBMU-UHFFFAOYSA-N
Hvpx_____122_20_3 =  5.4E-07                                  ! [atm] type: Q, ref: 3088

! species:  cyometrinil
! formula:  C_{10}H_7N_3O
! trivial:  
! casrn:    78370-21-5
! inchikey: PYKLUAIDKVVEOS-JLHYYAGUSA-N
Hvpx___78370_21_5 =  5.0E-05                                  ! [atm] type: ?, ref: 3087

! species:  fenpropathrin
! formula:  C_{22}H_{23}NO_3
! trivial:  
! casrn:    39515-41-8
! inchikey: XQUXKZZNEFRCAW-UHFFFAOYSA-N
Hvpx___39515_41_8 =  1.0E+01                                  ! [atm] type: V, ref: 3088
Hvpx___39515_41_8 =  3.3E-02                                  ! [atm] type: V, ref: 2973

! species:  nitromethane
! formula:  CH_3NO_2
! trivial:  
! casrn:    75-52-5
! inchikey: LYGJENNIWJXYER-UHFFFAOYSA-N
Hvpx______75_52_5 =  1.6E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_52_5 =  1.6E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_52_5 =  1.5E+00 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_52_5 =  1.6E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_52_5 =  1.6E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______75_52_5 =  1.6E+00 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1996
Hvpx______75_52_5 =  1.5E+00                                  ! [atm] type: M, ref: 2449
Hvpx______75_52_5 =  1.2E+00                                  ! [atm] type: M, ref: 792
Hvpx______75_52_5 =  1.6E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_52_5 =  1.6E+00                                  ! [atm] type: X, ref: gaffney84
Hvpx______75_52_5 =  1.2E+00                                  ! [atm] type: Q, ref: 3728
Hvpx______75_52_5 =  2.1E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______75_52_5 =  8.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______75_52_5 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_52_5 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_52_5 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_52_5 =  1.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______75_52_5 =  1.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______75_52_5 =  1.6E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______75_52_5 =  2.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______75_52_5 =  8.7E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______75_52_5 =  2.0E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______75_52_5 =  7.4E+00                                  ! [atm] type: Q, ref: 984
Hvpx______75_52_5 =  1.6E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______75_52_5 =  1.6E+01                                  ! [atm] type: ?, ref: 2440
Hvpx______75_52_5 =  3.0E+00                                  ! [atm] type: ?, ref: 3614
Hvpx______75_52_5 =  1.5E+01                                  ! [atm] type: ?, ref: 789
Hvpx______75_52_5 =  1.5E+00                                  ! [atm] type: ?, ref: 1500

! species:  nitromethane-13C
! formula:  CH_3NO_2
! trivial:  
! casrn:    32480-00-5
! inchikey: LYGJENNIWJXYER-OUBTZVSYSA-N
Hvpx___32480_00_5 =  1.1E+00 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  nitroethane
! formula:  C_2H_5NO_2
! trivial:  
! casrn:    79-24-3
! inchikey: MCSAJNNLRCFZED-UHFFFAOYSA-N
Hvpx______79_24_3 =  2.6E+00 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_24_3 =  2.6E+00 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______79_24_3 =  2.6E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______79_24_3 =  2.6E+00 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______79_24_3 =  2.6E+00 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______79_24_3 =  2.5E+00 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1996
Hvpx______79_24_3 =  4.0E+00                                  ! [atm] type: M, ref: 729
Hvpx______79_24_3 =  2.9E+00                                  ! [atm] type: V, ref: 2439
Hvpx______79_24_3 =  2.6E+00                                  ! [atm] type: V, ref: 642
Hvpx______79_24_3 =  2.6E+00                                  ! [atm] type: X, ref: gaffney84
Hvpx______79_24_3 =  1.6E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______79_24_3 =  1.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______79_24_3 =  2.6E+00                                  ! [atm] type: Q, ref: 3689
Hvpx______79_24_3 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______79_24_3 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______79_24_3 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______79_24_3 =  2.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______79_24_3 =  1.8E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______79_24_3 =  2.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______79_24_3 =  1.7E+00                                  ! [atm] type: Q, ref: 2543
Hvpx______79_24_3 =  2.1E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______79_24_3 =  8.9E+00                                  ! [atm] type: Q, ref: 984
Hvpx______79_24_3 =  3.6E+00                                  ! [atm] type: Q, ref: 1162
Hvpx______79_24_3 =  2.6E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______79_24_3 =  2.2E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______79_24_3 =  2.6E+00                                  ! [atm] type: ?, ref: 1500

! species:  1-nitropropane
! formula:  C_3H_7NO_2
! trivial:  
! casrn:    108-03-2
! inchikey: JSZOAYXJRCEYSX-UHFFFAOYSA-N
Hvpx_____108_03_2 =  4.2E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____108_03_2 =  4.2E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____108_03_2 =  4.0E+00 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_03_2 =  4.2E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____108_03_2 =  4.2E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____108_03_2 =  4.2E+00 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1996
Hvpx_____108_03_2 =  3.4E+00                                  ! [atm] type: M, ref: 3646
Hvpx_____108_03_2 =  4.8E+00                                  ! [atm] type: V, ref: 642
Hvpx_____108_03_2 =  6.0E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_03_2 =  1.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_03_2 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_03_2 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_03_2 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_03_2 =  3.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_03_2 =  2.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_03_2 =  4.7E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_03_2 =  4.7E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_03_2 =  1.8E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_03_2 =  1.2E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____108_03_2 =  7.6E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_03_2 =  4.8E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_03_2 =  4.7E+00                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_03_2 =  3.5E+00                                  ! [atm] type: ?, ref: 789
Hvpx_____108_03_2 =  4.8E+00                                  ! [atm] type: ?, ref: 1500

! species:  2-nitropropane
! formula:  CH_3CH(NO_2)CH_3
! trivial:  
! casrn:    79-46-9
! inchikey: FGLBSLMDCBOPQK-UHFFFAOYSA-N
Hvpx______79_46_9 =  6.6E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_46_9 =  6.6E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______79_46_9 =  6.4E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______79_46_9 =  6.6E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______79_46_9 =  6.6E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______79_46_9 =  6.5E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1996
Hvpx______79_46_9 =  6.6E+00                                  ! [atm] type: V, ref: 3586
Hvpx______79_46_9 =  6.6E+00                                  ! [atm] type: V, ref: 3088
Hvpx______79_46_9 =  6.8E+00                                  ! [atm] type: V, ref: 642
Hvpx______79_46_9 =  2.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______79_46_9 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______79_46_9 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______79_46_9 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______79_46_9 =  7.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______79_46_9 =  2.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______79_46_9 =  6.3E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______79_46_9 =  7.6E+00                                  ! [atm] type: Q, ref: 2543
Hvpx______79_46_9 =  2.6E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______79_46_9 =  1.3E+01                                  ! [atm] type: Q, ref: 984
Hvpx______79_46_9 =  6.5E+01                                  ! [atm] type: Q, ref: 1162
Hvpx______79_46_9 =  6.6E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______79_46_9 =  5.0E+00                                  ! [atm] type: ?, ref: 789
Hvpx______79_46_9 =  6.8E+00                                  ! [atm] type: ?, ref: 1500

! species:  1-nitrobutane
! formula:  C_4H_9NO_2
! trivial:  
! casrn:    627-05-4
! inchikey: NALZTFARIYUCBY-UHFFFAOYSA-N
Hvpx_____627_05_4 =  7.2E+00                                  ! [atm] type: L, ref: 3518
Hvpx_____627_05_4 =  6.6E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____627_05_4 =  9.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____627_05_4 =  5.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____627_05_4 =  3.0E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____627_05_4 =  1.5E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____627_05_4 =  7.3E+00                                  ! [atm] type: ?, ref: 1500

! species:  {\it tert}-butylnitrite
! formula:  C_4H_9ONO
! trivial:  
! casrn:    540-80-7
! inchikey: IOGXOCVLYRDXLW-UHFFFAOYSA-N
Hvpx_____540_80_7 =  6.9E+01                                  ! [atm] type: Q, ref: 2521

! species:  1-nitropentane
! formula:  C_5H_{11}NO_2
! trivial:  
! casrn:    628-05-7
! inchikey: BVALZCVRLDMXOQ-UHFFFAOYSA-N
Hvpx_____628_05_7 =  1.2E+01                                  ! [atm] type: V, ref: 2388
Hvpx_____628_05_7 =  9.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____628_05_7 =  3.8E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____628_05_7 =  1.9E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____628_05_7 =  1.2E+01                                  ! [atm] type: ?, ref: 1500

! species:  tris(hydroxymethyl)ethane trinitrate
! formula:  C_5H_9N_3O_9
! trivial:  
! casrn:    3032-55-1
! inchikey: IPPYBNCEPZCLNI-UHFFFAOYSA-N
Hvpx____3032_55_1 =  2.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____3032_55_1 =  3.8E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____3032_55_1 =  2.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____3032_55_1 =  1.6E-02                                  ! [atm] type: Q, ref: 2995

! species:  1-nitrohexane
! formula:  C_6H_{13}NO_2
! trivial:  
! casrn:    646-14-0
! inchikey: FEYJIFXFOHFGCC-UHFFFAOYSA-N
Hvpx_____646_14_0 =  1.2E+01                                  ! [atm] type: Q, ref: 2521

! species:  nitrocyclohexane
! formula:  C_6H_{11}NO_2
! trivial:  
! casrn:    1122-60-7
! inchikey: NJNQUTDUIPVROZ-UHFFFAOYSA-N
Hvpx____1122_60_7 =  2.2E+00                                  ! [atm] type: Q, ref: 2521

! species:  2-nitroethanol
! formula:  C_2H_5NO_3
! trivial:  
! casrn:    625-48-9
! inchikey: KIPMDPDAFINLIV-UHFFFAOYSA-N
Hvpx_____625_48_9 =  2.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____625_48_9 =  1.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____625_48_9 =  1.1E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____625_48_9 =  3.5E-03                                  ! [atm] type: Q, ref: 2521

! species:  1-nitro-2-propanol
! formula:  C_3H_7NO_3
! trivial:  
! casrn:    3156-73-8
! inchikey: PFNCKQIYLAVYJF-UHFFFAOYSA-N
Hvpx____3156_73_8 =  4.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx____3156_73_8 =  2.2E-03                                  ! [atm] type: Q, ref: 2546
Hvpx____3156_73_8 =  1.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx____3156_73_8 =  6.9E-03                                  ! [atm] type: Q, ref: 2521

! species:  2-nitro-1-propanol
! formula:  C_3H_7NO_3
! trivial:  
! casrn:    2902-96-7
! inchikey: PCNWBUOSTLGPMI-UHFFFAOYSA-N
Hvpx____2902_96_7 =  4.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx____2902_96_7 =  2.2E-03                                  ! [atm] type: Q, ref: 2546
Hvpx____2902_96_7 =  1.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx____2902_96_7 =  5.5E-03                                  ! [atm] type: Q, ref: 2521

! species:  1-nitro-2-butanol
! formula:  C_4H_9NO_3
! trivial:  
! casrn:    3156-74-9
! inchikey: FMEFHKJRIGHSLB-UHFFFAOYSA-N
Hvpx____3156_74_9 =  7.4E-03                                  ! [atm] type: Q, ref: 2521

! species:  2-nitro-1-butanol
! formula:  C_4H_9NO_3
! trivial:  
! casrn:    609-31-4
! inchikey: MHIHRIPETCJEMQ-UHFFFAOYSA-N
Hvpx_____609_31_4 =  5.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____609_31_4 =  2.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____609_31_4 =  2.2E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____609_31_4 =  7.3E-03                                  ! [atm] type: Q, ref: 2521

! species:  3-nitro-2-butanol
! formula:  C_4H_9NO_3
! trivial:  
! casrn:    6270-16-2
! inchikey: OJVOGABFNZDOOZ-UHFFFAOYSA-N
Hvpx____6270_16_2 =  5.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx____6270_16_2 =  2.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx____6270_16_2 =  2.2E-04                                  ! [atm] type: Q, ref: 2546
Hvpx____6270_16_2 =  9.6E-03                                  ! [atm] type: Q, ref: 2521

! species:  nitroguanidine
! formula:  CH_4N_4O_2
! trivial:  
! casrn:    556-88-7
! inchikey: IDCPFAYURAQKDZ-UHFFFAOYSA-N
Hvpx_____556_88_7 =  2.5E-11                                  ! [atm] type: V, ref: 3088

! species:  tetranitromethane
! formula:  CN_4O_8
! trivial:  
! casrn:    509-14-8
! inchikey: NYTOUQBROMCLBJ-UHFFFAOYSA-N
Hvpx_____509_14_8 =  1.3E+02                                  ! [atm] type: V, ref: 3088

! species:  N-methyl-N'-nitro-N-nitrosoguanidine
! formula:  C_2H_5N_5O_3
! trivial:  
! casrn:    70-25-7
! inchikey: VZUNGTLZRAYYDE-UHFFFAOYSA-N
Hvpx______70_25_7 =  6.6E-08                                  ! [atm] type: Q, ref: 3088

! species:  2-(hydroxymethyl)-2-nitro-1,3-propanediol
! formula:  C_4H_9NO_5
! trivial:  
! casrn:    126-11-4
! inchikey: OLQJQHSAWMFDJE-UHFFFAOYSA-N
Hvpx_____126_11_4 =  2.7E-07                                  ! [atm] type: Q, ref: 3088

! species:  MCM:NC4DCO2H
! formula:  C_4H_3NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ODFCIXRXNCCVGH-UHFFFAOYSA-N
Hvpx_ODFCIXRXNCCVGH_UHFFFAOYSA_N =  7.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ODFCIXRXNCCVGH_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_ODFCIXRXNCCVGH_UHFFFAOYSA_N =  2.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC4MDCO2H
! formula:  C_5H_5NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LXEJKNKBIPISQO-UHFFFAOYSA-N
Hvpx_LXEJKNKBIPISQO_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LXEJKNKBIPISQO_UHFFFAOYSA_N =  1.2E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_LXEJKNKBIPISQO_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC4EDCO2H
! formula:  C_6H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GVSLZEQKUBDLJE-UHFFFAOYSA-N
Hvpx_GVSLZEQKUBDLJE_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_GVSLZEQKUBDLJE_UHFFFAOYSA_N =  7.9E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GVSLZEQKUBDLJE_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNPHENOOH
! formula:  C_6H_6N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: AKJGOKAIBHUAAE-UHFFFAOYSA-N
Hvpx_AKJGOKAIBHUAAE_UHFFFAOYSA_N =  7.5E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_AKJGOKAIBHUAAE_UHFFFAOYSA_N =  6.9E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_AKJGOKAIBHUAAE_UHFFFAOYSA_N =  1.0E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NCATECOOH
! formula:  C_6H_7NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: UERHMILVGXASDJ-UHFFFAOYSA-N
Hvpx_UERHMILVGXASDJ_UHFFFAOYSA_N =  6.7E-19                                  ! [atm] type: Q, ref: 3409
Hvpx_UERHMILVGXASDJ_UHFFFAOYSA_N =  3.4E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_UERHMILVGXASDJ_UHFFFAOYSA_N =  1.2E-10                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC5MDCO2H
! formula:  C_6H_7NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VRGZGZRSZACGSZ-UHFFFAOYSA-N
Hvpx_VRGZGZRSZACGSZ_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VRGZGZRSZACGSZ_UHFFFAOYSA_N =  5.0E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_VRGZGZRSZACGSZ_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC4IPDCO2H
! formula:  C_7H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VOBLVGUNJWYRHD-UHFFFAOYSA-N
Hvpx_VOBLVGUNJWYRHD_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VOBLVGUNJWYRHD_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_VOBLVGUNJWYRHD_UHFFFAOYSA_N =  3.1E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NC4PDCO2H
! formula:  C_7H_9NO_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MSTRQTMGALLSFO-UHFFFAOYSA-N
Hvpx_MSTRQTMGALLSFO_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MSTRQTMGALLSFO_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_MSTRQTMGALLSFO_UHFFFAOYSA_N =  2.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNCRESOOH
! formula:  C_7H_8N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: FHWDGQSKNURQKZ-UHFFFAOYSA-N
Hvpx_FHWDGQSKNURQKZ_UHFFFAOYSA_N =  1.4E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_FHWDGQSKNURQKZ_UHFFFAOYSA_N =  1.5E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_FHWDGQSKNURQKZ_UHFFFAOYSA_N =  3.9E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MNCATECOOH
! formula:  C_7H_9NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: OCHAAZKMUDWIOE-UHFFFAOYSA-N
Hvpx_OCHAAZKMUDWIOE_UHFFFAOYSA_N =  1.8E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_OCHAAZKMUDWIOE_UHFFFAOYSA_N =  3.3E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_OCHAAZKMUDWIOE_UHFFFAOYSA_N =  1.2E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TL4ONO2OOH
! formula:  C_7H_9NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: MEXRHSIIQRTIBR-UHFFFAOYSA-N
Hvpx_MEXRHSIIQRTIBR_UHFFFAOYSA_N =  3.9E-15                                  ! [atm] type: Q, ref: 3409
Hvpx_MEXRHSIIQRTIBR_UHFFFAOYSA_N =  1.9E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_MEXRHSIIQRTIBR_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNEBNZLOOH
! formula:  C_8H_{10}N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: FNCRENCSRXRIPJ-UHFFFAOYSA-N
Hvpx_FNCRENCSRXRIPJ_UHFFFAOYSA_N =  1.5E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_FNCRENCSRXRIPJ_UHFFFAOYSA_N =  2.3E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_FNCRENCSRXRIPJ_UHFFFAOYSA_N =  1.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNMXYOLOOH
! formula:  C_8H_{10}N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: KSAVSEUSLRIGAB-UHFFFAOYSA-N
Hvpx_KSAVSEUSLRIGAB_UHFFFAOYSA_N =  2.0E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_KSAVSEUSLRIGAB_UHFFFAOYSA_N =  2.5E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_KSAVSEUSLRIGAB_UHFFFAOYSA_N =  9.3E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNOXYOLOOH
! formula:  C_8H_{10}N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: PBZRLTNSSYSOGL-UHFFFAOYSA-N
Hvpx_PBZRLTNSSYSOGL_UHFFFAOYSA_N =  1.7E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_PBZRLTNSSYSOGL_UHFFFAOYSA_N =  9.3E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_PBZRLTNSSYSOGL_UHFFFAOYSA_N =  7.0E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNPXYOLOOH
! formula:  C_8H_{10}N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: AYHFAKIJCOHXBG-UHFFFAOYSA-N
Hvpx_AYHFAKIJCOHXBG_UHFFFAOYSA_N =  2.0E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_AYHFAKIJCOHXBG_UHFFFAOYSA_N =  1.8E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_AYHFAKIJCOHXBG_UHFFFAOYSA_N =  3.7E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ENCATECOOH
! formula:  C_8H_{11}NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: QJBJEZDKVLRDGQ-UHFFFAOYSA-N
Hvpx_QJBJEZDKVLRDGQ_UHFFFAOYSA_N =  2.1E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_QJBJEZDKVLRDGQ_UHFFFAOYSA_N =  6.1E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_QJBJEZDKVLRDGQ_UHFFFAOYSA_N =  3.0E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXNCATCOOH
! formula:  C_8H_{11}NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: QYJOURKZCRGVGB-UHFFFAOYSA-N
Hvpx_QYJOURKZCRGVGB_UHFFFAOYSA_N =  3.4E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_QYJOURKZCRGVGB_UHFFFAOYSA_N =  8.8E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_QYJOURKZCRGVGB_UHFFFAOYSA_N =  1.6E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXOHNO2OOH
! formula:  C_8H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: RRWTXIWIABDEOZ-UHFFFAOYSA-N
Hvpx_RRWTXIWIABDEOZ_UHFFFAOYSA_N =  3.1E-15                                  ! [atm] type: Q, ref: 3409
Hvpx_RRWTXIWIABDEOZ_UHFFFAOYSA_N =  4.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_RRWTXIWIABDEOZ_UHFFFAOYSA_N =  4.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXNCATCOOH
! formula:  C_8H_{11}NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: GWPIPVPJLOZVKC-UHFFFAOYSA-N
Hvpx_GWPIPVPJLOZVKC_UHFFFAOYSA_N =  1.4E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_GWPIPVPJLOZVKC_UHFFFAOYSA_N =  4.5E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_GWPIPVPJLOZVKC_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXNCATCOOH
! formula:  C_8H_{11}NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: RMUFWTRDQQMPCD-UHFFFAOYSA-N
Hvpx_RMUFWTRDQQMPCD_UHFFFAOYSA_N =  1.8E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_RMUFWTRDQQMPCD_UHFFFAOYSA_N =  9.9E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_RMUFWTRDQQMPCD_UHFFFAOYSA_N =  4.0E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124NOOH
! formula:  C_8H_{11}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: LGMZUZOZZXWRQX-UHFFFAOYSA-N
Hvpx_LGMZUZOZZXWRQX_UHFFFAOYSA_N =  3.1E-15                                  ! [atm] type: Q, ref: 3409
Hvpx_LGMZUZOZZXWRQX_UHFFFAOYSA_N =  4.1E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_LGMZUZOZZXWRQX_UHFFFAOYSA_N =  1.1E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNIPBZLOOH
! formula:  C_9H_{12}N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: YKBFACRSJWRBHR-UHFFFAOYSA-N
Hvpx_YKBFACRSJWRBHR_UHFFFAOYSA_N =  1.7E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_YKBFACRSJWRBHR_UHFFFAOYSA_N =  2.3E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_YKBFACRSJWRBHR_UHFFFAOYSA_N =  1.5E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNMETOLOOH
! formula:  C_9H_{12}N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: LAMZNFDUTXWEFA-UHFFFAOYSA-N
Hvpx_LAMZNFDUTXWEFA_UHFFFAOYSA_N =  2.6E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_LAMZNFDUTXWEFA_UHFFFAOYSA_N =  4.0E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_LAMZNFDUTXWEFA_UHFFFAOYSA_N =  3.6E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNOETOLOOH
! formula:  C_9H_{12}N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: KMVIJWGCTFHDMC-UHFFFAOYSA-N
Hvpx_KMVIJWGCTFHDMC_UHFFFAOYSA_N =  2.2E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_KMVIJWGCTFHDMC_UHFFFAOYSA_N =  1.4E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_KMVIJWGCTFHDMC_UHFFFAOYSA_N =  7.2E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNPBNZLOOH
! formula:  C_9H_{12}N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: YOHJWFCUZUQBMA-UHFFFAOYSA-N
Hvpx_YOHJWFCUZUQBMA_UHFFFAOYSA_N =  1.9E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_YOHJWFCUZUQBMA_UHFFFAOYSA_N =  2.9E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_YOHJWFCUZUQBMA_UHFFFAOYSA_N =  2.0E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNPETOLOOH
! formula:  C_9H_{12}N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: IOZSITWJVFMIBH-UHFFFAOYSA-N
Hvpx_IOZSITWJVFMIBH_UHFFFAOYSA_N =  2.6E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_IOZSITWJVFMIBH_UHFFFAOYSA_N =  2.9E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_IOZSITWJVFMIBH_UHFFFAOYSA_N =  2.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNT123LOOH
! formula:  C_9H_{12}N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: GBPJMJLXQYJDMC-UHFFFAOYSA-N
Hvpx_GBPJMJLXQYJDMC_UHFFFAOYSA_N =  3.1E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_GBPJMJLXQYJDMC_UHFFFAOYSA_N =  1.4E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_GBPJMJLXQYJDMC_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNT124LOOH
! formula:  C_9H_{12}N_2O_{10}
! trivial:  
! casrn:    UNKNOWN
! inchikey: INCIWBVFUFSSNB-UHFFFAOYSA-N
Hvpx_INCIWBVFUFSSNB_UHFFFAOYSA_N =  3.8E-17                                  ! [atm] type: Q, ref: 3409
Hvpx_INCIWBVFUFSSNB_UHFFFAOYSA_N =  2.8E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_INCIWBVFUFSSNB_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EMPONO2OOH
! formula:  C_9H_{13}NO_8
! trivial:  
! casrn:    UNKNOWN
! inchikey: FZXCIHOWKZKJRK-UHFFFAOYSA-N
Hvpx_FZXCIHOWKZKJRK_UHFFFAOYSA_N =  4.0E-15                                  ! [atm] type: Q, ref: 3409
Hvpx_FZXCIHOWKZKJRK_UHFFFAOYSA_N =  3.7E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_FZXCIHOWKZKJRK_UHFFFAOYSA_N =  8.6E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPNCATCOOH
! formula:  C_9H_{13}NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: NYRKVILWQFQUNU-UHFFFAOYSA-N
Hvpx_NYRKVILWQFQUNU_UHFFFAOYSA_N =  2.2E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_NYRKVILWQFQUNU_UHFFFAOYSA_N =  6.6E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_NYRKVILWQFQUNU_UHFFFAOYSA_N =  5.8E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTNCATCOOH
! formula:  C_9H_{13}NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: MCLPDHQAEZEULP-UHFFFAOYSA-N
Hvpx_MCLPDHQAEZEULP_UHFFFAOYSA_N =  3.6E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_MCLPDHQAEZEULP_UHFFFAOYSA_N =  1.5E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_MCLPDHQAEZEULP_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OTNCATCOOH
! formula:  C_9H_{13}NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: MVMRAYXEOTUUSG-UHFFFAOYSA-N
Hvpx_MVMRAYXEOTUUSG_UHFFFAOYSA_N =  1.5E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_MVMRAYXEOTUUSG_UHFFFAOYSA_N =  7.7E-11                                  ! [atm] type: Q, ref: 3409
Hvpx_MVMRAYXEOTUUSG_UHFFFAOYSA_N =  2.2E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PNCATECOOH
! formula:  C_9H_{13}NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: AWPUGBPLGLTYEJ-UHFFFAOYSA-N
Hvpx_AWPUGBPLGLTYEJ_UHFFFAOYSA_N =  2.6E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_AWPUGBPLGLTYEJ_UHFFFAOYSA_N =  8.3E-12                                  ! [atm] type: Q, ref: 3409
Hvpx_AWPUGBPLGLTYEJ_UHFFFAOYSA_N =  9.3E-09                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PTNCATCOOH
! formula:  C_9H_{13}NO_9
! trivial:  
! casrn:    UNKNOWN
! inchikey: IJEUJFHQTRRKRP-UHFFFAOYSA-N
Hvpx_IJEUJFHQTRRKRP_UHFFFAOYSA_N =  2.0E-18                                  ! [atm] type: Q, ref: 3409
Hvpx_IJEUJFHQTRRKRP_UHFFFAOYSA_N =  1.6E-10                                  ! [atm] type: Q, ref: 3409
Hvpx_IJEUJFHQTRRKRP_UHFFFAOYSA_N =  5.7E-08                                  ! [atm] type: Q, ref: 3409

! species:  nitrobenzene
! formula:  C_6H_5NO_2
! trivial:  
! casrn:    98-95-3
! inchikey: LQNUZADURLCDLV-UHFFFAOYSA-N
Hvpx______98_95_3 =  1.2E+00 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______98_95_3 =  8.1E-01                                  ! [atm] type: M, ref: 3404
Hvpx______98_95_3 =  8.6E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______98_95_3 =  3.8E+00                                  ! [atm] type: M, ref: 2921
Hvpx______98_95_3 =  2.4E+01 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx______98_95_3 =  4.7E-01                                  ! [atm] type: M, ref: 1195
Hvpx______98_95_3 =  3.8E+00                                  ! [atm] type: M, ref: 2448
Hvpx______98_95_3 =  1.3E+00                                  ! [atm] type: M, ref: 2900
Hvpx______98_95_3 =  1.2E+00                                  ! [atm] type: V, ref: 3404
Hvpx______98_95_3 =  1.1E+00 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2123
Hvpx______98_95_3 =  7.1E-01                                  ! [atm] type: V, ref: 2614
Hvpx______98_95_3 =  1.3E+00                                  ! [atm] type: V, ref: 477
Hvpx______98_95_3 =  7.1E-01                                  ! [atm] type: V, ref: 636
Hvpx______98_95_3 =  1.2E+00                                  ! [atm] type: V, ref: 2439
Hvpx______98_95_3 =  7.0E-01                                  ! [atm] type: V, ref: 2971
Hvpx______98_95_3 =  1.3E+00                                  ! [atm] type: V, ref: 2900
Hvpx______98_95_3 =  1.3E+00                                  ! [atm] type: V, ref: 642
Hvpx______98_95_3 =  1.2E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______98_95_3 =  1.3E+00                                  ! [atm] type: C, ref: 2521
Hvpx______98_95_3 =  1.3E+00                                  ! [atm] type: C, ref: 2165
Hvpx______98_95_3 =  7.2E-01                                  ! [atm] type: C, ref: 636
Hvpx______98_95_3 =  7.3E-01                                  ! [atm] type: C, ref: 2235
Hvpx______98_95_3 =  1.3E+00                                  ! [atm] type: C, ref: 3083
Hvpx______98_95_3 =  4.8E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______98_95_3 =  2.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______98_95_3 =  2.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______98_95_3 =  2.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______98_95_3 =  1.3E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______98_95_3 =  1.1E+00                                  ! [atm] type: Q, ref: 3731
Hvpx______98_95_3 =  1.9E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______98_95_3 =  1.7E-01                                  ! [atm] type: Q, ref: 984
Hvpx______98_95_3 =  2.8E+00                                  ! [atm] type: Q, ref: 731
Hvpx______98_95_3 =  7.8E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______98_95_3 =  1.3E+00                                  ! [atm] type: ?, ref: 3586
Hvpx______98_95_3 =  1.2E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______98_95_3 =  1.3E+00                                  ! [atm] type: ?, ref: 1500

! species:  nitrobenzene-d5
! formula:  C_6D_5NO_2
! trivial:  
! casrn:    4165-60-0
! inchikey: LQNUZADURLCDLV-RALIUCGRSA-N
Hvpx____4165_60_0 =  6.5E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  2-nitrotoluene
! formula:  C_6H_4(NO_2)CH_3
! trivial:  
! casrn:    88-72-2
! inchikey: PLAZTCDQAHEYBI-UHFFFAOYSA-N
Hvpx______88_72_2 =  2.3E+00 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______88_72_2 =  5.7E-01                                  ! [atm] type: M, ref: 3404
Hvpx______88_72_2 =  6.9E-01                                  ! [atm] type: M, ref: 1195
Hvpx______88_72_2 =  2.1E+00                                  ! [atm] type: V, ref: 2614
Hvpx______88_72_2 =  2.9E+00                                  ! [atm] type: V, ref: 2165
Hvpx______88_72_2 =  3.1E+00                                  ! [atm] type: V, ref: 477
Hvpx______88_72_2 =  2.1E+00                                  ! [atm] type: V, ref: 636
Hvpx______88_72_2 =  3.2E+00                                  ! [atm] type: V, ref: 642
Hvpx______88_72_2 =  7.1E+00 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______88_72_2 =  3.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______88_72_2 =  4.4E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______88_72_2 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______88_72_2 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______88_72_2 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______88_72_2 =  1.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______88_72_2 =  2.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______88_72_2 =  2.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______88_72_2 =  3.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______88_72_2 =  1.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______88_72_2 =  2.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______88_72_2 =  2.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______88_72_2 =  3.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______88_72_2 =  3.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______88_72_2 =  2.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______88_72_2 =  4.0E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______88_72_2 =  2.4E-01                                  ! [atm] type: Q, ref: 984
Hvpx______88_72_2 =  9.6E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______88_72_2 =  6.9E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______88_72_2 =  3.2E+00                                  ! [atm] type: ?, ref: 1500

! species:  3-nitrotoluene
! formula:  C_6H_4(NO_2)CH_3
! trivial:  
! casrn:    99-08-1
! inchikey: QZYHIOPPLUPUJF-UHFFFAOYSA-N
Hvpx______99_08_1 =  2.0E+00 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______99_08_1 =  4.3E-01                                  ! [atm] type: M, ref: 3404
Hvpx______99_08_1 =  5.1E-01                                  ! [atm] type: M, ref: 1195
Hvpx______99_08_1 =  2.0E+00                                  ! [atm] type: M, ref: 2457
Hvpx______99_08_1 =  4.1E+00                                  ! [atm] type: V, ref: 2614
Hvpx______99_08_1 =  4.1E+00                                  ! [atm] type: V, ref: 636
Hvpx______99_08_1 =  4.0E+00                                  ! [atm] type: V, ref: 642
Hvpx______99_08_1 =  4.0E+00 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______99_08_1 =  3.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______99_08_1 =  4.4E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______99_08_1 =  1.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______99_08_1 =  2.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______99_08_1 =  1.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______99_08_1 =  3.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______99_08_1 =  3.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______99_08_1 =  3.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______99_08_1 =  4.0E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______99_08_1 =  2.4E-01                                  ! [atm] type: Q, ref: 984
Hvpx______99_08_1 =  9.6E-01                                  ! [atm] type: Q, ref: 1162
Hvpx______99_08_1 =  5.1E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______99_08_1 =  4.1E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______99_08_1 =  4.0E+00                                  ! [atm] type: ?, ref: 1500

! species:  4-nitrotoluene
! formula:  C_6H_4(NO_2)CH_3
! trivial:  
! casrn:    99-99-0
! inchikey: ZPTVNYMJQHSSEA-UHFFFAOYSA-N
Hvpx______99_99_0 =  6.1E-01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______99_99_0 =  3.1E-01                                  ! [atm] type: M, ref: 1195
Hvpx______99_99_0 =  1.9E-01                                  ! [atm] type: V, ref: 2614
Hvpx______99_99_0 =  2.7E+00                                  ! [atm] type: V, ref: 477
Hvpx______99_99_0 =  1.9E-01                                  ! [atm] type: V, ref: 636
Hvpx______99_99_0 =  3.5E+00 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______99_99_0 =  3.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______99_99_0 =  4.4E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______99_99_0 =  3.8E+00                                  ! [atm] type: Q, ref: 3689
Hvpx______99_99_0 =  1.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______99_99_0 =  2.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______99_99_0 =  6.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______99_99_0 =  3.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______99_99_0 =  2.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______99_99_0 =  2.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______99_99_0 =  3.1E-01                                  ! [atm] type: ?, ref: 3586

! species:  1,2-dinitrobenzene
! formula:  C_6H_4N_2O_4
! trivial:  
! casrn:    528-29-0
! inchikey: IZUKQUVSCNEFMJ-UHFFFAOYSA-N
Hvpx_____528_29_0 =  2.9E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____528_29_0 =  2.9E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____528_29_0 =  1.5E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____528_29_0 =  4.7E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____528_29_0 =  1.7E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____528_29_0 =  2.1E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____528_29_0 =  2.0E-02                                  ! [atm] type: Q, ref: 2995

! species:  1,3-dinitrobenzene
! formula:  C_6H_4N_2O_4
! trivial:  
! casrn:    99-65-0
! inchikey: WDCYWAQPCXBPJA-UHFFFAOYSA-N
Hvpx______99_65_0 =  3.0E-03                                  ! [atm] type: M, ref: 3404
Hvpx______99_65_0 =  2.7E-03                                  ! [atm] type: M, ref: 1195
Hvpx______99_65_0 =  1.1E-03                                  ! [atm] type: V, ref: 636
Hvpx______99_65_0 =  1.4E-02                                  ! [atm] type: V, ref: 2236
Hvpx______99_65_0 =  2.2E-03                                  ! [atm] type: Q, ref: 3730
Hvpx______99_65_0 =  2.6E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______99_65_0 =  2.7E-03                                  ! [atm] type: Q, ref: 3406
Hvpx______99_65_0 =  4.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______99_65_0 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______99_65_0 =  4.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______99_65_0 =  2.7E-03                                  ! [atm] type: ?, ref: 3586

! species:  1,4-dinitrobenzene
! formula:  C_6H_4N_2O_4
! trivial:  
! casrn:    100-25-4
! inchikey: FYFDQJRXFWGIBS-UHFFFAOYSA-N
Hvpx_____100_25_4 =  2.8E+00                                  ! [atm] type: V, ref: 2614
Hvpx_____100_25_4 =  2.8E+00                                  ! [atm] type: V, ref: 636
Hvpx_____100_25_4 =  4.6E-03                                  ! [atm] type: Q, ref: 3088

! species:  1,3,5-trinitrobenzene
! formula:  C_6H_3N_3O_6
! trivial:  
! casrn:    99-35-4
! inchikey: UATJOMSPNYCXIX-UHFFFAOYSA-N
Hvpx______99_35_4 =  3.6E-04                                  ! [atm] type: V, ref: 3088
Hvpx______99_35_4 =  2.0E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______99_35_4 =  1.9E-03                                  ! [atm] type: Q, ref: 3579

! species:  2,4,6-trinitrophenol
! formula:  C_6H_3N_3O_7
! trivial:  picric acid
! casrn:    88-89-1
! inchikey: OXNIZHLAWKMVMX-UHFFFAOYSA-N
Hvpx______88_89_1 =  1.8E-06                                  ! [atm] type: ?, ref: 3766

! species:  2-nitrobenzenamine
! formula:  C_6H_6N_2O_2
! trivial:  2-nitroaniline
! casrn:    88-74-4
! inchikey: DPJCXCZTLWNFOH-UHFFFAOYSA-N
Hvpx______88_74_4 =  7.7E-03 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______88_74_4 =  3.2E-03                                  ! [atm] type: M, ref: 1195
Hvpx______88_74_4 =  5.3E-03                                  ! [atm] type: R, ref: 1501
Hvpx______88_74_4 =  2.7E-03                                  ! [atm] type: Q, ref: 3730
Hvpx______88_74_4 =  2.2E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______88_74_4 =  1.7E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______88_74_4 =  2.6E-03                                  ! [atm] type: Q, ref: 2530
Hvpx______88_74_4 =  1.2E-03                                  ! [atm] type: Q, ref: 984
Hvpx______88_74_4 =  3.3E-03                                  ! [atm] type: ?, ref: 3586

! species:  3-nitrobenzenamine
! formula:  C_6H_6N_2O_2
! trivial:  3-nitroaniline
! casrn:    99-09-2
! inchikey: XJCVRTZCHMZPBD-UHFFFAOYSA-N
Hvpx______99_09_2 =  8.0E-04                                  ! [atm] type: V, ref: 1145
Hvpx______99_09_2 =  4.4E-04                                  ! [atm] type: R, ref: 1501
Hvpx______99_09_2 =  1.3E-04                                  ! [atm] type: Q, ref: 3730
Hvpx______99_09_2 =  3.6E-04                                  ! [atm] type: Q, ref: 3586
Hvpx______99_09_2 =  2.0E-04                                  ! [atm] type: Q, ref: 2521
Hvpx______99_09_2 =  1.4E-03                                  ! [atm] type: Q, ref: 2530
Hvpx______99_09_2 =  9.2E-04                                  ! [atm] type: Q, ref: 2543
Hvpx______99_09_2 =  1.2E-03                                  ! [atm] type: Q, ref: 984
Hvpx______99_09_2 =  4.2E-04                                  ! [atm] type: Q, ref: 1145
Hvpx______99_09_2 =  4.4E-04                                  ! [atm] type: ?, ref: 3586
Hvpx______99_09_2 =  4.4E-04                                  ! [atm] type: ?, ref: 3088

! species:  4-nitrobenzenamine
! formula:  C_6H_6N_2O_2
! trivial:  4-nitroaniline
! casrn:    100-01-6
! inchikey: TYMLOMAKGOJONV-UHFFFAOYSA-N
Hvpx_____100_01_6 =  6.3E-05 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____100_01_6 =  6.4E-05                                  ! [atm] type: M, ref: 1195
Hvpx_____100_01_6 =  3.9E-05                                  ! [atm] type: R, ref: 1501
Hvpx_____100_01_6 =  3.1E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____100_01_6 =  1.3E-04                                  ! [atm] type: Q, ref: 3730
Hvpx_____100_01_6 =  3.8E-04                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_01_6 =  6.5E-04                                  ! [atm] type: Q, ref: 3406
Hvpx_____100_01_6 =  3.2E-03                                  ! [atm] type: Q, ref: 3579
Hvpx_____100_01_6 =  2.5E-04                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_01_6 =  3.5E-03                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_01_6 =  1.2E-03                                  ! [atm] type: Q, ref: 984
Hvpx_____100_01_6 =  7.0E-05                                  ! [atm] type: ?, ref: 3586

! species:  2,4-dinitrobenzenamine
! formula:  C_6H_5N_3O_4
! trivial:  
! casrn:    97-02-9
! inchikey: LXQOQPGNCGEELI-UHFFFAOYSA-N
Hvpx______97_02_9 =  8.4E-06                                  ! [atm] type: Q, ref: 3088

! species:  2-methyl-6-nitroaniline
! formula:  C_7H_8N_2O_2
! trivial:  
! casrn:    570-24-1
! inchikey: FCMRHMPITHLLLA-UHFFFAOYSA-N
Hvpx_____570_24_1 =  1.2E-02                                  ! [atm] type: Q, ref: 3627

! species:  1-methyl-2,3-dinitrobenzene
! formula:  C_7H_6N_2O_4
! trivial:  2,3-dinitrotoluene; 2,3-DNT
! casrn:    602-01-7
! inchikey: DYSXLQBUUOPLBB-UHFFFAOYSA-N
Hvpx_____602_01_7 =  5.1E-03                                  ! [atm] type: Q, ref: 3088
Hvpx_____602_01_7 =  5.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____602_01_7 =  2.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____602_01_7 =  5.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____602_01_7 =  3.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____602_01_7 =  5.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____602_01_7 =  2.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____602_01_7 =  4.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____602_01_7 =  3.6E-02                                  ! [atm] type: Q, ref: 2995

! species:  1-methyl-2,4-dinitrobenzene
! formula:  C_7H_6N_2O_4
! trivial:  2,4-dinitrotoluene; 2,4-DNT
! casrn:    121-14-2
! inchikey: RMBFBMJGBANMMK-UHFFFAOYSA-N
Hvpx_____121_14_2 =  1.4E-02 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____121_14_2 =  3.0E-03                                  ! [atm] type: M, ref: 1195
Hvpx_____121_14_2 =  4.9E-02                                  ! [atm] type: V, ref: 2614
Hvpx_____121_14_2 =  5.5E-03                                  ! [atm] type: V, ref: 2165
Hvpx_____121_14_2 =  4.9E-02                                  ! [atm] type: V, ref: 636
Hvpx_____121_14_2 =  8.7E-03                                  ! [atm] type: V, ref: 2236
Hvpx_____121_14_2 =  2.6E+00 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____121_14_2 =  2.5E-01                                  ! [atm] type: C, ref: 636
Hvpx_____121_14_2 =  1.8E+01                                  ! [atm] type: C, ref: 2235
Hvpx_____121_14_2 =  1.6E-03                                  ! [atm] type: Q, ref: 3730
Hvpx_____121_14_2 =  3.4E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____121_14_2 =  5.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____121_14_2 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____121_14_2 =  5.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____121_14_2 =  5.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_14_2 =  3.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_14_2 =  1.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_14_2 =  3.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_14_2 =  3.0E-03                                  ! [atm] type: ?, ref: 3586

! species:  2-methyl-1,4-dinitrobenzene
! formula:  C_7H_6N_2O_4
! trivial:  2,5-dinitrotoluene; 2,5-DNT
! casrn:    619-15-8
! inchikey: KZBOXYKTSUUBTO-UHFFFAOYSA-N
Hvpx_____619_15_8 =  3.0E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____619_15_8 =  5.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____619_15_8 =  3.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____619_15_8 =  3.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____619_15_8 =  3.6E-02                                  ! [atm] type: Q, ref: 2995

! species:  2-methyl-1,3-dinitrobenzene
! formula:  C_7H_6N_2O_4
! trivial:  2,6-dinitrotoluene; 2,6-DNT
! casrn:    606-20-2
! inchikey: XTRDKALNCIHHNI-UHFFFAOYSA-N
Hvpx_____606_20_2 =  1.1E-01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____606_20_2 =  4.1E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____606_20_2 =  3.7E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____606_20_2 =  3.8E-02                                  ! [atm] type: V, ref: 2614
Hvpx_____606_20_2 =  3.8E-02                                  ! [atm] type: V, ref: 636
Hvpx_____606_20_2 =  4.4E-01                                  ! [atm] type: C, ref: 636
Hvpx_____606_20_2 =  1.8E+01                                  ! [atm] type: C, ref: 2235
Hvpx_____606_20_2 =  3.4E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____606_20_2 =  3.3E-01                                  ! [atm] type: Q, ref: 3689
Hvpx_____606_20_2 =  5.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____606_20_2 =  2.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____606_20_2 =  1.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____606_20_2 =  3.6E-02                                  ! [atm] type: Q, ref: 2995

! species:  4-methyl-1,2-dinitrobenzene
! formula:  C_7H_6N_2O_4
! trivial:  3,4-dinitrotoluene; 3,4-DNT
! casrn:    610-39-9
! inchikey: INYDMNPNDHRJQJ-UHFFFAOYSA-N
Hvpx_____610_39_9 =  1.7E-02 * EXP(  -9600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____610_39_9 =  5.1E-03                                  ! [atm] type: Q, ref: 3088
Hvpx_____610_39_9 =  5.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____610_39_9 =  1.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____610_39_9 =  1.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____610_39_9 =  3.6E-02                                  ! [atm] type: Q, ref: 2995

! species:  1-methyl-2,4,6-trinitrobenzene
! formula:  C_7H_5N_3O_6
! trivial:  2,4,6-trinitrotoluene; TNT
! casrn:    118-96-7
! inchikey: SPSSULHKWOKEEL-UHFFFAOYSA-N
Hvpx_____118_96_7 =  1.2E-03 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____118_96_7 =  1.2E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____118_96_7 =  1.0E-03                                  ! [atm] type: V, ref: 2165

! species:  2,4,6-trinitro-1,3-dimethyl-5-{\it tert}-butylbenzene
! formula:  C_{12}H_{15}N_3O_6
! trivial:  musk xylene
! casrn:    81-15-2
! inchikey: XMWRWTSZNLOZFN-UHFFFAOYSA-N
Hvpx______81_15_2 =  1.7E+00                                  ! [atm] type: M, ref: 3014
Hvpx______81_15_2 =  3.2E+01                                  ! [atm] type: V, ref: 2388
Hvpx______81_15_2 =  4.3E-04                                  ! [atm] type: Q, ref: 3088
Hvpx______81_15_2 =  5.8E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______81_15_2 =  9.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______81_15_2 =  1.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______81_15_2 =  3.6E-03                                  ! [atm] type: Q, ref: 2995

! species:  2-nitrophenol
! formula:  HOC_6H_4(NO_2)
! trivial:  
! casrn:    88-75-5
! inchikey: IQUPABOKLQSFBK-UHFFFAOYSA-N
Hvpx______88_75_5 =  5.5E-02                                  ! [atm] type: M, ref: 3404
Hvpx______88_75_5 =  3.8E-01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2183
Hvpx______88_75_5 =  6.6E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1513
Hvpx______88_75_5 =  6.2E-01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1514
Hvpx______88_75_5 =  7.1E-01                                  ! [atm] type: M, ref: 1155
Hvpx______88_75_5 =  9.0E-01                                  ! [atm] type: V, ref: 2613
Hvpx______88_75_5 =  1.9E-01                                  ! [atm] type: V, ref: 477
Hvpx______88_75_5 =  6.9E-01                                  ! [atm] type: V, ref: 2966
Hvpx______88_75_5 =  7.5E-01                                  ! [atm] type: V, ref: 941
Hvpx______88_75_5 =  1.9E-01                                  ! [atm] type: V, ref: 1068
Hvpx______88_75_5 =  5.9E-01                                  ! [atm] type: R, ref: 1501
Hvpx______88_75_5 =  7.9E-01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______88_75_5 =  4.3E-01                                  ! [atm] type: C, ref: 2235
Hvpx______88_75_5 =  4.9E-01                                  ! [atm] type: Q, ref: 3627
Hvpx______88_75_5 =  8.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx______88_75_5 =  2.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______88_75_5 =  2.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______88_75_5 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______88_75_5 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______88_75_5 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______88_75_5 =  1.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______88_75_5 =  1.6E-02                                  ! [atm] type: Q, ref: 3764
Hvpx______88_75_5 =  3.6E-05                                  ! [atm] type: Q, ref: 984
Hvpx______88_75_5 =  7.8E-01                                  ! [atm] type: ?, ref: 1500

! species:  3-nitrophenol
! formula:  HOC_6H_4(NO_2)
! trivial:  
! casrn:    554-84-7
! inchikey: RTZZCYNQPHTPPL-UHFFFAOYSA-N
Hvpx_____554_84_7 =  3.5E-03                                  ! [atm] type: M, ref: 2183
Hvpx_____554_84_7 =  5.5E-01                                  ! [atm] type: V, ref: 477
Hvpx_____554_84_7 =  1.1E-04                                  ! [atm] type: X, ref: gaffney84
Hvpx_____554_84_7 =  2.6E-05                                  ! [atm] type: Q, ref: 3730
Hvpx_____554_84_7 =  3.8E-05                                  ! [atm] type: Q, ref: 3586
Hvpx_____554_84_7 =  2.5E-04                                  ! [atm] type: Q, ref: 3627
Hvpx_____554_84_7 =  2.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____554_84_7 =  4.4E-05                                  ! [atm] type: Q, ref: 2546
Hvpx_____554_84_7 =  1.1E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____554_84_7 =  5.8E-05                                  ! [atm] type: Q, ref: 2521
Hvpx_____554_84_7 =  2.6E-03                                  ! [atm] type: Q, ref: 2530
Hvpx_____554_84_7 =  1.1E-04                                  ! [atm] type: Q, ref: 2543
Hvpx_____554_84_7 =  3.6E-05                                  ! [atm] type: Q, ref: 984
Hvpx_____554_84_7 =  1.1E-04                                  ! [atm] type: ?, ref: 3586
Hvpx_____554_84_7 =  1.2E-04                                  ! [atm] type: ?, ref: 1500

! species:  4-nitrophenol
! formula:  HOC_6H_4(NO_2)
! trivial:  
! casrn:    100-02-7
! inchikey: BTJIUGUIPKRLHP-UHFFFAOYSA-N
Hvpx_____100_02_7 =  3.9E-02                                  ! [atm] type: M, ref: 3404
Hvpx_____100_02_7 =  2.6E-03                                  ! [atm] type: M, ref: 2183
Hvpx_____100_02_7 =  7.1E-04                                  ! [atm] type: M, ref: 1155
Hvpx_____100_02_7 =  1.8E-03                                  ! [atm] type: V, ref: 477
Hvpx_____100_02_7 =  2.7E-05                                  ! [atm] type: V, ref: 2966
Hvpx_____100_02_7 =  1.8E-03                                  ! [atm] type: V, ref: 941
Hvpx_____100_02_7 =  5.8E-06                                  ! [atm] type: V, ref: 2971
Hvpx_____100_02_7 =  2.1E-05 * EXP(  -9100.*(1./T-1./298.15)) ! [atm] type: T, ref: 724
Hvpx_____100_02_7 =  5.6E-02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____100_02_7 =  3.5E-01                                  ! [atm] type: C, ref: 2235
Hvpx_____100_02_7 =  2.6E-05                                  ! [atm] type: Q, ref: 3730
Hvpx_____100_02_7 =  2.5E-05                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_02_7 =  3.9E-05                                  ! [atm] type: Q, ref: 3627
Hvpx_____100_02_7 =  2.3E-05                                  ! [atm] type: Q, ref: 3689
Hvpx_____100_02_7 =  2.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_02_7 =  1.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_02_7 =  1.1E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_02_7 =  8.9E-05                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_02_7 =  2.3E-03                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_02_7 =  3.6E-05                                  ! [atm] type: Q, ref: 984
Hvpx_____100_02_7 =  2.3E-05                                  ! [atm] type: ?, ref: 3586
Hvpx_____100_02_7 =  2.1E-05                                  ! [atm] type: ?, ref: 1500

! species:  4-nitroanisole
! formula:  C_7H_7NO_3
! trivial:  
! casrn:    100-17-4
! inchikey: BNUHAJGCKIQFGE-UHFFFAOYSA-N
Hvpx_____100_17_4 =  1.1E-01                                  ! [atm] type: ?, ref: 3766

! species:  3-methyl-2-nitrophenol
! formula:  C_7H_7NO_3
! trivial:  
! casrn:    4920-77-8
! inchikey: QIORDSKCCHRSSD-UHFFFAOYSA-N
Hvpx____4920_77_8 =  1.7E-01                                  ! [atm] type: M, ref: 1155
Hvpx____4920_77_8 =  2.3E-01                                  ! [atm] type: V, ref: 941
Hvpx____4920_77_8 =  3.0E-03                                  ! [atm] type: Q, ref: 2530

! species:  4-methyl-2-nitrophenol
! formula:  C_7H_7NO_3
! trivial:  
! casrn:    119-33-5
! inchikey: SYDNSSSQVSOXTN-UHFFFAOYSA-N
Hvpx_____119_33_5 =  8.2E-01                                  ! [atm] type: M, ref: 1155
Hvpx_____119_33_5 =  9.0E-01                                  ! [atm] type: V, ref: 941
Hvpx_____119_33_5 =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____119_33_5 =  2.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____119_33_5 =  2.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____119_33_5 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____119_33_5 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____119_33_5 =  4.4E-01                                  ! [atm] type: Q, ref: 2546

! species:  5-methyl-2-nitrophenol
! formula:  C_7H_7NO_3
! trivial:  
! casrn:    700-38-9
! inchikey: NQXUSSVLFOBRSE-UHFFFAOYSA-N
Hvpx_____700_38_9 =  7.1E-01                                  ! [atm] type: M, ref: 1155
Hvpx_____700_38_9 =  8.2E-01                                  ! [atm] type: V, ref: 941
Hvpx_____700_38_9 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____700_38_9 =  7.0E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____700_38_9 =  4.4E-01                                  ! [atm] type: Q, ref: 2546

! species:  6-methyl-2-nitrophenol
! formula:  C_7H_7NO_3
! trivial:  
! casrn:    13073-29-5
! inchikey: AQDKZPFDOWHRDZ-UHFFFAOYSA-N
Hvpx___13073_29_5 =  1.9E+00                                  ! [atm] type: M, ref: 1155
Hvpx___13073_29_5 =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx___13073_29_5 =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx___13073_29_5 =  4.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx___13073_29_5 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx___13073_29_5 =  1.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx___13073_29_5 =  4.4E-01                                  ! [atm] type: Q, ref: 2546

! species:  3-methyl-4-nitrophenol
! formula:  C_7H_7NO_3
! trivial:  
! casrn:    2581-34-2
! inchikey: PIIZYNQECPTVEO-UHFFFAOYSA-N
Hvpx____2581_34_2 =  8.7E-04                                  ! [atm] type: M, ref: 1155
Hvpx____2581_34_2 =  3.5E-04                                  ! [atm] type: Q, ref: 2546
Hvpx____2581_34_2 =  1.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx____2581_34_2 =  1.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx____2581_34_2 =  2.6E-03                                  ! [atm] type: Q, ref: 2530

! species:  4-methoxy-2-nitrophenol
! formula:  C_7H_7NO_4
! trivial:  
! casrn:    1568-70-3
! inchikey: YBUGOACXDPDUIR-UHFFFAOYSA-N
Hvpx____1568_70_3 =  1.0E-01                                  ! [atm] type: M, ref: 1155
Hvpx____1568_70_3 =  2.4E+00                                  ! [atm] type: V, ref: 941
Hvpx____1568_70_3 =  8.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx____1568_70_3 =  4.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx____1568_70_3 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx____1568_70_3 =  5.8E-03                                  ! [atm] type: Q, ref: 2530

! species:  4-amino-2,6-dinitrotoluene
! formula:  C_7H_7N_3O_4
! trivial:  
! casrn:    19406-51-0
! inchikey: KQRJATLINVYHEZ-UHFFFAOYSA-N
Hvpx___19406_51_0 =  7.4E-05                                  ! [atm] type: ?, ref: 3766

! species:  4-hydroxy-3-nitro-benzaldehyde
! formula:  C_7H_5NO_4
! trivial:  
! casrn:    3011-34-5
! inchikey: YTHJCZRFJGXPTL-UHFFFAOYSA-N
Hvpx____3011_34_5 =  5.8E-02                                  ! [atm] type: V, ref: 941
Hvpx____3011_34_5 =  1.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx____3011_34_5 =  2.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx____3011_34_5 =  8.8E-04                                  ! [atm] type: Q, ref: 2546

! species:  2,4-dinitrophenol
! formula:  C_6H_4N_2O_5
! trivial:  
! casrn:    51-28-5
! inchikey: UFBJCMHMOXMLKC-UHFFFAOYSA-N
Hvpx______51_28_5 =  5.6E-04                                  ! [atm] type: M, ref: 3404
Hvpx______51_28_5 =  4.8E-03                                  ! [atm] type: M, ref: 1155
Hvpx______51_28_5 =  1.6E-02                                  ! [atm] type: V, ref: 941
Hvpx______51_28_5 =  3.7E-05                                  ! [atm] type: C, ref: 2235
Hvpx______51_28_5 =  2.8E-03                                  ! [atm] type: Q, ref: 3627
Hvpx______51_28_5 =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx______51_28_5 =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx______51_28_5 =  1.8E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______51_28_5 =  7.0E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______51_28_5 =  8.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______51_28_5 =  1.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______51_28_5 =  1.5E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______51_28_5 =  8.7E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______51_28_5 =  1.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______51_28_5 =  4.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______51_28_5 =  1.2E-02                                  ! [atm] type: Q, ref: 2530

! species:  2,5-dinitrophenol
! formula:  C_6H_4N_2O_5
! trivial:  
! casrn:    329-71-5
! inchikey: UWEZBKLLMKVIPI-UHFFFAOYSA-N
Hvpx_____329_71_5 =  3.7E-02                                  ! [atm] type: V, ref: 941
Hvpx_____329_71_5 =  4.8E-03                                  ! [atm] type: Q, ref: 3627
Hvpx_____329_71_5 =  7.0E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____329_71_5 =  1.1E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____329_71_5 =  1.4E-03                                  ! [atm] type: Q, ref: 2546

! species:  picramic acid
! formula:  C_6H_5N_3O_5
! trivial:  4,6-dinitro-2-aminophenol
! casrn:    96-91-3
! inchikey: QXYMVUZOGFVPGH-UHFFFAOYSA-N
Hvpx______96_91_3 =  5.4E-07                                  ! [atm] type: Q, ref: 3088

! species:  4-amino-2-nitrophenol
! formula:  C_6H_6N_2O_3
! trivial:  
! casrn:    119-34-6
! inchikey: WHODQVWERNSQEO-UHFFFAOYSA-N
Hvpx_____119_34_6 =  1.2E-07                                  ! [atm] type: Q, ref: 3088

! species:  2-amino-5-nitrophenol
! formula:  C_6H_6N_2O_3
! trivial:  
! casrn:    121-88-0
! inchikey: DOPJTDJKZNWLRB-UHFFFAOYSA-N
Hvpx_____121_88_0 =  4.3E-08                                  ! [atm] type: Q, ref: 3088

! species:  2-amino-4-nitrophenol
! formula:  C_6H_6N_2O_3
! trivial:  
! casrn:    99-57-0
! inchikey: VLZVIIYRNMWPSN-UHFFFAOYSA-N
Hvpx______99_57_0 =  1.2E-07                                  ! [atm] type: Q, ref: 3088

! species:  4-nitro-$o$-phenylenediamine
! formula:  C_6H_7N_3O_2
! trivial:  4-nitro-1,2-diaminobenzene
! casrn:    99-56-9
! inchikey: RAUWPNXIALNKQM-UHFFFAOYSA-N
Hvpx______99_56_9 =  4.1E-07                                  ! [atm] type: Q, ref: 3088

! species:  4-nitrobenzene-1,3-diamine
! formula:  C_6H_7N_3O_2
! trivial:  
! casrn:    5131-58-8
! inchikey: DPIZKMGPXNXSGL-UHFFFAOYSA-N
Hvpx____5131_58_8 =  3.2E-06                                  ! [atm] type: Q, ref: 3088

! species:  2-nitro-1,4-benzenediamine
! formula:  C_6H_7N_3O_2
! trivial:  
! casrn:    5307-14-2
! inchikey: HVHNMNGARPCGGD-UHFFFAOYSA-N
Hvpx____5307_14_2 =  3.2E-06                                  ! [atm] type: Q, ref: 3088

! species:  4-methyl-2,6-dinitrophenol
! formula:  C_7H_6N_2O_5
! trivial:  2,6-dinitro-$p$-cresol
! casrn:    609-93-8
! inchikey: HOYRZHJJAHRMLL-UHFFFAOYSA-N
Hvpx_____609_93_8 =  2.9E-03                                  ! [atm] type: M, ref: 1155
Hvpx_____609_93_8 =  1.7E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____609_93_8 =  1.6E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____609_93_8 =  6.2E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____609_93_8 =  6.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____609_93_8 =  1.4E-02                                  ! [atm] type: Q, ref: 2530

! species:  2-methyl-4,6-dinitrophenol
! formula:  C_7H_6N_2O_5
! trivial:  6-methyl-2,4-dinitrophenol; 4,6-dinitro-$o$-cresol; DNOC
! casrn:    534-52-1
! inchikey: ZXVONLUNISGICL-UHFFFAOYSA-N
Hvpx_____534_52_1 =  1.3E-02                                  ! [atm] type: M, ref: 1155
Hvpx_____534_52_1 =  7.7E-02                                  ! [atm] type: M, ref: 2900
Hvpx_____534_52_1 =  6.0E-03                                  ! [atm] type: V, ref: 2614
Hvpx_____534_52_1 =  2.4E-02                                  ! [atm] type: V, ref: 941
Hvpx_____534_52_1 =  6.0E-03                                  ! [atm] type: V, ref: 1157
Hvpx_____534_52_1 =  6.1E-01                                  ! [atm] type: X, ref: barcelo97
Hvpx_____534_52_1 =  7.7E-02                                  ! [atm] type: C, ref: 3083
Hvpx_____534_52_1 =  3.1E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____534_52_1 =  4.3E-04                                  ! [atm] type: Q, ref: 3586
Hvpx_____534_52_1 =  3.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_____534_52_1 =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_____534_52_1 =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____534_52_1 =  1.7E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____534_52_1 =  2.4E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____534_52_1 =  2.9E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____534_52_1 =  7.6E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____534_52_1 =  1.3E-01                                  ! [atm] type: Q, ref: 3729
Hvpx_____534_52_1 =  1.6E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____534_52_1 =  7.7E-02                                  ! [atm] type: ?, ref: 3586

! species:  5-nitrobenzimidazole
! formula:  C_7H_5N_3O_2
! trivial:  
! casrn:    94-52-0
! inchikey: XPAZGLFMMUODDK-UHFFFAOYSA-N
Hvpx______94_52_0 =  2.0E-02                                  ! [atm] type: Q, ref: 3088

! species:  3-nitrobenzoic acid
! formula:  C_7H_5NO_4
! trivial:  
! casrn:    121-92-6
! inchikey: AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Hvpx_____121_92_6 =  1.6E-04                                  ! [atm] type: Q, ref: 3627

! species:  4-nitrobenzoic acid
! formula:  C_7H_5NO_4
! trivial:  
! casrn:    62-23-7
! inchikey: OTLNPYWUJOZPPA-UHFFFAOYSA-N
Hvpx______62_23_7 =  1.7E-04                                  ! [atm] type: Q, ref: 3627
Hvpx______62_23_7 =  2.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  3,5-dinitrobenzoic acid
! formula:  C_7H_4N_2O_6
! trivial:  
! casrn:    99-34-3
! inchikey: VYWYYJYRVSBHJQ-UHFFFAOYSA-N
Hvpx______99_34_3 =  6.8E-06                                  ! [atm] type: Q, ref: 3627

! species:  2,4,6-trinitrobenzoic acid
! formula:  C_7H_3N_3O_8
! trivial:  
! casrn:    129-66-8
! inchikey: KAQBNBSMMVTKRN-UHFFFAOYSA-N
Hvpx_____129_66_8 =  1.4E-09                                  ! [atm] type: Q, ref: 3088

! species:  dinitrotoluene
! formula:  C_7H_6N_2O_4
! trivial:  
! casrn:    25321-14-6
! inchikey: MOSFIJXAXDLOML-UHFFFAOYSA-N
Hvpx___25321_14_6 =  5.1E-03                                  ! [atm] type: Q, ref: 3088

! species:  1-methyl-3,5-dinitrobenzene
! formula:  C_7H_6N_2O_4
! trivial:  
! casrn:    618-85-9
! inchikey: RUIFULUFLANOCI-UHFFFAOYSA-N
Hvpx_____618_85_9 =  5.1E-03                                  ! [atm] type: Q, ref: 3088

! species:  1-methoxy-2-nitrobenzene
! formula:  C_7H_7NO_3
! trivial:  
! casrn:    91-23-6
! inchikey: CFBYEGUGFPZCNF-UHFFFAOYSA-N
Hvpx______91_23_6 =  2.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx______91_23_6 =  2.4E-02                                  ! [atm] type: V, ref: 3088
Hvpx______91_23_6 =  1.7E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______91_23_6 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______91_23_6 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______91_23_6 =  7.0E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______91_23_6 =  3.3E-03                                  ! [atm] type: Q, ref: 3764

! species:  2-methyl-5-nitrobenzenamine
! formula:  C_7H_8N_2O_2
! trivial:  5-nitro-$o$-toluidine
! casrn:    99-55-8
! inchikey: DSBIJCMXAIKKKI-UHFFFAOYSA-N
Hvpx______99_55_8 =  4.6E-04                                  ! [atm] type: Q, ref: 3088

! species:  2-methoxy-5-nitrobenzenamine
! formula:  C_7H_8N_2O_3
! trivial:  5-nitro-$o$-anisidine
! casrn:    99-59-2
! inchikey: NIPDVSLAMPAWTP-UHFFFAOYSA-N
Hvpx______99_59_2 =  7.2E-04                                  ! [atm] type: Q, ref: 3088

! species:  (2-nitroethenyl)benzene
! formula:  C_8H_7NO_2
! trivial:  
! casrn:    102-96-5
! inchikey: PIAOLBVUVDXHHL-UHFFFAOYSA-N
Hvpx_____102_96_5 =  1.9E-01                                  ! [atm] type: Q, ref: 3088

! species:  1,2-dimethyl-3-nitrobenzene
! formula:  C_8H_9NO_2
! trivial:  
! casrn:    83-41-0
! inchikey: FVHAWXWFPBPFOS-UHFFFAOYSA-N
Hvpx______83_41_0 =  2.8E+00                                  ! [atm] type: Q, ref: 3088
Hvpx______83_41_0 =  1.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______83_41_0 =  1.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______83_41_0 =  2.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______83_41_0 =  5.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  1,2-dimethyl-4-nitrobenzene
! formula:  C_8H_9NO_2
! trivial:  
! casrn:    99-51-4
! inchikey: HFZKOYWDLDYELC-UHFFFAOYSA-N
Hvpx______99_51_4 =  1.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______99_51_4 =  1.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______99_51_4 =  6.8E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______99_51_4 =  5.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  1,4-dimethyl-2-nitrobenzene
! formula:  C_8H_9NO_2
! trivial:  
! casrn:    89-58-7
! inchikey: BSFHJMGROOFSRA-UHFFFAOYSA-N
Hvpx______89_58_7 =  1.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______89_58_7 =  2.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______89_58_7 =  2.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______89_58_7 =  5.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  2,4-dimethyl-1-nitrobenzene
! formula:  C_8H_9NO_2
! trivial:  
! casrn:    89-87-2
! inchikey: BBUPBICWUURTNP-UHFFFAOYSA-N
Hvpx______89_87_2 =  1.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______89_87_2 =  1.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______89_87_2 =  1.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______89_87_2 =  5.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  4-methyl-2-nitroanisole
! formula:  C_8H_9NO_3
! trivial:  
! casrn:    119-10-8
! inchikey: LGNMURXRPLMVJI-UHFFFAOYSA-N
Hvpx_____119_10_8 =  7.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____119_10_8 =  3.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____119_10_8 =  9.2E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____119_10_8 =  2.0E-01                                  ! [atm] type: Q, ref: 2995

! species:  2-methyl-3-nitrobenzoic acid
! formula:  C_8H_7NO_4
! trivial:  
! casrn:    1975-50-4
! inchikey: YPQAFWHSMWWPLX-UHFFFAOYSA-N
Hvpx____1975_50_4 =  2.5E-04                                  ! [atm] type: Q, ref: 3627

! species:  3-methyl-4-nitrobenzoic acid
! formula:  C_8H_7NO_4
! trivial:  
! casrn:    3113-71-1
! inchikey: XDTTUTIFWDAMIX-UHFFFAOYSA-N
Hvpx____3113_71_1 =  5.9E-04                                  ! [atm] type: Q, ref: 3627

! species:  2-methyl-3,5-dinitrobenzoic acid
! formula:  C_8H_6N_2O_6
! trivial:  
! casrn:    28169-46-2
! inchikey: CDVNZMKTJIBBBV-UHFFFAOYSA-N
Hvpx___28169_46_2 =  1.5E-07                                  ! [atm] type: Q, ref: 3627

! species:  1-(1-methylethyl)-4-nitrobenzene
! formula:  C_9H_{11}NO_2
! trivial:  
! casrn:    1817-47-6
! inchikey: JXMYUMNAEKRMIP-UHFFFAOYSA-N
Hvpx____1817_47_6 =  2.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1817_47_6 =  4.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1817_47_6 =  1.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1817_47_6 =  3.9E+00                                  ! [atm] type: Q, ref: 2995

! species:  5-nitro-8-hydroxyquinoline
! formula:  C_9H_6N_2O_3
! trivial:  nitroxoline
! casrn:    4008-48-4
! inchikey: RJIWZDNTCBHXAL-UHFFFAOYSA-N
Hvpx____4008_48_4 =  2.0E-04                                  ! [atm] type: Q, ref: 3627

! species:  2-(1-methylpropyl)-4,6-dinitrophenol
! formula:  C_{10}H_{12}N_2O_5
! trivial:  dinoseb
! casrn:    88-85-7
! inchikey: OWZPCEFYPSAJFR-UHFFFAOYSA-N
Hvpx______88_85_7 =  2.5E-01                                  ! [atm] type: M, ref: 1155
Hvpx______88_85_7 =  2.8E+01                                  ! [atm] type: V, ref: 1157
Hvpx______88_85_7 =  2.8E+03                                  ! [atm] type: X, ref: barcelo97
Hvpx______88_85_7 =  3.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______88_85_7 =  1.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______88_85_7 =  4.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______88_85_7 =  1.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______88_85_7 =  8.9E+01                                  ! [atm] type: Q, ref: 3729
Hvpx______88_85_7 =  3.3E-04                                  ! [atm] type: ?, ref: 3087

! species:  1-nitronaphthalene
! formula:  C_{10}H_7NO_2
! trivial:  
! casrn:    86-57-7
! inchikey: RJKGJBPXVHTNJL-UHFFFAOYSA-N
Hvpx______86_57_7 =  1.2E-01                                  ! [atm] type: M, ref: 3404
Hvpx______86_57_7 =  9.7E-02                                  ! [atm] type: M, ref: 1195
Hvpx______86_57_7 =  1.9E+00                                  ! [atm] type: V, ref: 636
Hvpx______86_57_7 =  1.4E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______86_57_7 =  5.6E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______86_57_7 =  8.5E-02                                  ! [atm] type: Q, ref: 3627
Hvpx______86_57_7 =  1.6E-01                                  ! [atm] type: Q, ref: 3400
Hvpx______86_57_7 =  1.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______86_57_7 =  1.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______86_57_7 =  3.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______86_57_7 =  1.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______86_57_7 =  2.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______86_57_7 =  9.7E-02                                  ! [atm] type: ?, ref: 3586

! species:  2-nitronaphthalene
! formula:  C_{10}H_7NO_2
! trivial:  
! casrn:    581-89-5
! inchikey: ZJYJZEAJZXVAMF-UHFFFAOYSA-N
Hvpx_____581_89_5 =  8.0E-02                                  ! [atm] type: Q, ref: 3400

! species:  1,3-dinitronaphthalene
! formula:  C_{10}H_6N_2O_4
! trivial:  
! casrn:    606-37-1
! inchikey: ULALSFRIGPMWRS-UHFFFAOYSA-N
Hvpx_____606_37_1 =  4.6E-03                                  ! [atm] type: Q, ref: 3400

! species:  1,5-dinitronaphthalene
! formula:  C_{10}H_6N_2O_4
! trivial:  
! casrn:    605-71-0
! inchikey: ZUTCJXFCHHDFJS-UHFFFAOYSA-N
Hvpx_____605_71_0 =  5.1E-03                                  ! [atm] type: Q, ref: 3400

! species:  1,8-dinitronaphthalene
! formula:  C_{10}H_6N_2O_4
! trivial:  
! casrn:    602-38-0
! inchikey: AVCSMMMOCOTIHF-UHFFFAOYSA-N
Hvpx_____602_38_0 =  1.0E-04                                  ! [atm] type: Q, ref: 3400

! species:  dinoterb
! formula:  C_{10}H_{12}N_2O_5
! trivial:  
! casrn:    1420-07-1
! inchikey: IIPZYDQGBIWLBU-UHFFFAOYSA-N
Hvpx____1420_07_1 =  3.3E-01                                  ! [atm] type: X, ref: barcelo97
Hvpx____1420_07_1 =  6.0E-01                                  ! [atm] type: Q, ref: 3729
Hvpx____1420_07_1 =  5.8E-01                                  ! [atm] type: ?, ref: 3087

! species:  4-(1-methylpropyl)-2-nitrophenol
! formula:  C_{10}H_{13}NO_3
! trivial:  4-{\it sec}-butyl-2-nitrophenol
! casrn:    3555-18-8
! inchikey: GCDCKEORRIGZKI-UHFFFAOYSA-N
Hvpx____3555_18_8 =  5.3E+00                                  ! [atm] type: M, ref: 1155
Hvpx____3555_18_8 =  2.3E+00                                  ! [atm] type: V, ref: 941
Hvpx____3555_18_8 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx____3555_18_8 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx____3555_18_8 =  1.1E+00                                  ! [atm] type: Q, ref: 2546

! species:  1-methyl-4-nitronaphthalene
! formula:  C_{11}H_9NO_2
! trivial:  
! casrn:    880-93-3
! inchikey: FRLVKAJKOYFHKQ-UHFFFAOYSA-N
Hvpx_____880_93_3 =  7.1E-02                                  ! [atm] type: Q, ref: 3400

! species:  1-methyl-5-nitronaphthalene
! formula:  C_{11}H_9NO_2
! trivial:  
! casrn:    91137-27-8
! inchikey: AOSRALZFDNFXFZ-UHFFFAOYSA-N
Hvpx___91137_27_8 =  1.1E-01                                  ! [atm] type: Q, ref: 3400

! species:  1-methyl-6-nitronaphthalene
! formula:  C_{11}H_9NO_2
! trivial:  
! casrn:    105752-67-8
! inchikey: SOXBGESONWKYDX-UHFFFAOYSA-N
Hvpx__105752_67_8 =  1.1E-01                                  ! [atm] type: Q, ref: 3400

! species:  2-methyl-1-nitronaphthalene
! formula:  C_{11}H_9NO_2
! trivial:  
! casrn:    881-03-8
! inchikey: IZNWACYOILBFEG-UHFFFAOYSA-N
Hvpx_____881_03_8 =  3.7E-01                                  ! [atm] type: Q, ref: 3400

! species:  3-methyl-1-nitronaphthalene
! formula:  C_{11}H_9NO_2
! trivial:  
! casrn:    13615-38-8
! inchikey: HKMFJWNUOWBRGF-UHFFFAOYSA-N
Hvpx___13615_38_8 =  1.4E-01                                  ! [atm] type: Q, ref: 3400

! species:  3-nitrodibenzofuran
! formula:  C_{12}H_7NO_3
! trivial:  
! casrn:    5410-97-9
! inchikey: UVFAHDAUVZRVCC-UHFFFAOYSA-N
Hvpx____5410_97_9 =  2.1E-02                                  ! [atm] type: Q, ref: 3400

! species:  musk ambrette (artificial)
! formula:  C_{12}H_{16}N_2O_5
! trivial:  
! casrn:    83-66-9
! inchikey: SUAUILGSCPYJCS-UHFFFAOYSA-N
Hvpx______83_66_9 =  3.9E-02                                  ! [atm] type: Q, ref: 3088
Hvpx______83_66_9 =  7.8E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______83_66_9 =  2.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______83_66_9 =  2.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______83_66_9 =  1.2E-02                                  ! [atm] type: Q, ref: 2995

! species:  bis($p$-nitrophenyl) ether
! formula:  C_{12}H_8N_2O_5
! trivial:  
! casrn:    101-63-3
! inchikey: MWAGUKZCDDRDCS-UHFFFAOYSA-N
Hvpx_____101_63_3 =  1.0E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_63_3 =  2.4E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_63_3 =  1.8E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_63_3 =  4.8E-05                                  ! [atm] type: Q, ref: 2995

! species:  4-nitroazobenzene
! formula:  C_{12}H_9N_3O_2
! trivial:  
! casrn:    2491-52-3
! inchikey: TZTDJBMGPQLSLI-UHFFFAOYSA-N
Hvpx____2491_52_3 =  3.0E-02                                  ! [atm] type: ?, ref: 3766

! species:  4-nitro-N-phenylbenzenamine
! formula:  C_{12}H_{10}N_2O_2
! trivial:  
! casrn:    836-30-6
! inchikey: XXYMSQQCBUKFHE-UHFFFAOYSA-N
Hvpx_____836_30_6 =  2.3E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____836_30_6 =  3.2E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____836_30_6 =  1.9E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____836_30_6 =  2.1E-04                                  ! [atm] type: Q, ref: 2995

! species:  2-cyclohexyl-4,6-dinitrophenol
! formula:  C_{12}H_{14}N_2O_5
! trivial:  
! casrn:    131-89-5
! inchikey: QJYHUJAGJUHXJN-UHFFFAOYSA-N
Hvpx_____131_89_5 =  3.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  dinoseb acetate
! formula:  C_{12}H_{14}N_2O_6
! trivial:  
! casrn:    2813-95-8
! inchikey: RDJTWDKSYLLHRW-UHFFFAOYSA-N
Hvpx____2813_95_8 =  3.6E-04                                  ! [atm] type: ?, ref: 3766

! species:  dipicrylamine
! formula:  C_{12}H_5N_7O_{12}
! trivial:  2,2',4,4',6,6'-hexanitrodiphenylamine
! casrn:    131-73-7
! inchikey: CBCIHIVRDWLAME-UHFFFAOYSA-N
Hvpx_____131_73_7 =  1.3E-12                                  ! [atm] type: Q, ref: 3088

! species:  1,2-dihydro-5-nitroacenaphthylene
! formula:  C_{12}H_9NO_2
! trivial:  5-nitroacenaphthene
! casrn:    602-87-9
! inchikey: CUARLQDWYSRQDF-UHFFFAOYSA-N
Hvpx_____602_87_9 =  6.1E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____602_87_9 =  5.9E-02                                  ! [atm] type: Q, ref: 3400

! species:  2-nitro-1,1'-biphenyl
! formula:  C_{12}H_9NO_2
! trivial:  
! casrn:    86-00-0
! inchikey: YOJKKXRJMXIKSR-UHFFFAOYSA-N
Hvpx______86_00_0 =  3.5E-02                                  ! [atm] type: Q, ref: 3400

! species:  3-nitro-1,1'-biphenyl
! formula:  C_{12}H_9NO_2
! trivial:  
! casrn:    2113-58-8
! inchikey: FYRPEHRWMVMHQM-UHFFFAOYSA-N
Hvpx____2113_58_8 =  5.5E-02                                  ! [atm] type: Q, ref: 3400

! species:  4-nitro-1,1'-biphenyl
! formula:  C_{12}H_9NO_2
! trivial:  
! casrn:    92-93-3
! inchikey: BAJQRLZAPXASRD-UHFFFAOYSA-N
Hvpx______92_93_3 =  2.0E-01                                  ! [atm] type: Q, ref: 3088
Hvpx______92_93_3 =  2.2E-02                                  ! [atm] type: Q, ref: 3400

! species:  2-nitro-9H-fluorene
! formula:  C_{13}H_9NO_2
! trivial:  
! casrn:    607-57-8
! inchikey: XFOHWECQTFIEIX-UHFFFAOYSA-N
Hvpx_____607_57_8 =  1.6E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____607_57_8 =  5.7E-03                                  ! [atm] type: Q, ref: 3400

! species:  5-{\it tert}-butyl-4,6-dinitro-1,2,3-trimethylbenzene
! formula:  C_{13}H_{18}N_2O_4
! trivial:  
! casrn:    145-39-1
! inchikey: MINYPECWDZURGR-UHFFFAOYSA-N
Hvpx_____145_39_1 =  1.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____145_39_1 =  2.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____145_39_1 =  1.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____145_39_1 =  4.9E-01                                  ! [atm] type: Q, ref: 2995

! species:  penoxaline
! formula:  C_{13}H_{19}N_3O_4
! trivial:  pendimethalin
! casrn:    40487-42-1
! inchikey: CHIFOSRWCNZCFN-UHFFFAOYSA-N
Hvpx___40487_42_1 =  4.7E-02                                  ! [atm] type: M, ref: 1144
Hvpx___40487_42_1 =  2.0E+00                                  ! [atm] type: V, ref: 2452
Hvpx___40487_42_1 =  2.1E+02                                  ! [atm] type: X, ref: barcelo97
Hvpx___40487_42_1 =  1.1E+02                                  ! [atm] type: Q, ref: 3729
Hvpx___40487_42_1 =  1.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx___40487_42_1 =  1.6E-02                                  ! [atm] type: Q, ref: 2530
Hvpx___40487_42_1 =  6.9E-01                                  ! [atm] type: ?, ref: 3549

! species:  2,6-dinitro-4-octylphenol
! formula:  C_{14}H_{20}N_2O_5
! trivial:  
! casrn:    4097-33-0
! inchikey: NYGISSDEOKKXOE-UHFFFAOYSA-N
Hvpx____4097_33_0 =  3.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  musk ketone
! formula:  C_{14}H_{18}N_2O_5
! trivial:  
! casrn:    81-14-1
! inchikey: WXCMHFPAUCOJIG-UHFFFAOYSA-N
Hvpx______81_14_1 =  1.8E-01                                  ! [atm] type: M, ref: 3014
Hvpx______81_14_1 =  1.1E-04                                  ! [atm] type: Q, ref: 3088
Hvpx______81_14_1 =  2.6E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______81_14_1 =  2.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______81_14_1 =  6.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______81_14_1 =  1.1E-03                                  ! [atm] type: Q, ref: 2995

! species:  moskene
! formula:  C_{14}H_{18}N_2O_4
! trivial:  
! casrn:    116-66-5
! inchikey: UHWURQRPEIFIAK-UHFFFAOYSA-N
Hvpx_____116_66_5 =  1.1E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____116_66_5 =  4.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____116_66_5 =  7.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____116_66_5 =  2.1E-01                                  ! [atm] type: Q, ref: 2995

! species:  nitrothal-isopropyl
! formula:  C_{14}H_{17}NO_6
! trivial:  
! casrn:    10552-74-6
! inchikey: VJAWBEFMCIINFU-UHFFFAOYSA-N
Hvpx___10552_74_6 =  9.6E-04                                  ! [atm] type: ?, ref: 3766

! species:  9-ethyl-3-nitrocarbazole
! formula:  C_{14}H_{12}N_2O_2
! trivial:  
! casrn:    86-20-4
! inchikey: WONHLSYSHMRRGO-UHFFFAOYSA-N
Hvpx______86_20_4 =  1.7E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______86_20_4 =  8.0E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______86_20_4 =  5.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______86_20_4 =  2.2E-03                                  ! [atm] type: Q, ref: 2995

! species:  2-nitroanthracene
! formula:  C_{14}H_9NO_2
! trivial:  
! casrn:    3586-69-4
! inchikey: NZWGQBVOKHEKLD-UHFFFAOYSA-N
Hvpx____3586_69_4 =  5.3E-03                                  ! [atm] type: Q, ref: 3400

! species:  9-nitroanthracene
! formula:  C_{14}H_9NO_2
! trivial:  
! casrn:    602-60-8
! inchikey: LSIKFJXEYJIZNB-UHFFFAOYSA-N
Hvpx_____602_60_8 =  3.5E-02                                  ! [atm] type: Q, ref: 3400

! species:  3-nitrophenanthrene
! formula:  C_{14}H_9NO_2
! trivial:  
! casrn:    17024-19-0
! inchikey: CPRHWWUDRYJODK-UHFFFAOYSA-N
Hvpx___17024_19_0 =  1.0E-02                                  ! [atm] type: Q, ref: 3400

! species:  9-nitrophenanthrene
! formula:  C_{14}H_9NO_2
! trivial:  
! casrn:    954-46-1
! inchikey: QTTCNQHPKFAYEZ-UHFFFAOYSA-N
Hvpx_____954_46_1 =  1.7E-02                                  ! [atm] type: Q, ref: 3400

! species:  binapacryl
! formula:  C_{15}H_{18}N_2O_6
! trivial:  
! casrn:    485-31-4
! inchikey: ZRDUSMYWDRPZRM-UHFFFAOYSA-N
Hvpx_____485_31_4 =  2.5E-03                                  ! [atm] type: ?, ref: 3766

! species:  2-nitrofluoranthene
! formula:  C_{16}H_9NO_2
! trivial:  
! casrn:    13177-29-2
! inchikey: VBCBFNMZBHKVQN-UHFFFAOYSA-N
Hvpx___13177_29_2 =  6.6E-03                                  ! [atm] type: Q, ref: 3400

! species:  3-nitrofluoranthene
! formula:  C_{16}H_9NO_2
! trivial:  
! casrn:    892-21-7
! inchikey: PIHGQKMEAMSUNA-UHFFFAOYSA-N
Hvpx_____892_21_7 =  4.8E-03                                  ! [atm] type: Q, ref: 3400

! species:  1-[(2,4-dinitrophenyl)azo]-2-naphthol
! formula:  C_{16}H_{10}N_4O_5
! trivial:  C.I. pigment orange 5
! casrn:    3468-63-1
! inchikey: HBHZKFOUIUMKHV-UHFFFAOYSA-N
Hvpx____3468_63_1 =  5.0E-10                                  ! [atm] type: Q, ref: 3088

! species:  3,7-dinitrofluoranthene
! formula:  C_{16}H_8N_2O_4
! trivial:  
! casrn:    105735-71-5
! inchikey: WAAHHGKGQYVTNS-UHFFFAOYSA-N
Hvpx__105735_71_5 =  1.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  1,3-dinitropyrene
! formula:  C_{16}H_8N_2O_4
! trivial:  
! casrn:    75321-20-9
! inchikey: UJIPQBOHUQDIAA-UHFFFAOYSA-N
Hvpx___75321_20_9 =  8.6E-05                                  ! [atm] type: Q, ref: 3400

! species:  1,6-dinitropyrene
! formula:  C_{16}H_8N_2O_4
! trivial:  
! casrn:    42397-64-8
! inchikey: GUXACCKTQWVTLG-UHFFFAOYSA-N
Hvpx___42397_64_8 =  7.2E-06                                  ! [atm] type: Q, ref: 3088
Hvpx___42397_64_8 =  7.5E-05                                  ! [atm] type: Q, ref: 3400

! species:  1,8-dinitropyrene
! formula:  C_{16}H_8N_2O_4
! trivial:  
! casrn:    42397-65-9
! inchikey: BLYXNIHKOMELAP-UHFFFAOYSA-N
Hvpx___42397_65_9 =  7.2E-06                                  ! [atm] type: Q, ref: 3088
Hvpx___42397_65_9 =  2.4E-05                                  ! [atm] type: Q, ref: 3400

! species:  1-nitropyrene
! formula:  C_{16}H_9NO_2
! trivial:  
! casrn:    5522-43-0
! inchikey: ALRLPDGCPYIVHP-UHFFFAOYSA-N
Hvpx____5522_43_0 =  1.4E-03                                  ! [atm] type: Q, ref: 3088
Hvpx____5522_43_0 =  2.7E-03                                  ! [atm] type: Q, ref: 3400

! species:  2-nitropyrene
! formula:  C_{16}H_9NO_2
! trivial:  
! casrn:    789-07-1
! inchikey: MAZCGYFIOOIVHE-UHFFFAOYSA-N
Hvpx_____789_07_1 =  6.1E-03                                  ! [atm] type: Q, ref: 3400

! species:  4-nitropyrene
! formula:  C_{16}H_9NO_2
! trivial:  
! casrn:    57835-92-4
! inchikey: UISKIUIWPSPSAV-UHFFFAOYSA-N
Hvpx___57835_92_4 =  1.4E-03                                  ! [atm] type: Q, ref: 3088

! species:  N,N-diethyl-4-[(4-nitrophenyl)azo]aniline
! formula:  C_{16}H_{18}N_4O_2
! trivial:  
! casrn:    3025-52-3
! inchikey: LVQIWDUSUJTZJF-ISLYRVAYSA-N
Hvpx____3025_52_3 =  1.5E-01                                  ! [atm] type: V, ref: 3586
Hvpx____3025_52_3 =  3.8E-04                                  ! [atm] type: Q, ref: 3586

! species:  disperse red 1
! formula:  C_{16}H_{18}N_4O_3
! trivial:  
! casrn:    2872-52-8
! inchikey: FOQABOMYTOFLPZ-ZCXUNETKSA-N
Hvpx____2872_52_8 =  4.6E-09                                  ! [atm] type: V, ref: 3586
Hvpx____2872_52_8 =  4.9E-07                                  ! [atm] type: Q, ref: 3586

! species:  1-[(4-methyl-2-nitrophenyl)azo]-2-naphthalenol
! formula:  C_{17}H_{13}N_3O_3
! trivial:  C.I. Pigment Red 3
! casrn:    2425-85-6
! inchikey: ZLFVRXUOSPRRKQ-UHFFFAOYSA-N
Hvpx____2425_85_6 =  6.6E-08                                  ! [atm] type: Q, ref: 3088

! species:  phenyl 1-hydroxy-4-nitro-2-naphthoate
! formula:  C_{17}H_{11}NO_5
! trivial:  
! casrn:    65208-34-6
! inchikey: DMPUGHYNLCGVPX-UHFFFAOYSA-N
Hvpx___65208_34_6 =  3.6E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___65208_34_6 =  8.2E-07                                  ! [atm] type: Q, ref: 2995
Hvpx___65208_34_6 =  5.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___65208_34_6 =  2.0E-06                                  ! [atm] type: Q, ref: 2995

! species:  7-nitrobenz[$a$]anthracene
! formula:  C_{18}H_{11}NO_2
! trivial:  
! casrn:    20268-51-3
! inchikey: KOPVBVBUIYTJBG-UHFFFAOYSA-N
Hvpx___20268_51_3 =  5.5E-03                                  ! [atm] type: Q, ref: 3400

! species:  6-nitrochrysene
! formula:  C_{18}H_{11}NO_2
! trivial:  
! casrn:    7496-02-8
! inchikey: UAWLTQJFZUYROA-UHFFFAOYSA-N
Hvpx____7496_02_8 =  8.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  meptyldinocap
! formula:  C_{18}H_{24}N_2O_6
! trivial:  
! casrn:    131-72-6
! inchikey: NIOPZPCMRQGZCE-WEVVVXLNSA-N
Hvpx_____131_72_6 =  6.3E-03                                  ! [atm] type: ?, ref: 3549

! species:  1-nitrobenzo[$a$]pyrene
! formula:  C_{20}H_{11}NO_2
! trivial:  
! casrn:    70021-99-7
! inchikey: ICKISBPYFVBVQG-UHFFFAOYSA-N
Hvpx___70021_99_7 =  1.8E-04                                  ! [atm] type: Q, ref: 3088

! species:  3-nitrobenzo[$a$]pyrene
! formula:  C_{20}H_{11}NO_2
! trivial:  
! casrn:    70021-98-6
! inchikey: CQIJHYPCKYZMIV-UHFFFAOYSA-N
Hvpx___70021_98_6 =  1.8E-04                                  ! [atm] type: Q, ref: 3088

! species:  6-nitrobenzo[$a$]pyrene
! formula:  C_{20}H_{11}NO_2
! trivial:  
! casrn:    63041-90-7
! inchikey: NMMAFYSZGOFZCM-UHFFFAOYSA-N
Hvpx___63041_90_7 =  1.8E-04                                  ! [atm] type: Q, ref: 3088
Hvpx___63041_90_7 =  1.6E-03                                  ! [atm] type: Q, ref: 3400

! species:  MCM:NPHEN1OOH
! formula:  C_6H_5NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QKMAXSKQIHICGE-UHFFFAOYSA-N
Hvpx_QKMAXSKQIHICGE_UHFFFAOYSA_N =  1.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QKMAXSKQIHICGE_UHFFFAOYSA_N =  1.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QKMAXSKQIHICGE_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NCATECHOL
! formula:  C_6H_5NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XJNPNXSISMKQEX-UHFFFAOYSA-N
Hvpx_XJNPNXSISMKQEX_UHFFFAOYSA_N =  1.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XJNPNXSISMKQEX_UHFFFAOYSA_N =  6.9E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XJNPNXSISMKQEX_UHFFFAOYSA_N =  9.1E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NCRES1OOH
! formula:  C_7H_7NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PUXUHFKGXFXGAC-UHFFFAOYSA-N
Hvpx_PUXUHFKGXFXGAC_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PUXUHFKGXFXGAC_UHFFFAOYSA_N =  6.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PUXUHFKGXFXGAC_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MNCATECH
! formula:  C_7H_7NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DPKDSDOOIONLAG-UHFFFAOYSA-N
Hvpx_DPKDSDOOIONLAG_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DPKDSDOOIONLAG_UHFFFAOYSA_N =  6.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_DPKDSDOOIONLAG_UHFFFAOYSA_N =  1.5E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NEBNZ1OOH
! formula:  C_8H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WELXCAQABDDCET-UHFFFAOYSA-N
Hvpx_WELXCAQABDDCET_UHFFFAOYSA_N =  4.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WELXCAQABDDCET_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WELXCAQABDDCET_UHFFFAOYSA_N =  3.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMXYOL1OOH
! formula:  C_8H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WHVCHTZZXIECJY-UHFFFAOYSA-N
Hvpx_WHVCHTZZXIECJY_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WHVCHTZZXIECJY_UHFFFAOYSA_N =  2.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WHVCHTZZXIECJY_UHFFFAOYSA_N =  2.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOXYOL1OOH
! formula:  C_8H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WTJTXPQAQHBAPV-UHFFFAOYSA-N
Hvpx_WTJTXPQAQHBAPV_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WTJTXPQAQHBAPV_UHFFFAOYSA_N =  4.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WTJTXPQAQHBAPV_UHFFFAOYSA_N =  6.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPXYOL1OOH
! formula:  C_8H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MKCNKDVBVLGUFV-UHFFFAOYSA-N
Hvpx_MKCNKDVBVLGUFV_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MKCNKDVBVLGUFV_UHFFFAOYSA_N =  4.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MKCNKDVBVLGUFV_UHFFFAOYSA_N =  2.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DM124OHNO2
! formula:  C_8H_9NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KGDIYDUZVHFMHQ-UHFFFAOYSA-N
Hvpx_KGDIYDUZVHFMHQ_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KGDIYDUZVHFMHQ_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KGDIYDUZVHFMHQ_UHFFFAOYSA_N =  9.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMPHOHNO2
! formula:  C_8H_9NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YXNYMZXPUWOUJT-UHFFFAOYSA-N
Hvpx_YXNYMZXPUWOUJT_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_YXNYMZXPUWOUJT_UHFFFAOYSA_N =  4.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YXNYMZXPUWOUJT_UHFFFAOYSA_N =  1.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNEBNZOL
! formula:  C_8H_8N_2O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: SYWMIOFIFBKHTK-UHFFFAOYSA-N
Hvpx_SYWMIOFIFBKHTK_UHFFFAOYSA_N =  4.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_SYWMIOFIFBKHTK_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SYWMIOFIFBKHTK_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNMXYOL
! formula:  C_8H_8N_2O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: MHXAYMPVZDCVJX-UHFFFAOYSA-N
Hvpx_MHXAYMPVZDCVJX_UHFFFAOYSA_N =  5.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MHXAYMPVZDCVJX_UHFFFAOYSA_N =  2.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MHXAYMPVZDCVJX_UHFFFAOYSA_N =  2.9E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNOXYOL
! formula:  C_8H_8N_2O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: JCTQXQRGEDMCSI-UHFFFAOYSA-N
Hvpx_JCTQXQRGEDMCSI_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JCTQXQRGEDMCSI_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_JCTQXQRGEDMCSI_UHFFFAOYSA_N =  2.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNPXYOL
! formula:  C_8H_8N_2O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RROXWBBJMPCPHD-UHFFFAOYSA-N
Hvpx_RROXWBBJMPCPHD_UHFFFAOYSA_N =  6.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_RROXWBBJMPCPHD_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RROXWBBJMPCPHD_UHFFFAOYSA_N =  3.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:EBNZOHNO2
! formula:  C_8H_9NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RSETVJMGQZKFCF-UHFFFAOYSA-N
Hvpx_RSETVJMGQZKFCF_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_RSETVJMGQZKFCF_UHFFFAOYSA_N =  4.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RSETVJMGQZKFCF_UHFFFAOYSA_N =  7.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:ENCATECH
! formula:  C_8H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CGDBCFCRALNPBR-UHFFFAOYSA-N
Hvpx_CGDBCFCRALNPBR_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CGDBCFCRALNPBR_UHFFFAOYSA_N =  1.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CGDBCFCRALNPBR_UHFFFAOYSA_N =  2.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXNCATECH
! formula:  C_8H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DNJZITGVNONOFW-UHFFFAOYSA-N
Hvpx_DNJZITGVNONOFW_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DNJZITGVNONOFW_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_DNJZITGVNONOFW_UHFFFAOYSA_N =  2.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MXY1OHNO2
! formula:  C_8H_9NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KJRCHILWKQLEBC-UHFFFAOYSA-N
Hvpx_KJRCHILWKQLEBC_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KJRCHILWKQLEBC_UHFFFAOYSA_N =  3.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KJRCHILWKQLEBC_UHFFFAOYSA_N =  4.0E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXNCATECH
! formula:  C_8H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BBBHATWMUPCFKG-UHFFFAOYSA-N
Hvpx_BBBHATWMUPCFKG_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BBBHATWMUPCFKG_UHFFFAOYSA_N =  6.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_BBBHATWMUPCFKG_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OXY1OHNO2
! formula:  C_8H_9NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KXWOAPZXQJGYPU-UHFFFAOYSA-N
Hvpx_KXWOAPZXQJGYPU_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KXWOAPZXQJGYPU_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KXWOAPZXQJGYPU_UHFFFAOYSA_N =  2.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXNCATECH
! formula:  C_8H_9NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MAHUOFZDOBGDSU-UHFFFAOYSA-N
Hvpx_MAHUOFZDOBGDSU_UHFFFAOYSA_N =  5.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_MAHUOFZDOBGDSU_UHFFFAOYSA_N =  2.2E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_MAHUOFZDOBGDSU_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PXY1OHNO2
! formula:  C_8H_9NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: VIQHHRZADKSPIM-UHFFFAOYSA-N
Hvpx_VIQHHRZADKSPIM_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_VIQHHRZADKSPIM_UHFFFAOYSA_N =  6.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VIQHHRZADKSPIM_UHFFFAOYSA_N =  5.5E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NIPBNZ1OOH
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IXEXRYHUTBEDFT-UHFFFAOYSA-N
Hvpx_IXEXRYHUTBEDFT_UHFFFAOYSA_N =  4.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IXEXRYHUTBEDFT_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_IXEXRYHUTBEDFT_UHFFFAOYSA_N =  4.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NMETOL1OOH
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: OTBVEKBEKVMFBF-UHFFFAOYSA-N
Hvpx_OTBVEKBEKVMFBF_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_OTBVEKBEKVMFBF_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OTBVEKBEKVMFBF_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NOETOL1OOH
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZYYASKSQLLYACE-UHFFFAOYSA-N
Hvpx_ZYYASKSQLLYACE_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZYYASKSQLLYACE_UHFFFAOYSA_N =  8.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZYYASKSQLLYACE_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPBNZ1OOH
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CVKCTJQZVRPANA-UHFFFAOYSA-N
Hvpx_CVKCTJQZVRPANA_UHFFFAOYSA_N =  4.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CVKCTJQZVRPANA_UHFFFAOYSA_N =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CVKCTJQZVRPANA_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NPETOL1OOH
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PGRGKKYGDUKVIK-UHFFFAOYSA-N
Hvpx_PGRGKKYGDUKVIK_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_PGRGKKYGDUKVIK_UHFFFAOYSA_N =  1.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PGRGKKYGDUKVIK_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NT123L1OOH
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: QUQYRHULCDEZAA-UHFFFAOYSA-N
Hvpx_QUQYRHULCDEZAA_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QUQYRHULCDEZAA_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_QUQYRHULCDEZAA_UHFFFAOYSA_N =  3.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:NT124L1OOH
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: DLQITMPSPXAOFG-UHFFFAOYSA-N
Hvpx_DLQITMPSPXAOFG_UHFFFAOYSA_N =  9.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DLQITMPSPXAOFG_UHFFFAOYSA_N =  1.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_DLQITMPSPXAOFG_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNIPBNZOL
! formula:  C_9H_{10}N_2O_5
! trivial:  
! casrn:    29385-11-3
! inchikey: HBYHYLBZPLCIEE-UHFFFAOYSA-N
Hvpx___29385_11_3 =  4.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx___29385_11_3 =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx___29385_11_3 =  3.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx___29385_11_3 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx___29385_11_3 =  8.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx___29385_11_3 =  3.5E-03                                  ! [atm] type: Q, ref: 2546

! species:  MCM:DNMETOL
! formula:  C_9H_{10}N_2O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NLLBSWNZAUXBGJ-UHFFFAOYSA-N
Hvpx_NLLBSWNZAUXBGJ_UHFFFAOYSA_N =  6.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NLLBSWNZAUXBGJ_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NLLBSWNZAUXBGJ_UHFFFAOYSA_N =  4.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNOETOL
! formula:  C_9H_{10}N_2O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AGMONASRVOHMRW-UHFFFAOYSA-N
Hvpx_AGMONASRVOHMRW_UHFFFAOYSA_N =  7.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_AGMONASRVOHMRW_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_AGMONASRVOHMRW_UHFFFAOYSA_N =  2.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNPBNZOL
! formula:  C_9H_{10}N_2O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: FCIYPWNHZQHVEQ-UHFFFAOYSA-N
Hvpx_FCIYPWNHZQHVEQ_UHFFFAOYSA_N =  5.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FCIYPWNHZQHVEQ_UHFFFAOYSA_N =  9.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FCIYPWNHZQHVEQ_UHFFFAOYSA_N =  3.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNPETOL
! formula:  C_9H_{10}N_2O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: DZWALJMRDDSGJQ-UHFFFAOYSA-N
Hvpx_DZWALJMRDDSGJQ_UHFFFAOYSA_N =  7.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DZWALJMRDDSGJQ_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_DZWALJMRDDSGJQ_UHFFFAOYSA_N =  6.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNT123BOL
! formula:  C_9H_{10}N_2O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KTYJIHPJHVSEQH-UHFFFAOYSA-N
Hvpx_KTYJIHPJHVSEQH_UHFFFAOYSA_N =  8.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_KTYJIHPJHVSEQH_UHFFFAOYSA_N =  3.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KTYJIHPJHVSEQH_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DNT124BOL
! formula:  C_9H_{10}N_2O_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: HCZZKJMHIZGVJN-UHFFFAOYSA-N
Hvpx_HCZZKJMHIZGVJN_UHFFFAOYSA_N =  1.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HCZZKJMHIZGVJN_UHFFFAOYSA_N =  3.8E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HCZZKJMHIZGVJN_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:HOEMPHNO2
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: YSPMBFYZTNTHGD-UHFFFAOYSA-N
Hvpx_YSPMBFYZTNTHGD_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_YSPMBFYZTNTHGD_UHFFFAOYSA_N =  5.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YSPMBFYZTNTHGD_UHFFFAOYSA_N =  2.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPBNZOHNO2
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RRFSVDKJKYCCEK-UHFFFAOYSA-N
Hvpx_RRFSVDKJKYCCEK_UHFFFAOYSA_N =  1.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_RRFSVDKJKYCCEK_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RRFSVDKJKYCCEK_UHFFFAOYSA_N =  8.4E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:IPNCATECH
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: MCPZUPZVJHDAPC-UHFFFAOYSA-N
Hvpx_MCPZUPZVJHDAPC_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MCPZUPZVJHDAPC_UHFFFAOYSA_N =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MCPZUPZVJHDAPC_UHFFFAOYSA_N =  3.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MET1OHNO2
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: QDGFKFKXXCXYOS-UHFFFAOYSA-N
Hvpx_QDGFKFKXXCXYOS_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_QDGFKFKXXCXYOS_UHFFFAOYSA_N =  5.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_QDGFKFKXXCXYOS_UHFFFAOYSA_N =  6.3E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MTNCATECH
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CJFAOEWQLMJWBQ-UHFFFAOYSA-N
Hvpx_CJFAOEWQLMJWBQ_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_CJFAOEWQLMJWBQ_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_CJFAOEWQLMJWBQ_UHFFFAOYSA_N =  5.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OET1OHNO2
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MEMHWZGPMLWUCR-UHFFFAOYSA-N
Hvpx_MEMHWZGPMLWUCR_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_MEMHWZGPMLWUCR_UHFFFAOYSA_N =  3.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MEMHWZGPMLWUCR_UHFFFAOYSA_N =  3.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:OTNCATECH
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: JWEUFFGZFSJOFB-UHFFFAOYSA-N
Hvpx_JWEUFFGZFSJOFB_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_JWEUFFGZFSJOFB_UHFFFAOYSA_N =  1.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_JWEUFFGZFSJOFB_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PBNZOHNO2
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: SNIBPLNVBYUZKZ-UHFFFAOYSA-N
Hvpx_SNIBPLNVBYUZKZ_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_SNIBPLNVBYUZKZ_UHFFFAOYSA_N =  6.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_SNIBPLNVBYUZKZ_UHFFFAOYSA_N =  8.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PET1OHNO2
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DXOFURYTWRHSOS-UHFFFAOYSA-N
Hvpx_DXOFURYTWRHSOS_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_DXOFURYTWRHSOS_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DXOFURYTWRHSOS_UHFFFAOYSA_N =  8.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PNCATECH
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: UWDKGIAMIWLDOZ-UHFFFAOYSA-N
Hvpx_UWDKGIAMIWLDOZ_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_UWDKGIAMIWLDOZ_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_UWDKGIAMIWLDOZ_UHFFFAOYSA_N =  3.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:PTNCATECH
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: POSTUROPYARVPT-UHFFFAOYSA-N
Hvpx_POSTUROPYARVPT_UHFFFAOYSA_N =  6.1E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_POSTUROPYARVPT_UHFFFAOYSA_N =  3.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_POSTUROPYARVPT_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:T123NCATEC
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: NRIGBHNXEXAXSY-UHFFFAOYSA-N
Hvpx_NRIGBHNXEXAXSY_UHFFFAOYSA_N =  2.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NRIGBHNXEXAXSY_UHFFFAOYSA_N =  9.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NRIGBHNXEXAXSY_UHFFFAOYSA_N =  2.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:T124NCATEC
! formula:  C_9H_{11}NO_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XNILZTOSMSXQOP-UHFFFAOYSA-N
Hvpx_XNILZTOSMSXQOP_UHFFFAOYSA_N =  8.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_XNILZTOSMSXQOP_UHFFFAOYSA_N =  1.1E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_XNILZTOSMSXQOP_UHFFFAOYSA_N =  6.3E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM123OHNO2
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GRYTUHBAWMNFLK-UHFFFAOYSA-N
Hvpx_GRYTUHBAWMNFLK_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_GRYTUHBAWMNFLK_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GRYTUHBAWMNFLK_UHFFFAOYSA_N =  1.8E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TM124OHNO2
! formula:  C_9H_{11}NO_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NKOCMNXLDSIDQC-UHFFFAOYSA-N
Hvpx_NKOCMNXLDSIDQC_UHFFFAOYSA_N =  5.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_NKOCMNXLDSIDQC_UHFFFAOYSA_N =  2.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NKOCMNXLDSIDQC_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 3409

! species:  fluoromethane
! formula:  CH_3F
! trivial:  
! casrn:    593-53-3
! inchikey: NBVXSUQYWXRMNV-UHFFFAOYSA-N
Hvpx_____593_53_3 =  8.9E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____593_53_3 =  9.0E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____593_53_3 =  8.8E+02 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____593_53_3 =  9.0E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____593_53_3 =  9.0E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____593_53_3 =  9.4E+02 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____593_53_3 =  9.4E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1340
Hvpx_____593_53_3 =  9.4E+02 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2222
Hvpx_____593_53_3 =  9.4E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____593_53_3 =  1.1E+03                                  ! [atm] type: V, ref: 479
Hvpx_____593_53_3 =  9.4E+02                                  ! [atm] type: V, ref: 642
Hvpx_____593_53_3 =  7.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____593_53_3 =  5.4E+06                                  ! [atm] type: Q, ref: 3728
Hvpx_____593_53_3 =  2.1E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____593_53_3 =  6.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____593_53_3 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____593_53_3 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____593_53_3 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____593_53_3 =  8.1E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____593_53_3 =  5.9E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____593_53_3 =  1.1E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____593_53_3 =  7.1E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____593_53_3 =  8.3E+02                                  ! [atm] type: Q, ref: 731
Hvpx_____593_53_3 =  9.4E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____593_53_3 =  2.8E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____593_53_3 =  9.2E+02                                  ! [atm] type: Q, ref: 2550
Hvpx_____593_53_3 =  7.7E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____593_53_3 =  1.2E+03                                  ! [atm] type: ?, ref: 3614
Hvpx_____593_53_3 =  7.8E+02                                  ! [atm] type: ?, ref: 789

! species:  difluoromethane
! formula:  CH_2F_2
! trivial:  R32
! casrn:    75-10-5
! inchikey: RWRIWBAIICGTTQ-UHFFFAOYSA-N
Hvpx______75_10_5 =  8.6E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3272
Hvpx______75_10_5 =  8.0E+02 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3262
Hvpx______75_10_5 =  1.8E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3261
Hvpx______75_10_5 =  7.9E+02 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx______75_10_5 =  7.9E+02 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______75_10_5 =  6.9E+02                                  ! [atm] type: Q, ref: 3728
Hvpx______75_10_5 =  3.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______75_10_5 =  6.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_10_5 =  1.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______75_10_5 =  6.3E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______75_10_5 =  6.4E+02                                  ! [atm] type: ?, ref: 789

! species:  trifluoromethane
! formula:  CHF_3
! trivial:  R23
! casrn:    75-46-7
! inchikey: XPDWGBQVDMORPB-UHFFFAOYSA-N
Hvpx______75_46_7 =  4.1E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_46_7 =  4.6E+03 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_46_7 =  4.1E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_46_7 =  4.6E+03 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_46_7 =  4.1E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_46_7 =  4.1E+03 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______75_46_7 =  2.6E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3261
Hvpx______75_46_7 =  4.3E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 921
Hvpx______75_46_7 =  4.4E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx______75_46_7 =  5.3E+03                                  ! [atm] type: V, ref: 642
Hvpx______75_46_7 =  4.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_46_7 =  5.3E+03                                  ! [atm] type: C, ref: 2550
Hvpx______75_46_7 =  4.2E+03                                  ! [atm] type: Q, ref: 3728
Hvpx______75_46_7 =  5.3E+03                                  ! [atm] type: Q, ref: 3730
Hvpx______75_46_7 =  6.2E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______75_46_7 =  4.3E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3570
Hvpx______75_46_7 =  1.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx______75_46_7 =  3.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_46_7 =  2.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_46_7 =  3.5E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______75_46_7 =  4.3E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______75_46_7 =  2.7E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______75_46_7 =  1.4E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______75_46_7 =  4.6E+03                                  ! [atm] type: Q, ref: 2482
Hvpx______75_46_7 =  5.0E+03                                  ! [atm] type: Q, ref: 2550
Hvpx______75_46_7 =  5.3E+03                                  ! [atm] type: ?, ref: 3586
Hvpx______75_46_7 =  4.2E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______75_46_7 =  4.2E+03                                  ! [atm] type: ?, ref: 789

! species:  tetrafluoromethane
! formula:  CF_4
! trivial:  carbontetrafluoride
! casrn:    75-73-0
! inchikey: TXEYQDLBPFQVAA-UHFFFAOYSA-N
Hvpx______75_73_0 =  2.6E+05 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_73_0 =  3.3E+05 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_73_0 =  2.6E+05 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_73_0 =  3.3E+05 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_73_0 =  2.6E+05 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx______75_73_0 =  2.6E+05 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_73_0 =  2.6E+05 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______75_73_0 =  2.8E+05 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______75_73_0 =  2.6E+05 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3569
Hvpx______75_73_0 =  2.6E+05 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2485
Hvpx______75_73_0 =  2.6E+05                                  ! [atm] type: M, ref: 2486
Hvpx______75_73_0 =  2.6E+05 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3601
Hvpx______75_73_0 =  2.7E+05 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2484
Hvpx______75_73_0 =  2.6E+05 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2831
Hvpx______75_73_0 =  2.8E+05 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 764
Hvpx______75_73_0 =  2.8E+05                                  ! [atm] type: V, ref: 642
Hvpx______75_73_0 =  1.7E+05                                  ! [atm] type: T, ref: 766
Hvpx______75_73_0 =  3.0E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_73_0 =  2.9E+05                                  ! [atm] type: C, ref: 2550
Hvpx______75_73_0 =  2.0E+05                                  ! [atm] type: Q, ref: 3728
Hvpx______75_73_0 =  7.9E+05                                  ! [atm] type: Q, ref: 3730
Hvpx______75_73_0 =  4.0E+04                                  ! [atm] type: Q, ref: 3586
Hvpx______75_73_0 =  2.6E+05 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3570
Hvpx______75_73_0 =  1.0E+05                                  ! [atm] type: Q, ref: 3406
Hvpx______75_73_0 =  2.6E+05                                  ! [atm] type: Q, ref: 3579
Hvpx______75_73_0 =  5.9E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______75_73_0 =  1.7E+05                                  ! [atm] type: Q, ref: 2530
Hvpx______75_73_0 =  1.9E+05                                  ! [atm] type: Q, ref: 3780
Hvpx______75_73_0 =  2.7E+05                                  ! [atm] type: Q, ref: 2535
Hvpx______75_73_0 =  5.4E+05 * EXP(    840.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2610
Hvpx______75_73_0 =  4.7E+07                                  ! [atm] type: Q, ref: 3764
Hvpx______75_73_0 =  1.0E+05                                  ! [atm] type: Q, ref: 2482
Hvpx______75_73_0 =  3.4E+05                                  ! [atm] type: Q, ref: 2550
Hvpx______75_73_0 =  2.9E+05                                  ! [atm] type: ?, ref: 3586
Hvpx______75_73_0 =  2.9E+05                                  ! [atm] type: ?, ref: 2440
Hvpx______75_73_0 =  2.6E+05 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx______75_73_0 =  3.0E+05                                  ! [atm] type: ?, ref: 789

! species:  fluoroethane
! formula:  C_2H_5F
! trivial:  
! casrn:    353-36-6
! inchikey: UHCBBWUQDAVSMS-UHFFFAOYSA-N
Hvpx_____353_36_6 =  1.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____353_36_6 =  3.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____353_36_6 =  1.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____353_36_6 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____353_36_6 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____353_36_6 =  1.1E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____353_36_6 =  1.1E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____353_36_6 =  1.7E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____353_36_6 =  1.2E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____353_36_6 =  1.1E+03                                  ! [atm] type: ?, ref: 3614
Hvpx_____353_36_6 =  1.2E+03                                  ! [atm] type: ?, ref: 789

! species:  1,1-difluoroethane
! formula:  C_2H_4F_2
! trivial:  R152a
! casrn:    75-37-6
! inchikey: NPNPZTNLOVBDOC-UHFFFAOYSA-N
Hvpx______75_37_6 =  1.1E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_37_6 =  1.1E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_37_6 =  1.1E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 921
Hvpx______75_37_6 =  1.1E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx______75_37_6 =  1.1E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______75_37_6 =  1.3E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: V, ref: 1014
Hvpx______75_37_6 =  1.1E+03                                  ! [atm] type: V, ref: 642
Hvpx______75_37_6 =  1.1E+03                                  ! [atm] type: C, ref: 2550
Hvpx______75_37_6 =  9.6E+02                                  ! [atm] type: Q, ref: 3728
Hvpx______75_37_6 =  4.6E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______75_37_6 =  4.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______75_37_6 =  3.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______75_37_6 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_37_6 =  3.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_37_6 =  2.2E+04                                  ! [atm] type: Q, ref: 2546
Hvpx______75_37_6 =  1.9E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______75_37_6 =  4.0E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______75_37_6 =  6.0E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______75_37_6 =  4.0E+03                                  ! [atm] type: Q, ref: 2482
Hvpx______75_37_6 =  1.3E+03                                  ! [atm] type: Q, ref: 2550
Hvpx______75_37_6 =  1.1E+03                                  ! [atm] type: ?, ref: 3586
Hvpx______75_37_6 =  1.4E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______75_37_6 =  1.5E+03                                  ! [atm] type: ?, ref: 789

! species:  1,2-difluoroethane
! formula:  C_2H_4F_2
! trivial:  
! casrn:    624-72-6
! inchikey: AHFMSNDOYCFEPH-UHFFFAOYSA-N
Hvpx_____624_72_6 =  2.2E+04                                  ! [atm] type: Q, ref: 3088

! species:  1,1,1,2-tetrafluoroethane
! formula:  C_2H_2F_4
! trivial:  R134a
! casrn:    811-97-2
! inchikey: LVGUZGTVOIAKKC-UHFFFAOYSA-N
Hvpx_____811_97_2 =  3.5E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____811_97_2 =  3.5E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____811_97_2 =  3.7E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3564
Hvpx_____811_97_2 =  3.3E+03 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 921
Hvpx_____811_97_2 =  3.3E+03 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx_____811_97_2 =  3.5E+03 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx_____811_97_2 =  2.9E+03 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2121
Hvpx_____811_97_2 =  3.8E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: V, ref: 1014
Hvpx_____811_97_2 =  2.2E+03                                  ! [atm] type: Q, ref: 3728
Hvpx_____811_97_2 =  3.6E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3570
Hvpx_____811_97_2 =  8.5E+04                                  ! [atm] type: Q, ref: 3088
Hvpx_____811_97_2 =  2.2E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____811_97_2 =  4.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____811_97_2 =  8.8E+04                                  ! [atm] type: Q, ref: 2546
Hvpx_____811_97_2 =  5.6E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____811_97_2 =  9.9E+03                                  ! [atm] type: Q, ref: 2530

! species:  1,1,2,2-tetrafluoroethane
! formula:  C_2H_2F_4
! trivial:  
! casrn:    359-35-3
! inchikey: WXGNWUVNYMJENI-UHFFFAOYSA-N
Hvpx_____359_35_3 =  1.9E+03                                  ! [atm] type: ?, ref: 3766

! species:  pentafluoroethane
! formula:  C_2HF_5
! trivial:  R125
! casrn:    354-33-6
! inchikey: GTLACDSXYULKMZ-UHFFFAOYSA-N
Hvpx_____354_33_6 =  1.8E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3261
Hvpx_____354_33_6 =  1.5E+04 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx_____354_33_6 =  6.8E+03 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: V, ref: 1014
Hvpx_____354_33_6 =  4.3E+03                                  ! [atm] type: Q, ref: 3728
Hvpx_____354_33_6 =  1.6E+04 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3570
Hvpx_____354_33_6 =  2.7E+03                                  ! [atm] type: Q, ref: 3088
Hvpx_____354_33_6 =  1.7E+05                                  ! [atm] type: Q, ref: 2995
Hvpx_____354_33_6 =  2.8E+04                                  ! [atm] type: Q, ref: 2995
Hvpx_____354_33_6 =  9.6E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____354_33_6 =  2.6E+04                                  ! [atm] type: Q, ref: 2995

! species:  hexafluoroethane
! formula:  C_2F_6
! trivial:  
! casrn:    76-16-4
! inchikey: WMIYKQLTONQJES-UHFFFAOYSA-N
Hvpx______76_16_4 =  8.5E+05 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2610
Hvpx______76_16_4 =  1.0E+06                                  ! [atm] type: M, ref: 2486
Hvpx______76_16_4 =  9.7E+05 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2484
Hvpx______76_16_4 =  9.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______76_16_4 =  7.7E+05                                  ! [atm] type: Q, ref: 3728
Hvpx______76_16_4 =  5.9E+05                                  ! [atm] type: Q, ref: 3730
Hvpx______76_16_4 =  2.5E+04                                  ! [atm] type: Q, ref: 3586
Hvpx______76_16_4 =  9.5E+05 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3570
Hvpx______76_16_4 =  3.7E+04                                  ! [atm] type: Q, ref: 3406
Hvpx______76_16_4 =  1.3E+06                                  ! [atm] type: Q, ref: 2995
Hvpx______76_16_4 =  5.1E+04                                  ! [atm] type: Q, ref: 2995
Hvpx______76_16_4 =  6.5E+05                                  ! [atm] type: Q, ref: 2995
Hvpx______76_16_4 =  2.8E+05                                  ! [atm] type: Q, ref: 2995
Hvpx______76_16_4 =  6.7E+05                                  ! [atm] type: Q, ref: 3579
Hvpx______76_16_4 =  4.4E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______76_16_4 =  3.0E+05                                  ! [atm] type: Q, ref: 2530
Hvpx______76_16_4 =  4.7E+05 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2610
Hvpx______76_16_4 =  1.1E+06                                  ! [atm] type: ?, ref: 3586
Hvpx______76_16_4 =  9.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx______76_16_4 =  9.4E+05                                  ! [atm] type: ?, ref: 789

! species:  1-fluoropropane
! formula:  C_3H_7F
! trivial:  
! casrn:    460-13-9
! inchikey: JRHNUZCXXOTJCA-UHFFFAOYSA-N
Hvpx_____460_13_9 =  8.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____460_13_9 =  7.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____460_13_9 =  9.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____460_13_9 =  9.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____460_13_9 =  8.7E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____460_13_9 =  1.5E+03                                  ! [atm] type: ?, ref: 3614
Hvpx_____460_13_9 =  8.9E+02                                  ! [atm] type: ?, ref: 789

! species:  2-fluoropropane
! formula:  C_3H_7F
! trivial:  
! casrn:    420-26-8
! inchikey: PRNZBCYBKGCOFI-UHFFFAOYSA-N
Hvpx_____420_26_8 =  9.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____420_26_8 =  2.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____420_26_8 =  9.1E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____420_26_8 =  2.2E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____420_26_8 =  9.2E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____420_26_8 =  1.5E+03                                  ! [atm] type: ?, ref: 3614
Hvpx_____420_26_8 =  9.4E+02                                  ! [atm] type: ?, ref: 789

! species:  1,1,1,2,2-pentafluoropropane
! formula:  C_3H_3F_5
! trivial:  
! casrn:    1814-88-6
! inchikey: FDOPVENYMZRARC-UHFFFAOYSA-N
Hvpx____1814_88_6 =  1.8E+00                                  ! [atm] type: Q, ref: 2482

! species:  1,1,1,3,3,3-hexafluoropropane
! formula:  C_3H_2F_6
! trivial:  
! casrn:    690-39-1
! inchikey: NSGXIBWMJZWTPY-UHFFFAOYSA-N
Hvpx_____690_39_1 =  4.5E+05                                  ! [atm] type: Q, ref: 2995
Hvpx_____690_39_1 =  1.4E+04                                  ! [atm] type: Q, ref: 2995
Hvpx_____690_39_1 =  3.1E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____690_39_1 =  2.0E+05                                  ! [atm] type: Q, ref: 2995

! species:  1,1,1,2,3,3,3-heptafluoropropane
! formula:  C_3HF_7
! trivial:  R227
! casrn:    431-89-0
! inchikey: YFMFNYKEUDLDTL-UHFFFAOYSA-N
Hvpx_____431_89_0 =  4.0E+04 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx_____431_89_0 =  2.5E+03                                  ! [atm] type: Q, ref: 3728
Hvpx_____431_89_0 =  8.9E+05                                  ! [atm] type: Q, ref: 3088

! species:  octafluoropropane
! formula:  C_3F_8
! trivial:  R218
! casrn:    76-19-7
! inchikey: QYSGYZVSCZSLHT-UHFFFAOYSA-N
Hvpx______76_19_7 =  4.4E+06 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2484
Hvpx______76_19_7 =  1.8E+06                                  ! [atm] type: V, ref: 3586
Hvpx______76_19_7 =  1.8E+06                                  ! [atm] type: V, ref: 3088
Hvpx______76_19_7 =  1.7E+06                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______76_19_7 =  5.2E+02                                  ! [atm] type: Q, ref: 3728
Hvpx______76_19_7 =  1.1E+04                                  ! [atm] type: Q, ref: 3586
Hvpx______76_19_7 =  1.3E+04                                  ! [atm] type: Q, ref: 3406
Hvpx______76_19_7 =  7.1E+06                                  ! [atm] type: Q, ref: 2995
Hvpx______76_19_7 =  5.4E+04                                  ! [atm] type: Q, ref: 2995
Hvpx______76_19_7 =  1.5E+06                                  ! [atm] type: Q, ref: 2995
Hvpx______76_19_7 =  1.2E+06                                  ! [atm] type: Q, ref: 2995
Hvpx______76_19_7 =  1.8E+06                                  ! [atm] type: Q, ref: 3579
Hvpx______76_19_7 =  5.0E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______76_19_7 =  1.7E+06                                  ! [atm] type: ?, ref: 2440

! species:  decafluorobutane
! formula:  C_4F_{10}
! trivial:  
! casrn:    355-25-9
! inchikey: KAVGMUDTWQVPDF-UHFFFAOYSA-N
Hvpx_____355_25_9 =  3.7E+07                                  ! [atm] type: Q, ref: 3088

! species:  octafluorocyclobutane
! formula:  C_4F_8
! trivial:  
! casrn:    115-25-3
! inchikey: BCCOBQSFUDVTJQ-UHFFFAOYSA-N
Hvpx_____115_25_3 =  4.4E+05 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2447
Hvpx_____115_25_3 =  4.3E+05 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2485
Hvpx_____115_25_3 =  4.6E+05                                  ! [atm] type: M, ref: 2486
Hvpx_____115_25_3 =  4.7E+05 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2484
Hvpx_____115_25_3 =  4.7E+05                                  ! [atm] type: V, ref: 3586
Hvpx_____115_25_3 =  2.2E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____115_25_3 =  3.5E+05                                  ! [atm] type: Q, ref: 3728
Hvpx_____115_25_3 =  1.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____115_25_3 =  5.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____115_25_3 =  4.1E+06                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_25_3 =  3.4E+05                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_25_3 =  2.5E+05                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_25_3 =  5.3E+05                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_25_3 =  2.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx_____115_25_3 =  5.9E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____115_25_3 =  2.1E+05                                  ! [atm] type: ?, ref: 2440
Hvpx_____115_25_3 =  2.1E+05                                  ! [atm] type: ?, ref: 789

! species:  1,1,1,2,2,3,4,5,5,5-decafluoropentane
! formula:  C_5H_2F_{10}
! trivial:  
! casrn:    138495-42-8
! inchikey: RIQRGMUSBYGDBL-UHFFFAOYSA-N
Hvpx__138495_42_8 =  1.2E+07                                  ! [atm] type: Q, ref: 2995
Hvpx__138495_42_8 =  1.7E+04                                  ! [atm] type: Q, ref: 2995
Hvpx__138495_42_8 =  3.0E+03                                  ! [atm] type: Q, ref: 2995
Hvpx__138495_42_8 =  6.0E+05                                  ! [atm] type: Q, ref: 2995

! species:  dodecafluoropentane
! formula:  C_5F_{12}
! trivial:  
! casrn:    678-26-2
! inchikey: NJCBUSHGCBERSK-UHFFFAOYSA-N
Hvpx_____678_26_2 =  1.2E+07                                  ! [atm] type: L, ref: 3518
Hvpx_____678_26_2 =  8.9E+04                                  ! [atm] type: Q, ref: 2521

! species:  tetradecafluorohexane
! formula:  C_6F_{14}
! trivial:  perflexane
! casrn:    355-42-0
! inchikey: ZJIJAJXFLBMLCK-UHFFFAOYSA-N
Hvpx_____355_42_0 =  5.9E+07                                  ! [atm] type: L, ref: 3518
Hvpx_____355_42_0 =  1.0E+09                                  ! [atm] type: Q, ref: 3088

! species:  fluorocyclohexane
! formula:  C_6H_{11}F
! trivial:  
! casrn:    372-46-3
! inchikey: GOBGVVAHHOUMDK-UHFFFAOYSA-N
Hvpx_____372_46_3 =  4.1E+02                                  ! [atm] type: Q, ref: 2521

! species:  1-fluoroheptane
! formula:  C_7H_{15}F
! trivial:  
! casrn:    661-11-0
! inchikey: BITLXSQYFZTQGC-UHFFFAOYSA-N
Hvpx_____661_11_0 =  2.0E+03                                  ! [atm] type: Q, ref: 2521

! species:  hexadecafluoroheptane
! formula:  C_7F_{16}
! trivial:  
! casrn:    335-57-9
! inchikey: LGUZHRODIJCVOC-UHFFFAOYSA-N
Hvpx_____335_57_9 =  1.8E+08                                  ! [atm] type: L, ref: 3518
Hvpx_____335_57_9 =  2.8E+06                                  ! [atm] type: Q, ref: 2521

! species:  1-fluorooctane
! formula:  C_8H_{17}F
! trivial:  
! casrn:    463-11-6
! inchikey: DHIVLKMGKIZOHF-UHFFFAOYSA-N
Hvpx_____463_11_6 =  3.7E+03                                  ! [atm] type: Q, ref: 2521

! species:  perfluorooctane
! formula:  C_8F_{18}
! trivial:  
! casrn:    307-34-6
! inchikey: YVBBRRALBYAZBM-UHFFFAOYSA-N
Hvpx_____307_34_6 =  6.8E+08                                  ! [atm] type: L, ref: 3518

! species:  eicosafluorononane
! formula:  C_9F_{20}
! trivial:  
! casrn:    375-96-2
! inchikey: UVWPNDVAQBNQBG-UHFFFAOYSA-N
Hvpx_____375_96_2 =  1.2E+08                                  ! [atm] type: Q, ref: 2521

! species:  perfluoroundecane
! formula:  C_{11}F_{24}
! trivial:  
! casrn:    307-49-3
! inchikey: VCIVYCHKSHULON-UHFFFAOYSA-N
Hvpx_____307_49_3 =  4.1E+12                                  ! [atm] type: Q, ref: 2995
Hvpx_____307_49_3 =  4.7E+10                                  ! [atm] type: Q, ref: 2995
Hvpx_____307_49_3 =  4.6E+08                                  ! [atm] type: Q, ref: 2995
Hvpx_____307_49_3 =  9.2E+10                                  ! [atm] type: Q, ref: 2995

! species:  1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,\+10,10-henicosafluorododecane
! formula:  C_{12}H_5F_{21}
! trivial:  perfluorodecyl ethane
! casrn:    154478-87-2
! inchikey: HUPGRQWHZOWFPQ-UHFFFAOYSA-N
Hvpx__154478_87_2 =  1.1E+09                                  ! [atm] type: Q, ref: 2994

! species:  1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane
! formula:  C_{14}H_{17}F_{13}
! trivial:  
! casrn:    133331-77-8
! inchikey: WRYIIOKOQSICTB-UHFFFAOYSA-N
Hvpx__133331_77_8 =  8.5E+05                                  ! [atm] type: Q, ref: 2994

! species:  1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoroicosane
! formula:  C_{20}H_{29}F_{13}
! trivial:  
! casrn:    154628-00-9
! inchikey: BREOHRVZEZMFOB-UHFFFAOYSA-N
Hvpx__154628_00_9 =  2.1E+06                                  ! [atm] type: Q, ref: 2994

! species:  1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodocosane
! formula:  C_{22}H_{33}F_{13}
! trivial:  
! casrn:    133310-71-1
! inchikey: ZKYMFADZZFTYJH-UHFFFAOYSA-N
Hvpx__133310_71_1 =  2.7E+06                                  ! [atm] type: Q, ref: 2994

! species:  1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetracosane
! formula:  C_{24}H_{33}F_{17}
! trivial:  
! casrn:    117146-18-6
! inchikey: FTECWCULPOFDJS-UHFFFAOYSA-N
Hvpx__117146_18_6 =  1.4E+08                                  ! [atm] type: Q, ref: 2994

! species:  1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,\+10,10-henicosafluorohexacosane
! formula:  C_{26}H_{33}F_{21}
! trivial:  
! casrn:    UNKNOWN
! inchikey: LZENXKBSJNMIKY-UHFFFAOYSA-N
Hvpx_LZENXKBSJNMIKY_UHFFFAOYSA_N =  1.7E+10                                  ! [atm] type: Q, ref: 2994

! species:  1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,\+10,10,11,11,12,12-pentacosafluorohexacosane
! formula:  C_{26}H_{29}F_{25}
! trivial:  
! casrn:    93454-73-0
! inchikey: OUASUHCMZXPMCH-UHFFFAOYSA-N
Hvpx___93454_73_0 =  3.4E+12                                  ! [atm] type: Q, ref: 2994

! species:  1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,\+10,10,11,11,12,12-pentacosafluorooctacosane
! formula:  C_{28}H_{33}F_{25}
! trivial:  
! casrn:    93454-74-1
! inchikey: CZCMNCOQMXNFTL-UHFFFAOYSA-N
Hvpx___93454_74_1 =  6.8E+12                                  ! [atm] type: Q, ref: 2994

! species:  fluoroethene
! formula:  C_2H_3F
! trivial:  vinyl fluoride
! casrn:    75-02-5
! inchikey: XUCNUKMRBVNAPB-UHFFFAOYSA-N
Hvpx______75_02_5 =  6.6E+03                                  ! [atm] type: Q, ref: 3088

! species:  1,1-difluoroethene
! formula:  C_2H_2F_2
! trivial:  
! casrn:    75-38-7
! inchikey: BQCIDUSAKPWEOX-UHFFFAOYSA-N
Hvpx______75_38_7 =  2.2E+04                                  ! [atm] type: V, ref: 3088
Hvpx______75_38_7 =  2.1E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_38_7 =  1.9E+04                                  ! [atm] type: Q, ref: 3406
Hvpx______75_38_7 =  2.0E+04                                  ! [atm] type: Q, ref: 3579
Hvpx______75_38_7 =  1.1E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______75_38_7 =  1.9E+04                                  ! [atm] type: Q, ref: 2535
Hvpx______75_38_7 =  3.5E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______75_38_7 =  2.1E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______75_38_7 =  2.2E+04                                  ! [atm] type: ?, ref: 789

! species:  trifluoroethene
! formula:  C_2HF_3
! trivial:  
! casrn:    359-11-5
! inchikey: MIZLGWKEZAPEFJ-UHFFFAOYSA-N
Hvpx_____359_11_5 =  2.4E+04                                  ! [atm] type: Q, ref: 3088

! species:  tetrafluoroethene
! formula:  C_2F_4
! trivial:  
! casrn:    116-14-3
! inchikey: BFKJFAAPBSQJPD-UHFFFAOYSA-N
Hvpx_____116_14_3 =  3.5E+04 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____116_14_3 =  3.5E+04                                  ! [atm] type: V, ref: 3088
Hvpx_____116_14_3 =  3.4E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____116_14_3 =  5.6E+04                                  ! [atm] type: C, ref: 2550
Hvpx_____116_14_3 =  4.0E+04                                  ! [atm] type: Q, ref: 3728
Hvpx_____116_14_3 =  2.0E+04                                  ! [atm] type: Q, ref: 3406
Hvpx_____116_14_3 =  3.3E+04                                  ! [atm] type: Q, ref: 3579
Hvpx_____116_14_3 =  2.9E+04                                  ! [atm] type: Q, ref: 2521
Hvpx_____116_14_3 =  1.9E+04                                  ! [atm] type: Q, ref: 3731
Hvpx_____116_14_3 =  3.4E+04                                  ! [atm] type: ?, ref: 2440
Hvpx_____116_14_3 =  3.4E+04                                  ! [atm] type: ?, ref: 789

! species:  3,3,3-trifluoropropene
! formula:  C_3H_3F_3
! trivial:  
! casrn:    677-21-4
! inchikey: FDMFUZHCIRHGRG-UHFFFAOYSA-N
Hvpx_____677_21_4 =  4.2E+04                                  ! [atm] type: Q, ref: 3088

! species:  hexafluoropropene
! formula:  C_3F_6
! trivial:  
! casrn:    116-15-4
! inchikey: HCDGVLDPFQMKDK-UHFFFAOYSA-N
Hvpx_____116_15_4 =  1.9E+05 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____116_15_4 =  8.0E+04 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx_____116_15_4 =  7.5E+04                                  ! [atm] type: Q, ref: 3728
Hvpx_____116_15_4 =  3.0E+05                                  ! [atm] type: Q, ref: 3088
Hvpx_____116_15_4 =  1.5E+04                                  ! [atm] type: Q, ref: 2521

! species:  1,1,3,3,3-pentafluoro-2-(trifluoromethyl)-1-propene
! formula:  C_4F_8
! trivial:  perfluoroisobutylene
! casrn:    382-21-8
! inchikey: DAFIBNSJXIGBQB-UHFFFAOYSA-N
Hvpx_____382_21_8 =  1.9E+06                                  ! [atm] type: Q, ref: 3088

! species:  (perfluorobutyl)ethene
! formula:  C_6H_3F_9
! trivial:  4:2 FTO
! casrn:    19430-93-4
! inchikey: GVEUEBXMTMZVSD-UHFFFAOYSA-N
Hvpx___19430_93_4 =  6.1E+06                                  ! [atm] type: Q, ref: 3088
Hvpx___19430_93_4 =  6.2E+06                                  ! [atm] type: Q, ref: 2995
Hvpx___19430_93_4 =  1.7E+05                                  ! [atm] type: Q, ref: 2995
Hvpx___19430_93_4 =  6.3E+04                                  ! [atm] type: Q, ref: 2995
Hvpx___19430_93_4 =  1.5E+06                                  ! [atm] type: Q, ref: 2995
Hvpx___19430_93_4 =  2.2E+05 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2993

! species:  ($E$)-perfluoro(4-methyl-2-pentene)
! formula:  C_6F_{12}
! trivial:  
! casrn:    3709-71-5
! inchikey: SAPOZTRFWJZUFT-OWOJBTEDSA-N
Hvpx____3709_71_5 =  8.5E+06                                  ! [atm] type: ?, ref: 3766

! species:  (perfluorohexyl)ethene
! formula:  C_8H_3F_{13}
! trivial:  6:2 FTO
! casrn:    25291-17-2
! inchikey: FYQFWFHDPNXORA-UHFFFAOYSA-N
Hvpx___25291_17_2 =  5.1E+03 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3939
Hvpx___25291_17_2 =  1.0E+06 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2993

! species:  (perfluorooctyl)ethene
! formula:  C_{10}H_3F_{17}
! trivial:  8:2 FTO
! casrn:    21652-58-4
! inchikey: NKAMGQZDVMQEJL-UHFFFAOYSA-N
Hvpx___21652_58_4 =  4.0E+06 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2993

! species:  (perfluorodecyl)ethene
! formula:  C_{12}H_3F_{21}
! trivial:  10:2 FTO
! casrn:    30389-25-4
! inchikey: UCHSAVGOZUCXHC-UHFFFAOYSA-N
Hvpx___30389_25_4 =  1.7E+07 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2993

! species:  1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,\+10,10,11,11,12,12-pentacosafluorooctacos-13-ene
! formula:  C_{28}H_{31}F_{25}
! trivial:  
! casrn:    UNKNOWN
! inchikey: LBVDHZOJOFOXJM-FOCLMDBBSA-N
Hvpx_LBVDHZOJOFOXJM_FOCLMDBBSA_N =  6.8E+09                                  ! [atm] type: Q, ref: 2994

! species:  fluorobenzene
! formula:  C_6H_5F
! trivial:  
! casrn:    462-06-6
! inchikey: PYLWMHQQBFSUBP-UHFFFAOYSA-N
Hvpx_____462_06_6 =  3.6E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____462_06_6 =  3.4E+02                                  ! [atm] type: L, ref: 479
Hvpx_____462_06_6 =  3.4E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____462_06_6 =  3.8E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx_____462_06_6 =  5.0E+02                                  ! [atm] type: M, ref: 2457
Hvpx_____462_06_6 =  3.6E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 640
Hvpx_____462_06_6 =  3.4E+02                                  ! [atm] type: V, ref: 2165
Hvpx_____462_06_6 =  3.8E+02                                  ! [atm] type: V, ref: 635
Hvpx_____462_06_6 =  3.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____462_06_6 =  3.5E+02                                  ! [atm] type: C, ref: 3135
Hvpx_____462_06_6 =  7.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____462_06_6 =  6.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____462_06_6 =  3.5E+02                                  ! [atm] type: Q, ref: 3689
Hvpx_____462_06_6 =  2.5E+02                                  ! [atm] type: Q, ref: 3689
Hvpx_____462_06_6 =  1.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____462_06_6 =  2.2E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____462_06_6 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____462_06_6 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____462_06_6 =  3.5E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____462_06_6 =  2.8E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____462_06_6 =  3.8E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____462_06_6 =  3.5E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____462_06_6 =  2.4E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____462_06_6 =  4.3E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____462_06_6 =  1.1E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____462_06_6 =  3.5E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____462_06_6 =  3.5E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____462_06_6 =  4.5E+02                                  ! [atm] type: ?, ref: 637
Hvpx_____462_06_6 =  3.5E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____462_06_6 =  3.6E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,2-difluorobenzene
! formula:  C_6H_4F_2
! trivial:  $o$-difluorobenzene
! casrn:    367-11-3
! inchikey: GOYDNIKZWGIXJT-UHFFFAOYSA-N
Hvpx_____367_11_3 =  4.1E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____367_11_3 =  4.4E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2926
Hvpx_____367_11_3 =  3.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____367_11_3 =  1.5E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____367_11_3 =  4.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____367_11_3 =  2.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____367_11_3 =  8.5E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____367_11_3 =  1.1E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____367_11_3 =  3.9E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____367_11_3 =  3.9E+02                                  ! [atm] type: ?, ref: 789

! species:  1,3-difluorobenzene
! formula:  C_6H_4F_2
! trivial:  $m$-difluorobenzene
! casrn:    372-18-9
! inchikey: UEMGWPRHOOEKTA-UHFFFAOYSA-N
Hvpx_____372_18_9 =  1.5E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____372_18_9 =  4.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____372_18_9 =  1.1E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____372_18_9 =  4.3E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____372_18_9 =  4.3E+03                                  ! [atm] type: ?, ref: 789

! species:  1,4-difluorobenzene
! formula:  C_6H_4F_2
! trivial:  $p$-difluorobenzene
! casrn:    540-36-3
! inchikey: QUGUFLJIAFISSW-UHFFFAOYSA-N
Hvpx_____540_36_3 =  3.4E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____540_36_3 =  4.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____540_36_3 =  1.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____540_36_3 =  4.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____540_36_3 =  3.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____540_36_3 =  1.6E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____540_36_3 =  5.7E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____540_36_3 =  4.2E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____540_36_3 =  4.3E+02                                  ! [atm] type: ?, ref: 789

! species:  1,2,3,5-tetrafluorobenzene
! formula:  C_6H_2F_4
! trivial:  
! casrn:    2367-82-0
! inchikey: UHHYOKRQTQBKSB-UHFFFAOYSA-N
Hvpx____2367_82_0 =  1.1E+03                                  ! [atm] type: V, ref: 3586
Hvpx____2367_82_0 =  4.5E+01                                  ! [atm] type: Q, ref: 3586
Hvpx____2367_82_0 =  1.1E+03                                  ! [atm] type: Q, ref: 2521
Hvpx____2367_82_0 =  5.8E+03                                  ! [atm] type: Q, ref: 2530

! species:  1,2,4,5-tetrafluorobenzene
! formula:  C_6H_2F_4
! trivial:  
! casrn:    327-54-8
! inchikey: SDXUIOOHCIQXRP-UHFFFAOYSA-N
Hvpx_____327_54_8 =  9.8E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____327_54_8 =  4.9E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____327_54_8 =  7.8E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____327_54_8 =  4.4E+03                                  ! [atm] type: Q, ref: 2530

! species:  pentafluorobenzene
! formula:  C_6HF_5
! trivial:  
! casrn:    363-72-4
! inchikey: WACNXHCZHTVBJM-UHFFFAOYSA-N
Hvpx_____363_72_4 =  7.3E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  hexafluorobenzene
! formula:  C_6F_6
! trivial:  
! casrn:    392-56-3
! inchikey: ZQBFAOFFOQMSGJ-UHFFFAOYSA-N
Hvpx_____392_56_3 =  1.8E+03 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____392_56_3 =  1.0E+03 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____392_56_3 =  1.9E+03                                  ! [atm] type: M, ref: 3666
Hvpx_____392_56_3 =  4.8E+03                                  ! [atm] type: Q, ref: 3666

! species:  (trifluoromethyl)-benzene
! formula:  C_6H_5CF_3
! trivial:  $\alpha$,$\alpha$,$\alpha$-trifluorotoluene; benzotrifluoride
! casrn:    98-08-8
! inchikey: GETTZEONDQJALK-UHFFFAOYSA-N
Hvpx______98_08_8 =  9.1E+02                                  ! [atm] type: V, ref: 3586
Hvpx______98_08_8 =  9.4E+02                                  ! [atm] type: V, ref: 3088
Hvpx______98_08_8 =  8.9E+02                                  ! [atm] type: V, ref: 1501
Hvpx______98_08_8 =  8.8E+02                                  ! [atm] type: V, ref: 479
Hvpx______98_08_8 =  9.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______98_08_8 =  1.6E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______98_08_8 =  1.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______98_08_8 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______98_08_8 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______98_08_8 =  2.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______98_08_8 =  9.6E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______98_08_8 =  4.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______98_08_8 =  2.0E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______98_08_8 =  8.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______98_08_8 =  8.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______98_08_8 =  2.8E+01                                  ! [atm] type: Q, ref: 984
Hvpx______98_08_8 =  9.2E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______98_08_8 =  9.0E+02                                  ! [atm] type: ?, ref: 789

! species:  decafluorobiphenyl
! formula:  C_{10}F_{10}
! trivial:  
! casrn:    434-90-2
! inchikey: ONUFSRWQCKNVSL-UHFFFAOYSA-N
Hvpx_____434_90_2 =  8.1E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  carbonyl fluoride
! formula:  COF_2
! trivial:  
! casrn:    353-50-4
! inchikey: IYRWEQXVUNLMAY-UHFFFAOYSA-N
Hvpx_____353_50_4 =  1.6E+00                                  ! [atm] type: M, ref: 671
Hvpx_____353_50_4 =  5.5E+01                                  ! [atm] type: M, ref: 1125
Hvpx_____353_50_4 =  2.8E+00                                  ! [atm] type: X, ref: george93

! species:  formyl fluoride
! formula:  FCHO
! trivial:  
! casrn:    1493-02-3
! inchikey: NHGVZTMBVDFPHJ-UHFFFAOYSA-N
Hvpx____1493_02_3 =  1.8E+01                                  ! [atm] type: E, ref: 498

! species:  2-fluoroethanol
! formula:  C_2H_5FO
! trivial:  
! casrn:    371-62-0
! inchikey: GGDYAKVUZMZKRV-UHFFFAOYSA-N
Hvpx_____371_62_0 =  1.2E+00                                  ! [atm] type: L, ref: 3500
Hvpx_____371_62_0 =  1.2E+00                                  ! [atm] type: L, ref: 3245
Hvpx_____371_62_0 =  1.2E+00                                  ! [atm] type: M, ref: 3526
Hvpx_____371_62_0 =  1.0E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____371_62_0 =  2.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____371_62_0 =  3.9E-01                                  ! [atm] type: Q, ref: 3088
Hvpx_____371_62_0 =  2.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____371_62_0 =  9.7E-02                                  ! [atm] type: Q, ref: 2530

! species:  2,2-difluoroethanol
! formula:  C_2H_4F_2O
! trivial:  
! casrn:    359-13-7
! inchikey: VOGSDFLJZPNWHY-UHFFFAOYSA-N
Hvpx_____359_13_7 =  5.9E-01                                  ! [atm] type: L, ref: 3500
Hvpx_____359_13_7 =  5.9E-01                                  ! [atm] type: L, ref: 3245
Hvpx_____359_13_7 =  5.9E-01                                  ! [atm] type: M, ref: 3526

! species:  2,2,2-trifluoroethanol
! formula:  CF_3CH_2OH
! trivial:  
! casrn:    75-89-8
! inchikey: RHQDFWAXVIIEBN-UHFFFAOYSA-N
Hvpx______75_89_8 =  1.2E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_89_8 =  1.2E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_89_8 =  1.2E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_89_8 =  1.2E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2808
Hvpx______75_89_8 =  1.3E+00                                  ! [atm] type: M, ref: 3402
Hvpx______75_89_8 =  9.4E-01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 727
Hvpx______75_89_8 =  1.6E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______75_89_8 =  6.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______75_89_8 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_89_8 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_89_8 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_89_8 =  1.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______75_89_8 =  2.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______75_89_8 =  1.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______75_89_8 =  1.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______75_89_8 =  8.9E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______75_89_8 =  1.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______75_89_8 =  7.1E-01                                  ! [atm] type: Q, ref: 3780
Hvpx______75_89_8 =  8.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______75_89_8 =  8.0E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______75_89_8 =  3.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______75_89_8 =  1.1E+00                                  ! [atm] type: Q, ref: 2482
Hvpx______75_89_8 =  9.6E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______75_89_8 =  9.6E-01                                  ! [atm] type: ?, ref: 1500

! species:  1,1,1-trifluoro-2-propanol
! formula:  CF_3CHOHCH_3
! trivial:  
! casrn:    374-01-6
! inchikey: GILIYJDBJZWGBG-UHFFFAOYSA-N
Hvpx_____374_01_6 =  4.3E+00                                  ! [atm] type: M, ref: 3402
Hvpx_____374_01_6 =  1.2E+00 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 727
Hvpx_____374_01_6 =  1.2E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____374_01_6 =  5.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____374_01_6 =  1.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____374_01_6 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____374_01_6 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____374_01_6 =  2.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____374_01_6 =  1.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____374_01_6 =  1.1E+00                                  ! [atm] type: Q, ref: 2482
Hvpx_____374_01_6 =  1.2E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2,3,3-tetrafluoro-1-propanol
! formula:  CHF_2CF_2CH_2OH
! trivial:  
! casrn:    76-37-9
! inchikey: NBUKAOOFKZFCGD-UHFFFAOYSA-N
Hvpx______76_37_9 =  3.9E-01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______76_37_9 =  3.9E-01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______76_37_9 =  3.9E-01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______76_37_9 =  3.9E-01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2808
Hvpx______76_37_9 =  7.3E-01                                  ! [atm] type: M, ref: 3402
Hvpx______76_37_9 =  3.5E-01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 727
Hvpx______76_37_9 =  1.2E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______76_37_9 =  6.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______76_37_9 =  4.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______76_37_9 =  1.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______76_37_9 =  4.4E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______76_37_9 =  9.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______76_37_9 =  5.2E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______76_37_9 =  1.5E+00                                  ! [atm] type: Q, ref: 2482
Hvpx______76_37_9 =  3.5E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,2,3,3,3-pentafluoro-1-propanol
! formula:  CF_3CF_2CH_2OH
! trivial:  
! casrn:    422-05-9
! inchikey: PSQZJKGXDGNDFP-UHFFFAOYSA-N
Hvpx_____422_05_9 =  3.8E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____422_05_9 =  3.8E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____422_05_9 =  3.8E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____422_05_9 =  3.8E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2808
Hvpx_____422_05_9 =  7.9E+00                                  ! [atm] type: M, ref: 3402
Hvpx_____422_05_9 =  1.2E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 727
Hvpx_____422_05_9 =  1.2E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____422_05_9 =  3.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____422_05_9 =  2.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____422_05_9 =  2.2E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____422_05_9 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____422_05_9 =  2.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____422_05_9 =  1.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____422_05_9 =  1.2E+00                                  ! [atm] type: ?, ref: 3586

! species:  1,1,1,3,3,3-hexafluoro-2-propanol
! formula:  CF_3CHOHCF_3
! trivial:  
! casrn:    920-66-1
! inchikey: BYEAHWXPCBROCE-UHFFFAOYSA-N
Hvpx_____920_66_1 =  5.4E+00                                  ! [atm] type: M, ref: 3402
Hvpx_____920_66_1 =  2.3E+00 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 727
Hvpx_____920_66_1 =  1.2E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____920_66_1 =  2.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____920_66_1 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____920_66_1 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____920_66_1 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____920_66_1 =  2.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____920_66_1 =  2.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____920_66_1 =  2.3E+00                                  ! [atm] type: Q, ref: 3780
Hvpx_____920_66_1 =  2.4E+00                                  ! [atm] type: Q, ref: 2482
Hvpx_____920_66_1 =  2.4E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____920_66_1 =  2.4E+00                                  ! [atm] type: ?, ref: 1500

! species:  trifluoroacetylfluoride
! formula:  CF_3COF
! trivial:  
! casrn:    354-34-7
! inchikey: DCEPGADSNJKOJK-UHFFFAOYSA-N
Hvpx_____354_34_7 =  1.8E+01                                  ! [atm] type: M, ref: 671
Hvpx_____354_34_7 =  5.8E+01                                  ! [atm] type: M, ref: 1125
Hvpx_____354_34_7 =  1.8E+01                                  ! [atm] type: M, ref: 1127
Hvpx_____354_34_7 =  4.6E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____354_34_7 =  1.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____354_34_7 =  1.8E+01                                  ! [atm] type: ?, ref: 3586

! species:  1-fluoro-2-propanone
! formula:  CH_2FCOCH_3
! trivial:  fluoroacetone
! casrn:    430-51-3
! inchikey: MSWVMWGCNZQPIA-UHFFFAOYSA-N
Hvpx_____430_51_3 =  1.2E+00                                  ! [atm] type: L, ref: 3500
Hvpx_____430_51_3 =  1.2E+00                                  ! [atm] type: L, ref: 3245
Hvpx_____430_51_3 =  1.2E+00                                  ! [atm] type: M, ref: 3526

! species:  1,1,1-trifluoro-2-propanone
! formula:  CF_3COCH_3
! trivial:  1,1,1-trifluoroacetone
! casrn:    421-50-1
! inchikey: FHUDAMLDXFJHJE-UHFFFAOYSA-N
Hvpx_____421_50_1 =  4.0E-01 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____421_50_1 =  4.0E-01 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____421_50_1 =  4.0E-01 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____421_50_1 =  4.0E-01 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: M, ref: 495
Hvpx_____421_50_1 =  4.0E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____421_50_1 =  3.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____421_50_1 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____421_50_1 =  5.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx_____421_50_1 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____421_50_1 =  1.3E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____421_50_1 =  4.3E-01                                  ! [atm] type: ?, ref: 3586

! species:  1,1-difluoro-2-methoxyethane
! formula:  C_3H_6F_2O
! trivial:  
! casrn:    461-57-4
! inchikey: CRGZRXUKXVTRNO-UHFFFAOYSA-N
Hvpx_____461_57_4 =  4.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____461_57_4 =  2.4E+01                                  ! [atm] type: Q, ref: 3586

! species:  fluoroethanoic acid
! formula:  CH_2FCOOH
! trivial:  fluoroacetic acid
! casrn:    144-49-0
! inchikey: QEWYKACRFQMRMB-UHFFFAOYSA-N
Hvpx_____144_49_0 =  6.8E-04                                  ! [atm] type: L, ref: 3500
Hvpx_____144_49_0 =  6.8E-04                                  ! [atm] type: L, ref: 3245
Hvpx_____144_49_0 =  6.8E-04                                  ! [atm] type: L, ref: 2626
Hvpx_____144_49_0 =  6.9E-04                                  ! [atm] type: M, ref: 896
Hvpx_____144_49_0 =  9.8E-04                                  ! [atm] type: Q, ref: 3730
Hvpx_____144_49_0 =  8.2E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____144_49_0 =  8.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____144_49_0 =  5.5E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____144_49_0 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____144_49_0 =  1.0E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____144_49_0 =  6.9E-04                                  ! [atm] type: ?, ref: 3586

! species:  difluoroethanoic acid
! formula:  CHF_2COOH
! trivial:  difluoroacetic acid
! casrn:    381-73-7
! inchikey: PBWZKZYHONABLN-UHFFFAOYSA-N
Hvpx_____381_73_7 =  1.8E-03 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____381_73_7 =  1.8E-03 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____381_73_7 =  1.8E-03 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____381_73_7 =  1.8E-03 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 896
Hvpx_____381_73_7 =  9.8E-04                                  ! [atm] type: Q, ref: 3730
Hvpx_____381_73_7 =  6.4E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____381_73_7 =  1.1E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____381_73_7 =  5.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx_____381_73_7 =  1.1E-01                                  ! [atm] type: Q, ref: 2546
Hvpx_____381_73_7 =  7.6E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____381_73_7 =  1.8E-03                                  ! [atm] type: ?, ref: 3586

! species:  trifluoroethanoic acid
! formula:  CF_3COOH
! trivial:  trifluoroacetic acid
! casrn:    76-05-1
! inchikey: DTQVDTLACAAQTR-UHFFFAOYSA-N
Hvpx______76_05_1 =  9.6E-03 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______76_05_1 =  9.6E-03 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______76_05_1 =  6.1E-03 * EXP(  -9300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______76_05_1 =  9.6E-03 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2406
Hvpx______76_05_1 =  6.6E-03                                  ! [atm] type: M, ref: 3940
Hvpx______76_05_1 =  6.2E-03 * EXP(  -9300.*(1./T-1./298.15)) ! [atm] type: M, ref: 619
Hvpx______76_05_1 =  9.8E-04                                  ! [atm] type: Q, ref: 3730
Hvpx______76_05_1 =  2.4E-01                                  ! [atm] type: Q, ref: 3939
Hvpx______76_05_1 =  2.9E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______76_05_1 =  8.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______76_05_1 =  3.5E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______76_05_1 =  2.2E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______76_05_1 =  2.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______76_05_1 =  3.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______76_05_1 =  6.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______76_05_1 =  1.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______76_05_1 =  1.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______76_05_1 =  8.7E-03                                  ! [atm] type: Q, ref: 2530
Hvpx______76_05_1 =  6.1E-03                                  ! [atm] type: ?, ref: 3586

! species:  perfluoropropanoic acid
! formula:  C_3HF_5O_2
! trivial:  
! casrn:    422-64-0
! inchikey: LRMSQVBRUNSOJL-UHFFFAOYSA-N
Hvpx_____422_64_0 =  6.2E-02                                  ! [atm] type: M, ref: 3940
Hvpx_____422_64_0 =  1.3E+00                                  ! [atm] type: Q, ref: 3939

! species:  perfluorobutanoic acid
! formula:  C_4HF_7O_2
! trivial:  
! casrn:    375-22-4
! inchikey: YPJUNDFVDDCYIH-UHFFFAOYSA-N
Hvpx_____375_22_4 =  6.8E-01                                  ! [atm] type: M, ref: 3940
Hvpx_____375_22_4 =  6.6E+00                                  ! [atm] type: Q, ref: 3939
Hvpx_____375_22_4 =  6.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____375_22_4 =  7.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____375_22_4 =  2.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____375_22_4 =  8.5E-01                                  ! [atm] type: Q, ref: 2995

! species:  perfluoropentanoic acid
! formula:  C_5HF_9O_2
! trivial:  
! casrn:    2706-90-3
! inchikey: CXZGQIAOTKWCDB-UHFFFAOYSA-N
Hvpx____2706_90_3 =  8.2E-01                                  ! [atm] type: M, ref: 3940
Hvpx____2706_90_3 =  3.5E+01                                  ! [atm] type: Q, ref: 3939

! species:  perfluorohexanoic acid
! formula:  C_6HF_{11}O_2
! trivial:  
! casrn:    307-24-4
! inchikey: PXUULQAPEKKVAH-UHFFFAOYSA-N
Hvpx_____307_24_4 =  5.1E-01                                  ! [atm] type: M, ref: 3940
Hvpx_____307_24_4 =  1.8E+02                                  ! [atm] type: Q, ref: 3939
Hvpx_____307_24_4 =  1.2E+00                                  ! [atm] type: Q, ref: 2992
Hvpx_____307_24_4 =  4.5E+00                                  ! [atm] type: Q, ref: 2992

! species:  perfluoroheptanoic acid
! formula:  C_7HF_{13}O_2
! trivial:  
! casrn:    375-85-9
! inchikey: ZWBAMYVPMDSJGQ-UHFFFAOYSA-N
Hvpx_____375_85_9 =  3.1E-01                                  ! [atm] type: M, ref: 3940
Hvpx_____375_85_9 =  9.4E+02                                  ! [atm] type: Q, ref: 3939
Hvpx_____375_85_9 =  9.6E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____375_85_9 =  1.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____375_85_9 =  2.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____375_85_9 =  9.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____375_85_9 =  3.0E+00                                  ! [atm] type: Q, ref: 2992
Hvpx_____375_85_9 =  9.6E+00                                  ! [atm] type: Q, ref: 2992

! species:  pentadecafluorooctanoic acid
! formula:  C_8HF_{15}O_2
! trivial:  perfluorooctanoic acid; PFOA
! casrn:    335-67-1
! inchikey: SNGREZUHAYWORS-UHFFFAOYSA-N
Hvpx_____335_67_1 =  1.1E+01                                  ! [atm] type: M, ref: 2816
Hvpx_____335_67_1 =  1.4E+00                                  ! [atm] type: M, ref: 2566
Hvpx_____335_67_1 =  2.0E-01                                  ! [atm] type: M, ref: 3940
Hvpx_____335_67_1 =  5.0E+03                                  ! [atm] type: Q, ref: 3939
Hvpx_____335_67_1 =  5.0E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____335_67_1 =  5.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____335_67_1 =  4.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____335_67_1 =  4.9E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____335_67_1 =  5.0E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____335_67_1 =  5.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____335_67_1 =  2.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____335_67_1 =  4.9E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____335_67_1 =  5.8E+00                                  ! [atm] type: Q, ref: 2992
Hvpx_____335_67_1 =  2.8E+01                                  ! [atm] type: Q, ref: 2992

! species:  perfluorononanoic acid
! formula:  C_9HF_{17}O_2
! trivial:  
! casrn:    375-95-1
! inchikey: UZUFPBIDKMEQEQ-UHFFFAOYSA-N
Hvpx_____375_95_1 =  1.3E+01                                  ! [atm] type: Q, ref: 2992
Hvpx_____375_95_1 =  1.0E+02                                  ! [atm] type: Q, ref: 2992

! species:  2H,2H-perfluorodecanoic acid
! formula:  C_{10}H_3F_{17}O_2
! trivial:  8:2 FTCA
! casrn:    27854-31-5
! inchikey: XTBXSCIWOVSSGB-UHFFFAOYSA-N
Hvpx___27854_31_5 =  9.3E+02                                  ! [atm] type: M, ref: 3939

! species:  perfluorodecanoic acid
! formula:  C_{10}HF_{19}O_2
! trivial:  
! casrn:    335-76-2
! inchikey: PCIUEQPBYFRTEM-UHFFFAOYSA-N
Hvpx_____335_76_2 =  2.2E+01                                  ! [atm] type: Q, ref: 2992
Hvpx_____335_76_2 =  4.8E+02                                  ! [atm] type: Q, ref: 2992

! species:  perfluoroundecanoic acid
! formula:  C_{11}HF_{21}O_2
! trivial:  
! casrn:    2058-94-8
! inchikey: SIDINRCMMRKXGQ-UHFFFAOYSA-N
Hvpx____2058_94_8 =  4.1E+01                                  ! [atm] type: Q, ref: 2992
Hvpx____2058_94_8 =  2.9E+03                                  ! [atm] type: Q, ref: 2992

! species:  perfluorododecanoic acid
! formula:  C_{12}HF_{23}O_2
! trivial:  
! casrn:    307-55-1
! inchikey: CXGONMQFMIYUJR-UHFFFAOYSA-N
Hvpx_____307_55_1 =  8.5E+01                                  ! [atm] type: E, ref: 2991

! species:  perfluorotetradecanoic acid
! formula:  C_{14}HF_{27}O_2
! trivial:  
! casrn:    376-06-7
! inchikey: RUDINRUXCKIXAJ-UHFFFAOYSA-N
Hvpx_____376_06_7 =  3.4E+02                                  ! [atm] type: E, ref: 2991

! species:  1,1,1,3,3,3-hexafluoro-2-propanone
! formula:  C_3F_6O
! trivial:  
! casrn:    684-16-2
! inchikey: VBZWSGALLODQNC-UHFFFAOYSA-N
Hvpx_____684_16_2 =  1.7E+02                                  ! [atm] type: Q, ref: 3088

! species:  desflurane
! formula:  C_3H_2F_6O
! trivial:  
! casrn:    57041-67-5
! inchikey: DPYMFVXJLLWWEU-UHFFFAOYSA-N
Hvpx___57041_67_5 =  3.9E+03                                  ! [atm] type: Q, ref: 3088
Hvpx___57041_67_5 =  6.0E+03                                  ! [atm] type: ?, ref: 3614

! species:  sevoflurane
! formula:  C_4H_3F_7O
! trivial:  
! casrn:    28523-86-6
! inchikey: DFEYYRMXOJXZRJ-UHFFFAOYSA-N
Hvpx___28523_86_6 =  1.1E+04                                  ! [atm] type: Q, ref: 3088
Hvpx___28523_86_6 =  3.7E+03                                  ! [atm] type: ?, ref: 3614

! species:  ethyl 2,2,2-trifluoroethyl ether
! formula:  C_4H_7F_3O
! trivial:  
! casrn:    461-24-5
! inchikey: ZKNHDJMXIUOHLX-UHFFFAOYSA-N
Hvpx_____461_24_5 =  7.6E+02                                  ! [atm] type: Q, ref: 2521

! species:  iso-indoklon
! formula:  C_4H_4F_6O
! trivial:  1,1,1,3,3,3-hexafluoro-2-methoxypropane
! casrn:    13171-18-1
! inchikey: VNXYDFNVQBICRO-UHFFFAOYSA-N
Hvpx___13171_18_1 =  9.8E+03                                  ! [atm] type: ?, ref: 3614

! species:  di(2,2,2-trifluoroethyl) ether
! formula:  C_4H_4F_6O
! trivial:  flurothyl
! casrn:    333-36-8
! inchikey: KGPPDNUWZNWPSI-UHFFFAOYSA-N
Hvpx_____333_36_8 =  5.9E+01 * EXP(    390.*(1./T-1./298.15)) ! [atm] type: V, ref: 3693
Hvpx_____333_36_8 =  1.8E+03                                  ! [atm] type: ?, ref: 3614

! species:  (2,2,2-trifluoroethoxy)-ethene
! formula:  CF_3CH_2OCHCH_2
! trivial:  fluoroxene; fluroxene
! casrn:    406-90-6
! inchikey: DLEGDLSLRSOURQ-UHFFFAOYSA-N
Hvpx_____406_90_6 =  1.0E+03 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____406_90_6 =  1.7E+03                                  ! [atm] type: L, ref: 2441
Hvpx_____406_90_6 =  9.9E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx_____406_90_6 =  1.0E+03 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2445
Hvpx_____406_90_6 =  1.7E+03                                  ! [atm] type: M, ref: 2467
Hvpx_____406_90_6 =  1.7E+03                                  ! [atm] type: M, ref: 2446
Hvpx_____406_90_6 =  5.8E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____406_90_6 =  1.5E+03                                  ! [atm] type: ?, ref: 3614
Hvpx_____406_90_6 =  1.1E+03                                  ! [atm] type: ?, ref: 1500

! species:  2,2,2-trifluoroethyl methanoate
! formula:  HCOOCH_2CF_3
! trivial:  
! casrn:    32042-38-9
! inchikey: CAFROQYMUICGNO-UHFFFAOYSA-N
Hvpx___32042_38_9 =  1.0E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx___32042_38_9 =  1.0E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx___32042_38_9 =  1.0E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx___32042_38_9 =  1.0E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2802

! species:  2,2,2-trifluoroethyl ethanoate
! formula:  CH_3COOCH_2CF_3
! trivial:  
! casrn:    406-95-1
! inchikey: ZOWSJJBOQDKOHI-UHFFFAOYSA-N
Hvpx_____406_95_1 =  9.9E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____406_95_1 =  9.9E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____406_95_1 =  9.9E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____406_95_1 =  9.5E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2803

! species:  trifluoroethanoic acid, methyl ester
! formula:  CF_3COOCH_3
! trivial:  methyl trifluoroacetate
! casrn:    431-47-0
! inchikey: VMVNZNXAVJHNDJ-UHFFFAOYSA-N
Hvpx_____431_47_0 =  5.0E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____431_47_0 =  5.0E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____431_47_0 =  5.0E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____431_47_0 =  4.6E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2803

! species:  trifluoroethanoic acid, ethyl ester
! formula:  CF_3COOC_2H_5
! trivial:  ethyl trifluoroacetate
! casrn:    383-63-1
! inchikey: STSCVKRWJPWALQ-UHFFFAOYSA-N
Hvpx_____383_63_1 =  6.1E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____383_63_1 =  6.1E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____383_63_1 =  6.1E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____383_63_1 =  7.7E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3507
Hvpx_____383_63_1 =  6.1E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2802

! species:  trifluoro(trifluoromethyl)-oxirane
! formula:  C_3F_6O
! trivial:  
! casrn:    428-59-1
! inchikey: PGFXOWRDDHCDTE-UHFFFAOYSA-N
Hvpx_____428_59_1 =  5.9E+04 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: C, ref: 2447

! species:  3,3,4,4,4-pentafluorobutan-1-ol
! formula:  C_4H_5OF_5
! trivial:  
! casrn:    54949-74-5
! inchikey: JPMHUDBOKDBBLG-UHFFFAOYSA-N
Hvpx___54949_74_5 =  1.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___54949_74_5 =  1.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___54949_74_5 =  1.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___54949_74_5 =  3.7E+02                                  ! [atm] type: Q, ref: 2995

! species:  1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol
! formula:  C_4H_4F_6O
! trivial:  
! casrn:    1515-14-6
! inchikey: FQDXJYBXPOMIBX-UHFFFAOYSA-N
Hvpx____1515_14_6 =  3.0E+01                                  ! [atm] type: M, ref: 3402

! species:  2,2,3,4,4,4-hexafluoro-1-butanol
! formula:  C_4H_4F_6O
! trivial:  
! casrn:    382-31-0
! inchikey: LVFXLZRISXUAIL-UHFFFAOYSA-N
Hvpx_____382_31_0 =  1.7E+00                                  ! [atm] type: M, ref: 3402

! species:  2,2,3,3,4,4,4-heptafluoro-1-butanol
! formula:  C_4H_3F_7O
! trivial:  
! casrn:    375-01-9
! inchikey: WXJFKAZDSQLPBX-UHFFFAOYSA-N
Hvpx_____375_01_9 =  2.6E+01                                  ! [atm] type: M, ref: 3402

! species:  3,3,4,4,5,5,5-heptafluoro-2-pentanol
! formula:  C_5H_5F_7O
! trivial:  
! casrn:    375-14-4
! inchikey: RBPHBIMHZSTIDT-UHFFFAOYSA-N
Hvpx_____375_14_4 =  6.1E+01                                  ! [atm] type: M, ref: 3402

! species:  2,2,3,3,4,4,5,5-octafluoro-1-pentanol
! formula:  C_5H_4F_8O
! trivial:  
! casrn:    355-80-6
! inchikey: JUGSKHLZINSXPQ-UHFFFAOYSA-N
Hvpx_____355_80_6 =  2.2E+00                                  ! [atm] type: M, ref: 3402

! species:  1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane
! formula:  C_5H_3F_9O
! trivial:  
! casrn:    163702-07-6
! inchikey: OKIYQFLILPKULA-UHFFFAOYSA-N
Hvpx__163702_07_6 =  5.5E+04                                  ! [atm] type: Q, ref: 2995
Hvpx__163702_07_6 =  4.2E+04                                  ! [atm] type: Q, ref: 2995
Hvpx__163702_07_6 =  6.5E+04                                  ! [atm] type: Q, ref: 2995
Hvpx__163702_07_6 =  1.4E+05                                  ! [atm] type: Q, ref: 2995

! species:  1-ethoxy-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
! formula:  C_6H_5F_9O
! trivial:  
! casrn:    163702-06-5
! inchikey: SQEGLLMNIBLLNQ-UHFFFAOYSA-N
Hvpx__163702_06_5 =  7.3E+04                                  ! [atm] type: Q, ref: 2995
Hvpx__163702_06_5 =  1.2E+04                                  ! [atm] type: Q, ref: 2995
Hvpx__163702_06_5 =  6.8E+04                                  ! [atm] type: Q, ref: 2995
Hvpx__163702_06_5 =  1.7E+05                                  ! [atm] type: Q, ref: 2995

! species:  1H,1H,2H,2H-perfluorohexan-1-ol
! formula:  C_6H_5F_9O
! trivial:  4:2 FTOH
! casrn:    2043-47-2
! inchikey: JCMNMOBHVPONLD-UHFFFAOYSA-N
Hvpx____2043_47_2 =  4.2E+02                                  ! [atm] type: M, ref: 3939
Hvpx____2043_47_2 =  8.3E+01 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3013
Hvpx____2043_47_2 =  4.1E+01                                  ! [atm] type: M, ref: 2993
Hvpx____2043_47_2 =  9.0E+03 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2996
Hvpx____2043_47_2 =  9.7E-01                                  ! [atm] type: V, ref: 3013
Hvpx____2043_47_2 =  3.0E+02                                  ! [atm] type: Q, ref: 3939
Hvpx____2043_47_2 =  3.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____2043_47_2 =  4.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____2043_47_2 =  6.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____2043_47_2 =  2.3E+03                                  ! [atm] type: Q, ref: 2995
Hvpx____2043_47_2 =  1.3E+03                                  ! [atm] type: Q, ref: 2992
Hvpx____2043_47_2 =  1.8E+04                                  ! [atm] type: Q, ref: 2992
Hvpx____2043_47_2 =  7.6E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2993

! species:  2,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexanol
! formula:  C_6H_3F_{11}O
! trivial:  
! casrn:    423-46-1
! inchikey: QZFZPVVDBGXQTB-UHFFFAOYSA-N
Hvpx_____423_46_1 =  3.2E+02                                  ! [atm] type: M, ref: 3402

! species:  1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
! formula:  C_6H_5F_9O
! trivial:  
! casrn:    163702-05-4
! inchikey: DFUYAWQUODQGFF-UHFFFAOYSA-N
Hvpx__163702_05_4 =  7.3E+04                                  ! [atm] type: Q, ref: 2995
Hvpx__163702_05_4 =  4.4E+04                                  ! [atm] type: Q, ref: 2995
Hvpx__163702_05_4 =  7.3E+04                                  ! [atm] type: Q, ref: 2995
Hvpx__163702_05_4 =  1.8E+05                                  ! [atm] type: Q, ref: 2995

! species:  2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol
! formula:  C_7H_4F_{12}O
! trivial:  
! casrn:    335-99-9
! inchikey: BYKNGMLDSIEFFG-UHFFFAOYSA-N
Hvpx_____335_99_9 =  8.5E+00                                  ! [atm] type: M, ref: 3402

! species:  2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-heptanol
! formula:  C_7H_3F_{13}O
! trivial:  
! casrn:    375-82-6
! inchikey: STLNAVFVCIRZLL-UHFFFAOYSA-N
Hvpx_____375_82_6 =  9.1E+02                                  ! [atm] type: M, ref: 3402

! species:  1H,1H,2H,2H-perfluoro-1-octanol
! formula:  C_8H_5F_{13}O
! trivial:  6:2 FTOH
! casrn:    647-42-7
! inchikey: GRJRKPMIRMSBNK-UHFFFAOYSA-N
Hvpx_____647_42_7 =  1.6E+03 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3939
Hvpx_____647_42_7 =  3.1E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3013
Hvpx_____647_42_7 =  3.7E+02                                  ! [atm] type: M, ref: 2993
Hvpx_____647_42_7 =  6.4E+03 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2996
Hvpx_____647_42_7 =  5.8E+02                                  ! [atm] type: M, ref: 3402
Hvpx_____647_42_7 =  1.4E+00                                  ! [atm] type: V, ref: 3013
Hvpx_____647_42_7 =  8.3E+03                                  ! [atm] type: Q, ref: 3939
Hvpx_____647_42_7 =  8.3E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____647_42_7 =  5.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____647_42_7 =  1.6E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____647_42_7 =  5.5E+04                                  ! [atm] type: Q, ref: 2995
Hvpx_____647_42_7 =  2.0E+03                                  ! [atm] type: Q, ref: 2992
Hvpx_____647_42_7 =  3.1E+04                                  ! [atm] type: Q, ref: 2992
Hvpx_____647_42_7 =  3.0E+02 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2993

! species:  2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-octanol
! formula:  C_8H_3F_{15}O
! trivial:  
! casrn:    307-30-2
! inchikey: PJDOLCGOTSNFJM-UHFFFAOYSA-N
Hvpx_____307_30_2 =  2.3E+03                                  ! [atm] type: M, ref: 3402

! species:  3-ethoxyperfluoro(2-methylhexane)
! formula:  C_9H_5F_{15}O
! trivial:  
! casrn:    297730-93-9
! inchikey: HHBBIOLEJRWIGU-UHFFFAOYSA-N
Hvpx__297730_93_9 =  2.9E+07                                  ! [atm] type: ?, ref: 3766

! species:  methyl perfluoro(8-(fluoroformyl)-5-methyl-4,7-dioxanonanoate)
! formula:  C_{10}H_3F_{15}O_5
! trivial:  
! casrn:    69116-73-0
! inchikey: JOMJXRTUQWIHQD-UHFFFAOYSA-N
Hvpx___69116_73_0 =  9.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___69116_73_0 =  1.1E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___69116_73_0 =  2.1E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___69116_73_0 =  4.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  3,3,4,4,5,5,6,6,6-nonafluorohexyl methacrylate
! formula:  C_{10}H_9F_9O_2
! trivial:  
! casrn:    1799-84-4
! inchikey: TYNRPOFACABVSI-UHFFFAOYSA-N
Hvpx____1799_84_4 =  1.6E+04                                  ! [atm] type: Q, ref: 2995
Hvpx____1799_84_4 =  3.4E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____1799_84_4 =  8.3E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____1799_84_4 =  1.6E+04                                  ! [atm] type: Q, ref: 2995

! species:  1H,1H,2H,2H-perfluorodecan-1-ol
! formula:  C_{10}H_5F_{17}O
! trivial:  8:2 FTOH
! casrn:    678-39-7
! inchikey: JJUBFBTUBACDHW-UHFFFAOYSA-N
Hvpx_____678_39_7 =  2.7E+03                                  ! [atm] type: M, ref: 3939
Hvpx_____678_39_7 =  2.8E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3013
Hvpx_____678_39_7 =  3.2E+03 * EXP(  -8800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2996
Hvpx_____678_39_7 =  2.2E+00                                  ! [atm] type: V, ref: 3013
Hvpx_____678_39_7 =  5.1E+03                                  ! [atm] type: V, ref: 2993
Hvpx_____678_39_7 =  2.3E+05                                  ! [atm] type: Q, ref: 3939
Hvpx_____678_39_7 =  2.3E+05                                  ! [atm] type: Q, ref: 2995
Hvpx_____678_39_7 =  2.1E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____678_39_7 =  7.4E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____678_39_7 =  1.3E+06                                  ! [atm] type: Q, ref: 2995
Hvpx_____678_39_7 =  9.6E+03                                  ! [atm] type: Q, ref: 2992
Hvpx_____678_39_7 =  3.3E+04                                  ! [atm] type: Q, ref: 2992
Hvpx_____678_39_7 =  1.4E+03 * EXP(  -8600.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2993

! species:  2-methoxyperfluoro(2,5-di(propan-2-yl)oxolane)
! formula:  C_{11}H_3F_{19}O_2
! trivial:  
! casrn:    957209-18-6
! inchikey: YRGYOFYTTFLPQM-UHFFFAOYSA-N
Hvpx__957209_18_6 =  5.5E+07                                  ! [atm] type: ?, ref: 3766

! species:  3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl acrylate
! formula:  C_{11}H_7F_{13}O_2
! trivial:  
! casrn:    17527-29-6
! inchikey: VPKQPPJQTZJZDB-UHFFFAOYSA-N
Hvpx___17527_29_6 =  2.8E+05                                  ! [atm] type: Q, ref: 2995
Hvpx___17527_29_6 =  2.8E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___17527_29_6 =  1.9E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___17527_29_6 =  2.3E+05                                  ! [atm] type: Q, ref: 2995

! species:  2-(perfluorohexyl)ethyl methacrylate
! formula:  C_{12}H_9F_{13}O_2
! trivial:  
! casrn:    2144-53-8
! inchikey: CDXFIRXEAJABAZ-UHFFFAOYSA-N
Hvpx____2144_53_8 =  4.5E+05                                  ! [atm] type: Q, ref: 2995
Hvpx____2144_53_8 =  3.0E+03                                  ! [atm] type: Q, ref: 2995
Hvpx____2144_53_8 =  4.1E+03                                  ! [atm] type: Q, ref: 2995
Hvpx____2144_53_8 =  3.7E+05                                  ! [atm] type: Q, ref: 2995

! species:  1,1,2,2-tetrahydroperfluoro dodecanol
! formula:  C_{12}H_5F_{21}O
! trivial:  10:2 FTOH
! casrn:    865-86-1
! inchikey: FLXYIZWPNQYPIT-UHFFFAOYSA-N
Hvpx_____865_86_1 =  3.8E+03                                  ! [atm] type: M, ref: 3939
Hvpx_____865_86_1 =  4.3E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3013
Hvpx_____865_86_1 =  2.2E+00                                  ! [atm] type: V, ref: 3013
Hvpx_____865_86_1 =  6.1E+06                                  ! [atm] type: Q, ref: 3939
Hvpx_____865_86_1 =  6.3E+06                                  ! [atm] type: Q, ref: 2995
Hvpx_____865_86_1 =  2.0E+05                                  ! [atm] type: Q, ref: 2995
Hvpx_____865_86_1 =  3.7E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____865_86_1 =  3.3E+07                                  ! [atm] type: Q, ref: 2995
Hvpx_____865_86_1 =  1.2E+04                                  ! [atm] type: Q, ref: 2992
Hvpx_____865_86_1 =  1.1E+04                                  ! [atm] type: Q, ref: 2992
Hvpx_____865_86_1 =  5.2E+03 * EXP(  -9600.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2993
Hvpx_____865_86_1 =  5.4E+04                                  ! [atm] type: E, ref: 2992

! species:  3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl acrylate
! formula:  C_{13}H_7F_{17}O_2
! trivial:  
! casrn:    27905-45-9
! inchikey: QUKRIOLKOHUUBM-UHFFFAOYSA-N
Hvpx___27905_45_9 =  4.3E+02                                  ! [atm] type: M, ref: 3939
Hvpx___27905_45_9 =  7.8E+06                                  ! [atm] type: Q, ref: 2995
Hvpx___27905_45_9 =  5.1E+04                                  ! [atm] type: Q, ref: 2995
Hvpx___27905_45_9 =  4.9E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___27905_45_9 =  5.5E+06                                  ! [atm] type: Q, ref: 2995

! species:  3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl methacrylate
! formula:  C_{14}H_9F_{17}O_2
! trivial:  
! casrn:    1996-88-9
! inchikey: HBZFBSFGXQBQTB-UHFFFAOYSA-N
Hvpx____1996_88_9 =  1.2E+07                                  ! [atm] type: Q, ref: 2995
Hvpx____1996_88_9 =  5.3E+04                                  ! [atm] type: Q, ref: 2995
Hvpx____1996_88_9 =  1.0E+04                                  ! [atm] type: Q, ref: 2995
Hvpx____1996_88_9 =  8.5E+06                                  ! [atm] type: Q, ref: 2995

! species:  3,3,4,4,5,5,6,6,7,7,8,8,9,9,\+10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecan-1-ol
! formula:  C_{14}H_5F_{25}O
! trivial:  
! casrn:    39239-77-5
! inchikey: QBBJBWKVSJWYQK-UHFFFAOYSA-N
Hvpx___39239_77_5 =  1.7E+08                                  ! [atm] type: Q, ref: 2995
Hvpx___39239_77_5 =  5.1E+07                                  ! [atm] type: Q, ref: 2995
Hvpx___39239_77_5 =  1.8E+04                                  ! [atm] type: Q, ref: 2995
Hvpx___39239_77_5 =  8.0E+08                                  ! [atm] type: Q, ref: 2995

! species:  2-(perfluorodecyl)ethyl acrylate
! formula:  C_{15}H_7F_{21}O_2
! trivial:  
! casrn:    17741-60-5
! inchikey: FIAHOPQKBBASOY-UHFFFAOYSA-N
Hvpx___17741_60_5 =  2.1E+08                                  ! [atm] type: Q, ref: 2995
Hvpx___17741_60_5 =  1.7E+06                                  ! [atm] type: Q, ref: 2995
Hvpx___17741_60_5 =  2.3E+04                                  ! [atm] type: Q, ref: 2995
Hvpx___17741_60_5 =  1.5E+08                                  ! [atm] type: Q, ref: 2995

! species:  1,1,2,2-tetrahydroperfluoro-1-hexadecanol
! formula:  C_{16}H_5OF_{29}
! trivial:  
! casrn:    60699-51-6
! inchikey: ZDUOTHMDVYXZBS-UHFFFAOYSA-N
Hvpx___60699_51_6 =  4.8E+09                                  ! [atm] type: Q, ref: 2995
Hvpx___60699_51_6 =  3.8E+10                                  ! [atm] type: Q, ref: 2995
Hvpx___60699_51_6 =  8.9E+04                                  ! [atm] type: Q, ref: 2995
Hvpx___60699_51_6 =  1.9E+10                                  ! [atm] type: Q, ref: 2995

! species:  2-(perfluorodecyl)ethyl methacrylate
! formula:  C_{16}H_9F_{21}O_2
! trivial:  
! casrn:    2144-54-9
! inchikey: FQHLOOOXLDQLPF-UHFFFAOYSA-N
Hvpx____2144_54_9 =  3.4E+08                                  ! [atm] type: Q, ref: 2995
Hvpx____2144_54_9 =  1.7E+06                                  ! [atm] type: Q, ref: 2995
Hvpx____2144_54_9 =  4.9E+04                                  ! [atm] type: Q, ref: 2995
Hvpx____2144_54_9 =  2.3E+08                                  ! [atm] type: Q, ref: 2995

! species:  3,3,4,4,5,5,6,6,7,7,8,8,9,9,\+10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl prop-2-enoate
! formula:  C_{17}H_7F_{25}O_2
! trivial:  
! casrn:    34395-24-9
! inchikey: SWTZSHBOMGAQKX-UHFFFAOYSA-N
Hvpx___34395_24_9 =  6.0E+09                                  ! [atm] type: Q, ref: 2995
Hvpx___34395_24_9 =  1.1E+08                                  ! [atm] type: Q, ref: 2995
Hvpx___34395_24_9 =  2.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___34395_24_9 =  3.3E+09                                  ! [atm] type: Q, ref: 2995

! species:  profluthrin
! formula:  C_{17}H_{18}F_4O_2
! trivial:  
! casrn:    223419-20-3
! inchikey: AGMMRUPNXPWLGF-AATRIKPKSA-N
Hvpx__223419_20_3 =  2.2E+01                                  ! [atm] type: ?, ref: 3766

! species:  2-perfluorododecylethyl methacrylate
! formula:  C_{18}H_9F_{25}O_2
! trivial:  
! casrn:    6014-75-1
! inchikey: LFEGLDRNIDJMKB-UHFFFAOYSA-N
Hvpx____6014_75_1 =  9.4E+09                                  ! [atm] type: Q, ref: 2995
Hvpx____6014_75_1 =  1.1E+08                                  ! [atm] type: Q, ref: 2995
Hvpx____6014_75_1 =  2.4E+05                                  ! [atm] type: Q, ref: 2995
Hvpx____6014_75_1 =  5.5E+09                                  ! [atm] type: Q, ref: 2995

! species:  1,1,2,2-tetrahydroperfluoro-1-octadecanol
! formula:  C_{18}H_5OF_{33}
! trivial:  
! casrn:    65104-67-8
! inchikey: UYSGWTCETIRUHO-UHFFFAOYSA-N
Hvpx___65104_67_8 =  1.3E+11                                  ! [atm] type: Q, ref: 2995
Hvpx___65104_67_8 =  8.2E+13                                  ! [atm] type: Q, ref: 2995
Hvpx___65104_67_8 =  4.5E+05                                  ! [atm] type: Q, ref: 2995
Hvpx___65104_67_8 =  4.9E+11                                  ! [atm] type: Q, ref: 2995

! species:  metofluthrin
! formula:  C_{18}H_{20}F_4O_3
! trivial:  
! casrn:    240494-70-6
! inchikey: KVIZNNVXXNFLMU-AATRIKPKSA-N
Hvpx__240494_70_6 =  5.3E-01                                  ! [atm] type: V, ref: 3088

! species:  1,1,2,2-tetrahydroperfluorohexadecyl acrylate
! formula:  C_{19}H_7F{29}O_2
! trivial:  
! casrn:    34362-49-7
! inchikey: KLOHTAIHCCMZIL-UHFFFAOYSA-N
Hvpx___34362_49_7 =  1.7E+11                                  ! [atm] type: Q, ref: 2995
Hvpx___34362_49_7 =  1.3E+10                                  ! [atm] type: Q, ref: 2995
Hvpx___34362_49_7 =  8.3E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___34362_49_7 =  8.0E+10                                  ! [atm] type: Q, ref: 2995

! species:  fluoxymesterone
! formula:  C_{20}H_{29}FO_3
! trivial:  
! casrn:    76-43-7
! inchikey: YLRFCQOZQXIBAB-YXVJBPKESA-N
Hvpx______76_43_7 =  3.4E-05                                  ! [atm] type: Q, ref: 3088

! species:  dexamethasone
! formula:  C_{22}H_{29}FO_5
! trivial:  
! casrn:    50-02-2
! inchikey: UREBDLICKHMUKA-GCMAGEFQSA-N
Hvpx______50_02_2 =  4.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  1,1,2,2-tetrahydroperfluoroeicosyl alcohol
! formula:  C_{20}H_5OF_{37}
! trivial:  
! casrn:    65104-65-6
! inchikey: FDCQNVKWWMNRQN-UHFFFAOYSA-N
Hvpx___65104_65_6 =  3.6E+12                                  ! [atm] type: Q, ref: 2995
Hvpx___65104_65_6 =  2.5E+17                                  ! [atm] type: Q, ref: 2995
Hvpx___65104_65_6 =  2.2E+06                                  ! [atm] type: Q, ref: 2995
Hvpx___65104_65_6 =  1.2E+13                                  ! [atm] type: Q, ref: 2995

! species:  2-hydroxyfluorobenzene
! formula:  C_6H_5FO
! trivial:  $o$-fluorophenol
! casrn:    367-12-4
! inchikey: HFHFGHLXUCOHLN-UHFFFAOYSA-N
Hvpx_____367_12_4 =  1.8E-01                                  ! [atm] type: R, ref: 1501
Hvpx_____367_12_4 =  1.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____367_12_4 =  1.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____367_12_4 =  2.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____367_12_4 =  1.9E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____367_12_4 =  1.8E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____367_12_4 =  2.6E-03                                  ! [atm] type: Q, ref: 984
Hvpx_____367_12_4 =  1.8E-01                                  ! [atm] type: ?, ref: 3586

! species:  4-hydroxyfluorobenzene
! formula:  C_6H_5FO
! trivial:  $p$-fluorophenol
! casrn:    371-41-5
! inchikey: RHMPLDJJXGPMEX-UHFFFAOYSA-N
Hvpx_____371_41_5 =  3.9E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____371_41_5 =  1.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____371_41_5 =  4.2E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____371_41_5 =  6.9E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____371_41_5 =  1.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____371_41_5 =  3.9E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____371_41_5 =  2.6E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____371_41_5 =  2.6E-03                                  ! [atm] type: Q, ref: 984
Hvpx_____371_41_5 =  3.9E-02                                  ! [atm] type: ?, ref: 3586

! species:  3-fluorophenol
! formula:  C_6H_5FO
! trivial:  
! casrn:    372-20-3
! inchikey: SJTBRFHBXDZMPS-UHFFFAOYSA-N
Hvpx_____372_20_3 =  6.0E-02                                  ! [atm] type: Q, ref: 2521

! species:  2,6-difluorophenol
! formula:  C_6H_4F_2O
! trivial:  
! casrn:    28177-48-2
! inchikey: CKKOVFGIBXCEIJ-UHFFFAOYSA-N
Hvpx___28177_48_2 =  7.8E-01                                  ! [atm] type: Q, ref: 2521

! species:  4,4'-(hexafluoroisopropylidene)diphenol
! formula:  C_{15}H_{10}F_6O_2
! trivial:  
! casrn:    1478-61-1
! inchikey: ZFVMWEVVKGLCIJ-UHFFFAOYSA-N
Hvpx____1478_61_1 =  3.2E-05                                  ! [atm] type: Q, ref: 3088
Hvpx____1478_61_1 =  3.2E-05                                  ! [atm] type: Q, ref: 2995
Hvpx____1478_61_1 =  4.0E-07                                  ! [atm] type: Q, ref: 2995
Hvpx____1478_61_1 =  2.6E-06                                  ! [atm] type: Q, ref: 2995
Hvpx____1478_61_1 =  1.0E-04                                  ! [atm] type: Q, ref: 2995

! species:  flocoumafen
! formula:  C_{33}H_{25}F_3O_4
! trivial:  
! casrn:    90035-08-8
! inchikey: KKBGNYHHEIAGOH-UHFFFAOYSA-N
Hvpx___90035_08_8 =  4.0E-08                                  ! [atm] type: Q, ref: 3088

! species:  2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanenitrile
! formula:  C_4F_7N
! trivial:  
! casrn:    42532-60-5
! inchikey: AASDJASZOZGYMM-UHFFFAOYSA-N
Hvpx___42532_60_5 =  3.4E+07                                  ! [atm] type: ?, ref: 3766

! species:  2-fluoroaniline
! formula:  C_6H_6FN
! trivial:  
! casrn:    348-54-9
! inchikey: FTZQXOJYPFINKJ-UHFFFAOYSA-N
Hvpx_____348_54_9 =  4.0E-01                                  ! [atm] type: ?, ref: 3766

! species:  4-fluoroaniline
! formula:  C_6H_6FN
! trivial:  
! casrn:    371-40-4
! inchikey: KRZCOLNOCZKSDF-UHFFFAOYSA-N
Hvpx_____371_40_4 =  3.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  3-(trifluoromethyl)aniline
! formula:  C_7H_6F_3N
! trivial:  
! casrn:    98-16-8
! inchikey: VIUDTWATMPPKEL-UHFFFAOYSA-N
Hvpx______98_16_8 =  1.4E+00                                  ! [atm] type: ?, ref: 3766

! species:  perfluorotributylamine
! formula:  C_{12}F_{27}N
! trivial:  
! casrn:    311-89-7
! inchikey: RVZRBWKZFJCCIB-UHFFFAOYSA-N
Hvpx_____311_89_7 =  3.0E+09                                  ! [atm] type: Q, ref: 3088
Hvpx_____311_89_7 =  3.0E+09                                  ! [atm] type: Q, ref: 2995
Hvpx_____311_89_7 =  1.6E+09                                  ! [atm] type: Q, ref: 2995
Hvpx_____311_89_7 =  3.0E+08                                  ! [atm] type: Q, ref: 2995
Hvpx_____311_89_7 =  2.0E+09                                  ! [atm] type: Q, ref: 2995

! species:  N-ethyl-1-[3-(trifluoromethyl)phenyl]-2-propanamine
! formula:  C_{12}H_{16}F_3N
! trivial:  fenfluramine
! casrn:    458-24-2
! inchikey: DBGIVFWFUFKIQN-UHFFFAOYSA-N
Hvpx_____458_24_2 =  1.5E+00                                  ! [atm] type: Q, ref: 3088

! species:  tris(undecafluoropentyl)amine
! formula:  C_{15}F_{33}N
! trivial:  
! casrn:    338-84-1
! inchikey: AQZYBQIAUSKCCS-UHFFFAOYSA-N
Hvpx_____338_84_1 =  4.4E+11                                  ! [atm] type: Q, ref: 2995
Hvpx_____338_84_1 =  5.3E+11                                  ! [atm] type: Q, ref: 2995
Hvpx_____338_84_1 =  1.6E+09                                  ! [atm] type: Q, ref: 2995
Hvpx_____338_84_1 =  2.6E+11                                  ! [atm] type: Q, ref: 2995

! species:  indaziflam A
! formula:  C_{16}H_{20}FN_5
! trivial:  
! casrn:    730979-19-8
! inchikey: YFONKFDEZLYQDH-OPQQBVKSSA-N
Hvpx__730979_19_8 =  3.0E-06                                  ! [atm] type: ?, ref: 3766

! species:  indaziflam B
! formula:  C_{16}H_{20}FN_5
! trivial:  
! casrn:    730979-32-5
! inchikey: YFONKFDEZLYQDH-OUJBWJOFSA-N
Hvpx__730979_32_5 =  1.0E-06                                  ! [atm] type: ?, ref: 3766

! species:  cinacalcet
! formula:  C_{22}H_{22}F_3N
! trivial:  
! casrn:    226256-56-0
! inchikey: VDHAWDNDOKGFTD-MRXNPFEDSA-N
Hvpx__226256_56_0 =  1.2E-02                                  ! [atm] type: Q, ref: 3088

! species:  hydramethylnon
! formula:  C_{25}H_{24}F_6N_4
! trivial:  
! casrn:    67485-29-4
! inchikey: IQVNEKKDSLOHHK-FNCQTZNRSA-N
Hvpx___67485_29_4 =  1.2E-01                                  ! [atm] type: V, ref: 3586
Hvpx___67485_29_4 =  1.2E-01                                  ! [atm] type: V, ref: 3088
Hvpx___67485_29_4 =  2.1E-07                                  ! [atm] type: Q, ref: 3586

! species:  2-fluoroacetamide
! formula:  C_2H_4FNO
! trivial:  
! casrn:    640-19-7
! inchikey: FVTWJXMFYOXOKK-UHFFFAOYSA-N
Hvpx_____640_19_7 =  1.2E-03                                  ! [atm] type: Q, ref: 3088

! species:  5-fluorouracil
! formula:  C_4H_3FN_2O_2
! trivial:  
! casrn:    51-21-8
! inchikey: GHASVSINZRGABV-UHFFFAOYSA-N
Hvpx______51_21_8 =  9.4E-06                                  ! [atm] type: Q, ref: 3088

! species:  perfluoro-N-methylmorpholine
! formula:  C_5F_{11}NO
! trivial:  
! casrn:    382-28-5
! inchikey: PQMAKJUXOOVROI-UHFFFAOYSA-N
Hvpx_____382_28_5 =  8.5E+06                                  ! [atm] type: ?, ref: 3766

! species:  1-fluoro-2,4-dinitrobenzene
! formula:  C_6H_3FN_2O_4
! trivial:  
! casrn:    70-34-8
! inchikey: LOTKRQAVGJMPNV-UHFFFAOYSA-N
Hvpx______70_34_8 =  5.4E-03                                  ! [atm] type: Q, ref: 3088

! species:  5-fluoro-2-nitrophenol
! formula:  C_6H_4FNO_3
! trivial:  
! casrn:    446-36-6
! inchikey: QQURWFRNETXFTN-UHFFFAOYSA-N
Hvpx_____446_36_6 =  1.1E+00                                  ! [atm] type: M, ref: 1155
Hvpx_____446_36_6 =  9.4E-02                                  ! [atm] type: V, ref: 941

! species:  4-nitro-3-(trifluoromethyl)phenol
! formula:  C_7H_4F_3NO_3
! trivial:  
! casrn:    88-30-2
! inchikey: ZEFMBAFMCSYJOO-UHFFFAOYSA-N
Hvpx______88_30_2 =  1.1E-03                                  ! [atm] type: Q, ref: 3088
Hvpx______88_30_2 =  1.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______88_30_2 =  8.2E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______88_30_2 =  1.4E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______88_30_2 =  4.7E-04                                  ! [atm] type: Q, ref: 2995

! species:  1-nitro-3-(trifluoromethyl)benzene
! formula:  C_7H_4F_3NO_2
! trivial:  
! casrn:    98-46-4
! inchikey: WHNAMGUAXHGCHH-UHFFFAOYSA-N
Hvpx______98_46_4 =  1.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______98_46_4 =  2.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______98_46_4 =  9.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______98_46_4 =  6.6E+01                                  ! [atm] type: Q, ref: 2995

! species:  1-isocyanato-3-(trifluoromethyl)-benzene
! formula:  C_8H_4F_3NO
! trivial:  
! casrn:    329-01-1
! inchikey: SXJYSIBLFGQAND-UHFFFAOYSA-N
Hvpx_____329_01_1 =  1.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____329_01_1 =  2.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____329_01_1 =  4.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____329_01_1 =  8.5E+00                                  ! [atm] type: Q, ref: 2995

! species:  flonicamid
! formula:  C_9H_6F_3N_3O
! trivial:  
! casrn:    158062-67-0
! inchikey: RLQJEEJISHYWON-UHFFFAOYSA-N
Hvpx__158062_67_0 =  2.3E-08                                  ! [atm] type: V, ref: 3088
Hvpx__158062_67_0 =  2.3E-08                                  ! [atm] type: ?, ref: 3549

! species:  trifluridine
! formula:  C_{10}H_{11}F_3N_2O_5
! trivial:  
! casrn:    70-00-8
! inchikey: VSQQQLOSPVPRAZ-RRKCRQDMSA-N
Hvpx______70_00_8 =  5.3E-12                                  ! [atm] type: Q, ref: 3088

! species:  N-(4-amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
! formula:  C_{10}H_7F_7N_2O_2
! trivial:  
! casrn:    847-51-8
! inchikey: STPOJASQXPXVMS-UHFFFAOYSA-N
Hvpx_____847_51_8 =  2.8E-09                                  ! [atm] type: Q, ref: 2995
Hvpx_____847_51_8 =  2.4E-08                                  ! [atm] type: Q, ref: 2995
Hvpx_____847_51_8 =  3.6E-06                                  ! [atm] type: Q, ref: 2995
Hvpx_____847_51_8 =  9.6E-08                                  ! [atm] type: Q, ref: 2995

! species:  fluometuron
! formula:  C_{10}H_{11}F_3N_2O
! trivial:  
! casrn:    2164-17-2
! inchikey: RZILCCPWPBTYDO-UHFFFAOYSA-N
Hvpx____2164_17_2 =  9.4E-05                                  ! [atm] type: V, ref: 2614
Hvpx____2164_17_2 =  1.4E-04                                  ! [atm] type: C, ref: 3088

! species:  dinitramine
! formula:  C_{11}H_{13}F_3N_4O_4
! trivial:  
! casrn:    29091-05-2
! inchikey: OFDYMSKSGFSLLM-UHFFFAOYSA-N
Hvpx___29091_05_2 =  7.7E-02                                  ! [atm] type: V, ref: 3088
Hvpx___29091_05_2 =  8.5E-02                                  ! [atm] type: V, ref: 2614
Hvpx___29091_05_2 =  8.7E-02                                  ! [atm] type: V, ref: 1157

! species:  5-methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide
! formula:  C_{12}H_9F_3N_2O_2
! trivial:  leflunomide
! casrn:    75706-12-6
! inchikey: VHOGYURTWQBHIL-UHFFFAOYSA-N
Hvpx___75706_12_6 =  6.8E-06                                  ! [atm] type: Q, ref: 3088

! species:  fludioxonil
! formula:  C_{12}H_6F_2N_2O_2
! trivial:  
! casrn:    131341-86-1
! inchikey: MUJOIMFVNIBMKC-UHFFFAOYSA-N
Hvpx__131341_86_1 =  2.9E-05                                  ! [atm] type: V, ref: 3586
Hvpx__131341_86_1 =  3.3E-05                                  ! [atm] type: Q, ref: 3586
Hvpx__131341_86_1 =  2.9E-05                                  ! [atm] type: ?, ref: 3549

! species:  fluconazole
! formula:  C_{13}H_{12}F_2N_6O
! trivial:  
! casrn:    86386-73-4
! inchikey: RFHAOTPXVQNOHP-UHFFFAOYSA-N
Hvpx___86386_73_4 =  5.5E-09                                  ! [atm] type: Q, ref: 3088

! species:  ethalfluralin
! formula:  C_{13}H_{14}F_3N_3O_4
! trivial:  
! casrn:    55283-68-6
! inchikey: PTFJIKYUEPWBMS-UHFFFAOYSA-N
Hvpx___55283_68_6 =  7.2E+00                                  ! [atm] type: V, ref: 3088

! species:  benfluralin
! formula:  C_{13}H_{16}F_3N_3O_4
! trivial:  benefin
! casrn:    1861-40-1
! inchikey: SMDHCQAYESWHAE-UHFFFAOYSA-N
Hvpx____1861_40_1 =  1.6E+01                                  ! [atm] type: V, ref: 3088
Hvpx____1861_40_1 =  7.3E-01                                  ! [atm] type: V, ref: 1157
Hvpx____1861_40_1 =  5.2E+00                                  ! [atm] type: ?, ref: 3549

! species:  trifluralin
! formula:  C_{13}H_{16}F_3N_3O_4
! trivial:  
! casrn:    1582-09-8
! inchikey: ZSDSQXJSNMTJDA-UHFFFAOYSA-N
Hvpx____1582_09_8 =  5.7E+00                                  ! [atm] type: M, ref: 893
Hvpx____1582_09_8 =  6.0E-01                                  ! [atm] type: M, ref: 2538
Hvpx____1582_09_8 =  2.8E+00                                  ! [atm] type: M, ref: 901
Hvpx____1582_09_8 =  3.2E+00                                  ! [atm] type: M, ref: 901
Hvpx____1582_09_8 =  2.2E+00                                  ! [atm] type: V, ref: 1157
Hvpx____1582_09_8 =  1.4E-01                                  ! [atm] type: V, ref: 2455
Hvpx____1582_09_8 =  2.2E+02                                  ! [atm] type: X, ref: barcelo97
Hvpx____1582_09_8 =  5.7E+00                                  ! [atm] type: C, ref: 3088
Hvpx____1582_09_8 =  6.6E+02                                  ! [atm] type: Q, ref: 3729
Hvpx____1582_09_8 =  3.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____1582_09_8 =  2.1E+00                                  ! [atm] type: Q, ref: 2530

! species:  prodiamine
! formula:  C_{13}H_{17}F_3N_4O_4
! trivial:  
! casrn:    29091-21-2
! inchikey: RSVPPPHXAASNOL-UHFFFAOYSA-N
Hvpx___29091_21_2 =  4.3E-01                                  ! [atm] type: ?, ref: 3766

! species:  fluorodifen
! formula:  C_{13}H_7F_3N_2O_5
! trivial:  
! casrn:    15457-05-3
! inchikey: HHMCAJWVGYGUEF-UHFFFAOYSA-N
Hvpx___15457_05_3 =  8.4E-04                                  ! [atm] type: ?, ref: 3087

! species:  profluralin
! formula:  C_{14}H_{16}F_3N_3O_4
! trivial:  
! casrn:    26399-36-0
! inchikey: ITVQAKZNYJEWKS-UHFFFAOYSA-N
Hvpx___26399_36_0 =  1.6E+01                                  ! [atm] type: V, ref: 3088
Hvpx___26399_36_0 =  1.7E+01                                  ! [atm] type: V, ref: 2614
Hvpx___26399_36_0 =  2.1E+01                                  ! [atm] type: V, ref: 1157
Hvpx___26399_36_0 =  1.6E+01                                  ! [atm] type: ?, ref: 3087

! species:  flumequine
! formula:  C_{14}H_{12}FNO_3
! trivial:  
! casrn:    42835-25-6
! inchikey: DPSPPJIUMHPXMA-UHFFFAOYSA-N
Hvpx___42835_25_6 =  1.5E-08                                  ! [atm] type: Q, ref: 3088

! species:  fluazifop
! formula:  C_{15}H_{12}F_3NO_4
! trivial:  
! casrn:    69335-91-7
! inchikey: YUVKUEAFAVKILW-UHFFFAOYSA-N
Hvpx___69335_91_7 =  1.6E-08                                  ! [atm] type: ?, ref: 3766

! species:  fluazifop-p
! formula:  C_{15}H_{12}F_3NO_4
! trivial:  
! casrn:    83066-88-0
! inchikey: YUVKUEAFAVKILW-SECBINFHSA-N
Hvpx___83066_88_0 =  5.4E-07                                  ! [atm] type: ?, ref: 3766

! species:  prosulfuron
! formula:  C_{15}H_{16}F_3N_5O_4S
! trivial:  
! casrn:    94125-34-5
! inchikey: LTUNNEGNEKBSEH-UHFFFAOYSA-N
Hvpx___94125_34_5 =  1.6E-04                                  ! [atm] type: ?, ref: 3549

! species:  flurprimidol
! formula:  C_{15}H_{15}N_2O_2F_3
! trivial:  
! casrn:    56425-91-3
! inchikey: VEVZCONIUDBCDC-UHFFFAOYSA-N
Hvpx___56425_91_3 =  7.3E-05                                  ! [atm] type: V, ref: 3586
Hvpx___56425_91_3 =  2.2E-05                                  ! [atm] type: Q, ref: 3586

! species:  flutriafol
! formula:  C_{16}H_{13}F_2N_3O
! trivial:  
! casrn:    76674-21-0
! inchikey: JWUCHKBSVLQQCO-UHFFFAOYSA-N
Hvpx___76674_21_0 =  9.0E-09                                  ! [atm] type: V, ref: 3586
Hvpx___76674_21_0 =  7.2E-06                                  ! [atm] type: Q, ref: 3586
Hvpx___76674_21_0 =  6.9E-07                                  ! [atm] type: ?, ref: 3549

! species:  flunitrazepam
! formula:  C_{16}H_{12}FN_3O_3
! trivial:  
! casrn:    1622-62-4
! inchikey: PPTYJKAXVCCBDU-UHFFFAOYSA-N
Hvpx____1622_62_4 =  1.3E-06                                  ! [atm] type: Q, ref: 3088

! species:  cyhalofop
! formula:  C_{16}H_{12}FNO_4
! trivial:  
! casrn:    122008-78-0
! inchikey: ROBSGBGTWRRYSK-SNVBAGLBSA-N
Hvpx__122008_78_0 =  3.2E-06                                  ! [atm] type: ?, ref: 3766

! species:  benzpyrimoxan
! formula:  C_{16}H_{15}F_3N_2O_3
! trivial:  
! casrn:    1449021-97-9
! inchikey: ZYXYTGQFPZEUFX-UHFFFAOYSA-N
Hvpx_1449021_97_9 =  5.1E-04                                  ! [atm] type: ?, ref: 3766

! species:  tolprocarb
! formula:  C_{16}H_{21}F_3N_2O_3
! trivial:  
! casrn:    911499-62-2
! inchikey: RSOBJVBYZCMJOS-CYBMUJFWSA-N
Hvpx__911499_62_2 =  8.3E-06                                  ! [atm] type: ?, ref: 3766

! species:  flutolanil
! formula:  C_{17}H_{16}F_3NO_2
! trivial:  
! casrn:    66332-96-5
! inchikey: PTCGDEVVHUXTMP-UHFFFAOYSA-N
Hvpx___66332_96_5 =  1.8E-04                                  ! [atm] type: V, ref: 3586
Hvpx___66332_96_5 =  2.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___66332_96_5 =  9.0E-06                                  ! [atm] type: ?, ref: 3549

! species:  beflubutamid
! formula:  C_{18}H_{17}F_4NO_2
! trivial:  
! casrn:    113614-08-7
! inchikey: FFQPZWRNXKPNPX-UHFFFAOYSA-N
Hvpx__113614_08_7 =  6.0E-05                                  ! [atm] type: ?, ref: 3549

! species:  fluxapyroxad
! formula:  C_{18}H_{12}F_5N_3O
! trivial:  
! casrn:    907204-31-3
! inchikey: SXSGXWCSHSVPGB-UHFFFAOYSA-N
Hvpx__907204_31_3 =  1.7E-07                                  ! [atm] type: ?, ref: 3549

! species:  flurtamone
! formula:  C_{18}H_{14}F_3NO_2
! trivial:  
! casrn:    96525-23-4
! inchikey: NYRMIJKDBAQCHC-UHFFFAOYSA-N
Hvpx___96525_23_4 =  3.5E-09                                  ! [atm] type: ?, ref: 3766

! species:  picoxystrobin
! formula:  C_{18}H_{16}F_3NO_4
! trivial:  
! casrn:    117428-22-5
! inchikey: IBSNKSODLGJUMQ-SDNWHVSQSA-N
Hvpx__117428_22_5 =  4.0E-04                                  ! [atm] type: ?, ref: 3766

! species:  sedaxane
! formula:  C_{18}H_{19}F_2N_3O
! trivial:  
! casrn:    874967-67-6
! inchikey: XQJQCBDIXRIYRP-UHFFFAOYSA-N
Hvpx__874967_67_6 =  2.2E-06                                  ! [atm] type: ?, ref: 3549

! species:  penflufen
! formula:  C_{18}H_{24}FN_3O
! trivial:  
! casrn:    494793-67-8
! inchikey: GOFJDXZZHFNFLV-UHFFFAOYSA-N
Hvpx__494793_67_8 =  1.7E-05                                  ! [atm] type: ?, ref: 3766

! species:  fluazifop-p-butyl
! formula:  C_{19}H_{20}F_3NO_4
! trivial:  
! casrn:    79241-46-6
! inchikey: VAIZTNZGPYBOGF-CYBMUJFWSA-N
Hvpx___79241_46_6 =  2.7E-02                                  ! [atm] type: ?, ref: 3549

! species:  picolinafen
! formula:  C_{19}H_{12}F_4N_2O_2
! trivial:  
! casrn:    137641-05-5
! inchikey: CWKFPEBMTGKLKX-UHFFFAOYSA-N
Hvpx__137641_05_5 =  8.7E-04                                  ! [atm] type: ?, ref: 3549

! species:  diflufenican
! formula:  C_{19}H_{11}F_5N_2O_2
! trivial:  
! casrn:    83164-33-4
! inchikey: WYEHFWKAOXOVJD-UHFFFAOYSA-N
Hvpx___83164_33_4 =  8.6E-03                                  ! [atm] type: Q, ref: 3730
Hvpx___83164_33_4 =  4.9E-04                                  ! [atm] type: Q, ref: 3586
Hvpx___83164_33_4 =  1.8E-02                                  ! [atm] type: ?, ref: 3586
Hvpx___83164_33_4 =  6.4E-03                                  ! [atm] type: ?, ref: 3549

! species:  fluazifop-butyl
! formula:  C_{19}H_{20}F_3NO_4
! trivial:  
! casrn:    69806-50-4
! inchikey: VAIZTNZGPYBOGF-UHFFFAOYSA-N
Hvpx___69806_50_4 =  1.2E-02                                  ! [atm] type: V, ref: 3088

! species:  flumioxazin
! formula:  C_{19}H_{15}FN_2O_4
! trivial:  
! casrn:    103361-09-7
! inchikey: FOUWCSDKDDHKQP-UHFFFAOYSA-N
Hvpx__103361_09_7 =  3.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx__103361_09_7 =  3.5E-02                                  ! [atm] type: ?, ref: 3549

! species:  fluridone
! formula:  C_{19}H_{14}F_3NO
! trivial:  
! casrn:    59756-60-4
! inchikey: YWBVHLJPRPCRSD-UHFFFAOYSA-N
Hvpx___59756_60_4 =  4.5E-04                                  ! [atm] type: V, ref: 3586
Hvpx___59756_60_4 =  1.9E-04                                  ! [atm] type: V, ref: 3088
Hvpx___59756_60_4 =  2.8E-03                                  ! [atm] type: Q, ref: 3586

! species:  cyhalofop-butyl
! formula:  C_{20}H_{20}FNO_4
! trivial:  
! casrn:    122008-85-9
! inchikey: TYIYMOAHACZAMQ-CQSZACIVSA-N
Hvpx__122008_85_9 =  5.2E-04                                  ! [atm] type: X, ref: macbean2012
Hvpx__122008_85_9 =  5.2E-04                                  ! [atm] type: ?, ref: 3549

! species:  raltegravir
! formula:  C_{20}H_{21}FN_6O_5
! trivial:  
! casrn:    518048-05-0
! inchikey: CZFFBEXEKNGXKS-UHFFFAOYSA-N
Hvpx__518048_05_0 =  5.0E-18                                  ! [atm] type: Q, ref: 3088

! species:  fluacrypyrim
! formula:  C_{20}H_{21}N_2O_5F_3
! trivial:  
! casrn:    229977-93-9
! inchikey: MXWAGQASUDSFBG-RVDMUPIBSA-N
Hvpx__229977_93_9 =  1.8E-03                                  ! [atm] type: ?, ref: 3087

! species:  trifloxystrobin
! formula:  C_{20}H_{19}F_3N_2O_4
! trivial:  
! casrn:    141517-21-7
! inchikey: ONCZDRURRATYFI-UHFFFAOYSA-N
Hvpx__141517_21_7 =  1.3E-03                                  ! [atm] type: X, ref: macbean2012
Hvpx__141517_21_7 =  1.3E-03                                  ! [atm] type: ?, ref: 3549

! species:  isopyrazam
! formula:  C_{20}H_{23}F_2N_3O
! trivial:  
! casrn:    881685-58-1
! inchikey: XTDZGXBTXBEZDN-UHFFFAOYSA-N
Hvpx__881685_58_1 =  1.0E-04                                  ! [atm] type: ?, ref: 3549
Hvpx__881685_58_1 =  2.0E-05                                  ! [atm] type: ?, ref: 3549

! species:  syn-isopyrazam
! formula:  C_{20}H_{23}F_2N_3O
! trivial:  
! casrn:    683777-13-1
! inchikey: XTDZGXBTXBEZDN-HEHGZKQESA-N
Hvpx__683777_13_1 =  1.1E-07                                  ! [atm] type: ?, ref: 3766

! species:  anti-isopyrazam
! formula:  C_{20}H_{23}F_2N_3O
! trivial:  
! casrn:    683777-14-2
! inchikey: XTDZGXBTXBEZDN-XEZPLFJOSA-N
Hvpx__683777_14_2 =  2.1E-07                                  ! [atm] type: ?, ref: 3766

! species:  etoxazole
! formula:  C_{21}H_{23}F_2NO_2
! trivial:  
! casrn:    153233-91-1
! inchikey: IXSZQYVWNJNRAL-UHFFFAOYSA-N
Hvpx__153233_91_1 =  5.7E-03                                  ! [atm] type: V, ref: 3586
Hvpx__153233_91_1 =  5.5E-03                                  ! [atm] type: V, ref: 3088
Hvpx__153233_91_1 =  3.1E-03                                  ! [atm] type: Q, ref: 3586
Hvpx__153233_91_1 =  2.0E-02                                  ! [atm] type: ?, ref: 3549

! species:  droperidol
! formula:  C_{22}H_{22}FN_3O_2
! trivial:  
! casrn:    548-73-2
! inchikey: RMEDXOLNCUSCGS-UHFFFAOYSA-N
Hvpx_____548_73_2 =  1.5E-12                                  ! [atm] type: Q, ref: 3088

! species:  paliperidone
! formula:  C_{23}H_{27}FN_4O_3
! trivial:  
! casrn:    144598-75-4
! inchikey: PMXMIIMHBWHSKN-UHFFFAOYSA-N
Hvpx__144598_75_4 =  4.4E-16                                  ! [atm] type: Q, ref: 3088

! species:  risperidone
! formula:  C_{23}H_{27}FN_4O_2
! trivial:  
! casrn:    106266-06-2
! inchikey: RAPZEAPATHNIPO-UHFFFAOYSA-N
Hvpx__106266_06_2 =  1.2E-11                                  ! [atm] type: Q, ref: 3088

! species:  ezetimibe
! formula:  C_{24}H_{21}F_2NO_3
! trivial:  
! casrn:    163222-33-1
! inchikey: OLNTVTPDXPETLC-XPWALMASSA-N
Hvpx__163222_33_1 =  2.4E-13                                  ! [atm] type: Q, ref: 3088

! species:  cyflumetofen
! formula:  C_{24}H_{24}F_3NO_4
! trivial:  
! casrn:    400882-07-7
! inchikey: AWSZRJQNBMEZOI-UHFFFAOYSA-N
Hvpx__400882_07_7 =  5.1E-02                                  ! [atm] type: ?, ref: 3549

! species:  acrinathrin
! formula:  C_{26}H_{21}F_6NO_5
! trivial:  
! casrn:    101007-06-1
! inchikey: YLFSVIMMRPNPFK-WEQBUNFVSA-N
Hvpx__101007_06_1 =  5.9E-03                                  ! [atm] type: ?, ref: 3549

! species:  cerivastatin
! formula:  C_{26}H_{34}FNO_5
! trivial:  
! casrn:    145599-86-6
! inchikey: SEERZIQQUAZTOL-ANMDKAQQSA-N
Hvpx__145599_86_6 =  3.2E-14                                  ! [atm] type: Q, ref: 3088

! species:  flucythrinate, isomer 1
! formula:  C_{26}H_{23}F_2NO_4
! trivial:  
! casrn:    70124-77-5
! inchikey: GBIHOLCMZGAKNG-UHFFFAOYSA-N
Hvpx___70124_77_5 =  4.8E-03                                  ! [atm] type: V, ref: 3088
Hvpx___70124_77_5 =  5.9E-04                                  ! [atm] type: V, ref: 2614

! species:  PFBHA-methanal
! formula:  H_2C=NOCH_2C_6F_5
! trivial:  
! casrn:    86356-73-2
! inchikey: SRTQFRQWTUMMTC-UHFFFAOYSA-N
Hvpx___86356_73_2 =  3.3E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2497

! species:  PFBHA-ethanal
! formula:  CH_3CH=NOCH_2C_6F_5
! trivial:  
! casrn:    114611-59-5
! inchikey: AKDRYEADQPNLOH-UHFFFAOYSA-N
Hvpx__114611_59_5 =  2.9E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2497

! species:  PFBHA-propanone
! formula:  (CH_3)_2C=NOCH_2C_6F_5
! trivial:  
! casrn:    899828-53-6
! inchikey: DLIFNTQMBOCKTL-UHFFFAOYSA-N
Hvpx__899828_53_6 =  4.9E+01 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2497

! species:  PFBHA-butanone
! formula:  (C_2H_5)(CH_3)C=NOCH_2C_6F_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: LNDQFOSWZJYEIC-UHFFFAOYSA-N
Hvpx_LNDQFOSWZJYEIC_UHFFFAOYSA_N =  1.2E+02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2497

! species:  PFBHA-2-pentanone
! formula:  (C_3H_7)(CH_3)C=NOCH_2C_6F_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: YKQOTQPNOJSJFA-UHFFFAOYSA-N
Hvpx_YKQOTQPNOJSJFA_UHFFFAOYSA_N =  1.5E+02 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2497

! species:  PFBHA-hexanal
! formula:  C_5H_{11}CH=NOCH_2C_6F_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GPAVMFOMYSGJDM-UHFFFAOYSA-N
Hvpx_GPAVMFOMYSGJDM_UHFFFAOYSA_N =  9.4E+01                                  ! [atm] type: M, ref: 2497

! species:  PFBHA-octanal
! formula:  C_7H_{15}CH=NOCH_2C_6F_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: RLSQIXNUITTXKZ-UHFFFAOYSA-N
Hvpx_RLSQIXNUITTXKZ_UHFFFAOYSA_N =  6.9E+01                                  ! [atm] type: M, ref: 2497

! species:  PFBHA-decanal
! formula:  C_9H_{19}CH=NOCH_2C_6F_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: NUGDFCWVLOJWOP-UHFFFAOYSA-N
Hvpx_NUGDFCWVLOJWOP_UHFFFAOYSA_N =  2.2E+01                                  ! [atm] type: M, ref: 2497

! species:  PFBHA-propenal
! formula:  CH_2CHCH=NOCH_2C_6F_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: ICDUEGOPUWNJNF-UHFFFAOYSA-N
Hvpx_ICDUEGOPUWNJNF_UHFFFAOYSA_N =  5.7E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2497

! species:  ($E$)-PFBHA-propenal
! formula:  C_{10}H_6F_5NO
! trivial:  
! casrn:    932710-55-9
! inchikey: ICDUEGOPUWNJNF-HQYXKAPLSA-N
Hvpx__932710_55_9 =  5.7E+01                                  ! [atm] type: ?, ref: 3766

! species:  PFBHA-crotonaldehyde
! formula:  CH_3CHCHCH=NOCH_2C_6F_5
! trivial:  
! casrn:    932710-52-6
! inchikey: QNPFFCQTVXPCLD-UHFFFAOYSA-N
Hvpx__932710_52_6 =  8.0E+01 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2497

! species:  PFBHA-benzaldehyde
! formula:  C_6H_5CH=NOCH_2C_6F_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UKSAZCDAGVHMRF-UHFFFAOYSA-N
Hvpx_UKSAZCDAGVHMRF_UHFFFAOYSA_N =  1.1E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2497

! species:  PFBHA-4-methyl-benzaldehyde
! formula:  C_8H_8=NOCH_2C_6F_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UCASBURGYXMQLW-UHFFFAOYSA-N
Hvpx_UCASBURGYXMQLW_UHFFFAOYSA_N =  8.2E+01                                  ! [atm] type: M, ref: 2497

! species:  PFBHA-9-fluorenone
! formula:  C_{13}H_8=NOCH_2C_6F_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: UABDVZDYKDIZFO-UHFFFAOYSA-N
Hvpx_UABDVZDYKDIZFO_UHFFFAOYSA_N =  5.0E+01                                  ! [atm] type: M, ref: 2497

! species:  PFBHA-ethanedial
! formula:  (HC=NOCH_2C_6F_5)_2
! trivial:  
! casrn:    618858-54-1
! inchikey: VNVBOBJSRGZDCW-UHFFFAOYSA-N
Hvpx__618858_54_1 =  3.4E+01                                  ! [atm] type: M, ref: 2497

! species:  PFBHA-1-hydroxypropanone
! formula:  (CH_2OH)(CH_3)C=NOCH_2C_6F_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BCTASVPUYLXFBW-UHFFFAOYSA-N
Hvpx_BCTASVPUYLXFBW_UHFFFAOYSA_N =  2.0E+01                                  ! [atm] type: M, ref: 2497

! species:  PFBHA-3-hydroxy-3-methyl-2-butanone
! formula:  (HOC_3H_6)(CH_3)C=NOCH_2C_6F_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VNWPJWLGZUDTBZ-UHFFFAOYSA-N
Hvpx_VNWPJWLGZUDTBZ_UHFFFAOYSA_N =  4.4E+01                                  ! [atm] type: M, ref: 2497

! species:  chloromethane
! formula:  CH_3Cl
! trivial:  methyl chloride
! casrn:    74-87-3
! inchikey: NEHMKBQYUWJMIP-UHFFFAOYSA-N
Hvpx______74_87_3 =  5.2E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______74_87_3 =  5.5E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_87_3 =  6.3E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_87_3 =  5.1E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_87_3 =  6.3E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_87_3 =  5.5E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______74_87_3 =  4.4E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______74_87_3 =  5.1E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx______74_87_3 =  4.4E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______74_87_3 =  4.9E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______74_87_3 =  5.2E+02                                  ! [atm] type: L, ref: 479
Hvpx______74_87_3 =  5.3E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______74_87_3 =  6.9E+02 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______74_87_3 =  6.0E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2824
Hvpx______74_87_3 =  6.2E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1026
Hvpx______74_87_3 =  5.9E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 583
Hvpx______74_87_3 =  6.4E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______74_87_3 =  5.1E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1342
Hvpx______74_87_3 =  4.7E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 532
Hvpx______74_87_3 =  4.0E+02                                  ! [atm] type: M, ref: 544
Hvpx______74_87_3 =  5.2E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1340
Hvpx______74_87_3 =  5.5E+02 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2552
Hvpx______74_87_3 =  5.3E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2222
Hvpx______74_87_3 =  5.2E+02                                  ! [atm] type: V, ref: 2612
Hvpx______74_87_3 =  1.3E+03                                  ! [atm] type: V, ref: 477
Hvpx______74_87_3 =  5.3E+02                                  ! [atm] type: V, ref: 635
Hvpx______74_87_3 =  5.1E+02                                  ! [atm] type: V, ref: 545
Hvpx______74_87_3 =  4.5E+02                                  ! [atm] type: V, ref: 545
Hvpx______74_87_3 =  5.5E+02                                  ! [atm] type: V, ref: 642
Hvpx______74_87_3 =  4.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______74_87_3 =  1.9E+03 * EXP(    630.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______74_87_3 =  2.2E+04                                  ! [atm] type: C, ref: 2235
Hvpx______74_87_3 =  5.0E+02                                  ! [atm] type: Q, ref: 3728
Hvpx______74_87_3 =  2.0E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______74_87_3 =  3.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______74_87_3 =  3.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______74_87_3 =  5.5E+02                                  ! [atm] type: Q, ref: 3689
Hvpx______74_87_3 =  8.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______74_87_3 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______74_87_3 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______74_87_3 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______74_87_3 =  5.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______74_87_3 =  5.3E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______74_87_3 =  2.9E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______74_87_3 =  4.8E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______74_87_3 =  6.3E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______74_87_3 =  5.3E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______74_87_3 =  1.5E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______74_87_3 =  6.3E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______74_87_3 =  1.4E+03                                  ! [atm] type: Q, ref: 2482
Hvpx______74_87_3 =  6.4E+02                                  ! [atm] type: Q, ref: 2550
Hvpx______74_87_3 =  4.9E+02                                  ! [atm] type: ?, ref: 2612
Hvpx______74_87_3 =  4.6E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______74_87_3 =  8.0E+02                                  ! [atm] type: ?, ref: 3614
Hvpx______74_87_3 =  4.6E+02                                  ! [atm] type: ?, ref: 789
Hvpx______74_87_3 =  5.4E+02                                  ! [atm] type: ?, ref: 1500

! species:  dichloromethane
! formula:  CH_2Cl_2
! trivial:  methylene chloride
! casrn:    75-09-2
! inchikey: YMWUJEATGCHHMB-UHFFFAOYSA-N
Hvpx______75_09_2 =  1.4E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______75_09_2 =  1.4E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_09_2 =  1.6E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_09_2 =  1.4E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_09_2 =  1.6E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_09_2 =  1.5E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_09_2 =  1.5E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_09_2 =  1.4E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx______75_09_2 =  1.5E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______75_09_2 =  1.5E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______75_09_2 =  1.5E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______75_09_2 =  1.4E+02                                  ! [atm] type: L, ref: 479
Hvpx______75_09_2 =  1.4E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______75_09_2 =  1.6E+02 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2824
Hvpx______75_09_2 =  1.5E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3564
Hvpx______75_09_2 =  1.7E+02                                  ! [atm] type: M, ref: 2955
Hvpx______75_09_2 =  1.3E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3690
Hvpx______75_09_2 =  1.6E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1026
Hvpx______75_09_2 =  1.4E+02                                  ! [atm] type: M, ref: 1573
Hvpx______75_09_2 =  1.6E+02                                  ! [atm] type: M, ref: 3672
Hvpx______75_09_2 =  1.3E+02                                  ! [atm] type: M, ref: 2935
Hvpx______75_09_2 =  1.6E+02                                  ! [atm] type: M, ref: 1113
Hvpx______75_09_2 =  1.5E-01                                  ! [atm] type: M, ref: 3646
Hvpx______75_09_2 =  1.1E+02                                  ! [atm] type: M, ref: 2450
Hvpx______75_09_2 =  1.5E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______75_09_2 =  1.3E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2905
Hvpx______75_09_2 =  1.3E+02                                  ! [atm] type: M, ref: 637
Hvpx______75_09_2 =  1.5E+02                                  ! [atm] type: M, ref: 2493
Hvpx______75_09_2 =  1.4E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx______75_09_2 =  1.4E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx______75_09_2 =  1.2E+02                                  ! [atm] type: M, ref: 3675
Hvpx______75_09_2 =  1.6E+02                                  ! [atm] type: M, ref: 2924
Hvpx______75_09_2 =  1.6E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______75_09_2 =  1.2E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 532
Hvpx______75_09_2 =  9.6E+01                                  ! [atm] type: M, ref: 2448
Hvpx______75_09_2 =  1.0E+02                                  ! [atm] type: M, ref: 2479
Hvpx______75_09_2 =  1.4E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2269
Hvpx______75_09_2 =  1.6E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 601
Hvpx______75_09_2 =  1.8E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx______75_09_2 =  1.8E+02                                  ! [atm] type: M, ref: 2900
Hvpx______75_09_2 =  2.0E+02                                  ! [atm] type: M, ref: 2918
Hvpx______75_09_2 =  1.6E+02                                  ! [atm] type: M, ref: 544
Hvpx______75_09_2 =  1.3E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 640
Hvpx______75_09_2 =  1.3E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx______75_09_2 =  2.0E+02                                  ! [atm] type: V, ref: 2612
Hvpx______75_09_2 =  1.5E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx______75_09_2 =  1.4E+02                                  ! [atm] type: V, ref: 2905
Hvpx______75_09_2 =  9.2E+01                                  ! [atm] type: V, ref: 635
Hvpx______75_09_2 =  1.9E+02                                  ! [atm] type: V, ref: 2439
Hvpx______75_09_2 =  1.7E+02                                  ! [atm] type: V, ref: 2900
Hvpx______75_09_2 =  1.4E+02                                  ! [atm] type: V, ref: 545
Hvpx______75_09_2 =  4.6E+01                                  ! [atm] type: V, ref: 545
Hvpx______75_09_2 =  1.3E+02                                  ! [atm] type: V, ref: 642
Hvpx______75_09_2 =  1.4E+02                                  ! [atm] type: V, ref: 1916
Hvpx______75_09_2 =  1.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_09_2 =  1.8E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______75_09_2 =  1.3E+02                                  ! [atm] type: C, ref: 1912
Hvpx______75_09_2 =  1.6E+02                                  ! [atm] type: C, ref: 1912
Hvpx______75_09_2 =  1.2E+02                                  ! [atm] type: C, ref: 2235
Hvpx______75_09_2 =  1.8E+02                                  ! [atm] type: C, ref: 3083
Hvpx______75_09_2 =  1.5E+02                                  ! [atm] type: C, ref: 545
Hvpx______75_09_2 =  1.5E+02                                  ! [atm] type: C, ref: 1916
Hvpx______75_09_2 =  9.8E+01                                  ! [atm] type: Q, ref: 3728
Hvpx______75_09_2 =  6.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______75_09_2 =  2.1E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______75_09_2 =  8.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______75_09_2 =  4.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_09_2 =  5.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_09_2 =  1.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______75_09_2 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_09_2 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______75_09_2 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_09_2 =  1.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______75_09_2 =  6.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______75_09_2 =  3.0E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______75_09_2 =  1.5E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______75_09_2 =  1.8E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______75_09_2 =  3.0E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______75_09_2 =  8.5E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______75_09_2 =  2.5E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______75_09_2 =  1.8E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______75_09_2 =  1.6E+02                                  ! [atm] type: ?, ref: 2612
Hvpx______75_09_2 =  1.4E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______75_09_2 =  1.9E+02                                  ! [atm] type: ?, ref: 3614
Hvpx______75_09_2 =  1.6E+02                                  ! [atm] type: ?, ref: 635
Hvpx______75_09_2 =  1.4E+02                                  ! [atm] type: ?, ref: 789
Hvpx______75_09_2 =  1.5E+02                                  ! [atm] type: ?, ref: 1500

! species:  dichloromethane-d2
! formula:  CD_2Cl_2
! trivial:  methylene chloride-d2
! casrn:    1665-00-5
! inchikey: YMWUJEATGCHHMB-DICFDUPASA-N
Hvpx____1665_00_5 =  1.4E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  trichloromethane
! formula:  CHCl_3
! trivial:  chloroform
! casrn:    67-66-3
! inchikey: HEDRZPFGACZZDS-UHFFFAOYSA-N
Hvpx______67_66_3 =  2.0E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______67_66_3 =  2.1E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______67_66_3 =  2.8E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______67_66_3 =  2.1E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______67_66_3 =  2.8E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______67_66_3 =  2.3E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______67_66_3 =  2.2E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______67_66_3 =  2.1E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx______67_66_3 =  2.2E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______67_66_3 =  2.2E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______67_66_3 =  2.2E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______67_66_3 =  2.1E+02                                  ! [atm] type: L, ref: 479
Hvpx______67_66_3 =  3.5E+02                                  ! [atm] type: L, ref: 2441
Hvpx______67_66_3 =  2.1E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx______67_66_3 =  2.0E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______67_66_3 =  2.2E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2824
Hvpx______67_66_3 =  1.8E+02                                  ! [atm] type: M, ref: 3572
Hvpx______67_66_3 =  2.0E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3690
Hvpx______67_66_3 =  3.8E+02                                  ! [atm] type: M, ref: 2940
Hvpx______67_66_3 =  2.3E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2953
Hvpx______67_66_3 =  2.8E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1026
Hvpx______67_66_3 =  2.2E+02                                  ! [atm] type: M, ref: 1573
Hvpx______67_66_3 =  2.0E+02                                  ! [atm] type: M, ref: 2935
Hvpx______67_66_3 =  1.8E+02                                  ! [atm] type: M, ref: 2938
Hvpx______67_66_3 =  1.8E+02                                  ! [atm] type: M, ref: 1113
Hvpx______67_66_3 =  1.6E+02                                  ! [atm] type: M, ref: 3646
Hvpx______67_66_3 =  1.7E+02                                  ! [atm] type: M, ref: 2450
Hvpx______67_66_3 =  2.0E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______67_66_3 =  2.1E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2905
Hvpx______67_66_3 =  2.5E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2463
Hvpx______67_66_3 =  2.4E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 583
Hvpx______67_66_3 =  2.1E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 584
Hvpx______67_66_3 =  2.2E+02                                  ! [atm] type: M, ref: 637
Hvpx______67_66_3 =  2.3E+02                                  ! [atm] type: M, ref: 2493
Hvpx______67_66_3 =  2.1E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx______67_66_3 =  1.1E+02 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: M, ref: 598
Hvpx______67_66_3 =  2.3E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2901
Hvpx______67_66_3 =  2.6E+02                                  ! [atm] type: M, ref: 2924
Hvpx______67_66_3 =  2.3E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______67_66_3 =  2.0E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 532
Hvpx______67_66_3 =  2.1E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2243
Hvpx______67_66_3 =  1.9E+02                                  ! [atm] type: M, ref: 2448
Hvpx______67_66_3 =  1.7E+02                                  ! [atm] type: M, ref: 2903
Hvpx______67_66_3 =  2.2E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2269
Hvpx______67_66_3 =  2.2E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 531
Hvpx______67_66_3 =  2.3E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 601
Hvpx______67_66_3 =  2.7E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 608
Hvpx______67_66_3 =  2.2E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx______67_66_3 =  3.7E+02 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx______67_66_3 =  1.9E+02                                  ! [atm] type: M, ref: 2900
Hvpx______67_66_3 =  2.2E+02 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2952
Hvpx______67_66_3 =  4.0E+02                                  ! [atm] type: M, ref: 2918
Hvpx______67_66_3 =  1.5E+02                                  ! [atm] type: M, ref: 544
Hvpx______67_66_3 =  2.0E+02 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 640
Hvpx______67_66_3 =  3.5E+02                                  ! [atm] type: M, ref: 3697
Hvpx______67_66_3 =  2.1E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx______67_66_3 =  2.1E+02                                  ! [atm] type: V, ref: 2612
Hvpx______67_66_3 =  2.1E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx______67_66_3 =  2.2E+02                                  ! [atm] type: V, ref: 2905
Hvpx______67_66_3 =  2.1E+02                                  ! [atm] type: V, ref: 635
Hvpx______67_66_3 =  2.1E+02                                  ! [atm] type: V, ref: 2439
Hvpx______67_66_3 =  1.0E+02                                  ! [atm] type: V, ref: 2975
Hvpx______67_66_3 =  1.8E+02                                  ! [atm] type: V, ref: 2900
Hvpx______67_66_3 =  2.0E+02                                  ! [atm] type: V, ref: 3945
Hvpx______67_66_3 =  2.2E+02                                  ! [atm] type: V, ref: 545
Hvpx______67_66_3 =  6.1E+01                                  ! [atm] type: V, ref: 545
Hvpx______67_66_3 =  2.4E+02                                  ! [atm] type: V, ref: 642
Hvpx______67_66_3 =  2.2E+02                                  ! [atm] type: V, ref: 1916
Hvpx______67_66_3 =  2.4E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: V, ref: 862
Hvpx______67_66_3 =  2.2E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: X, ref: 1147
Hvpx______67_66_3 =  1.8E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______67_66_3 =  2.3E+02                                  ! [atm] type: C, ref: 1912
Hvpx______67_66_3 =  1.6E+02                                  ! [atm] type: C, ref: 1912
Hvpx______67_66_3 =  1.6E+02                                  ! [atm] type: C, ref: 2235
Hvpx______67_66_3 =  2.0E+02                                  ! [atm] type: C, ref: 531
Hvpx______67_66_3 =  2.7E+02                                  ! [atm] type: C, ref: 531
Hvpx______67_66_3 =  1.9E+02                                  ! [atm] type: C, ref: 3083
Hvpx______67_66_3 =  1.8E+02                                  ! [atm] type: C, ref: 545
Hvpx______67_66_3 =  1.8E+02                                  ! [atm] type: C, ref: 1916
Hvpx______67_66_3 =  2.1E+02                                  ! [atm] type: Q, ref: 3728
Hvpx______67_66_3 =  4.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______67_66_3 =  1.3E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______67_66_3 =  1.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______67_66_3 =  1.5E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______67_66_3 =  2.2E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______67_66_3 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______67_66_3 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______67_66_3 =  1.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______67_66_3 =  4.1E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______67_66_3 =  1.3E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______67_66_3 =  5.4E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______67_66_3 =  2.1E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______67_66_3 =  1.4E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______67_66_3 =  2.3E+02                                  ! [atm] type: Q, ref: 2481
Hvpx______67_66_3 =  2.3E+02                                  ! [atm] type: ?, ref: 2612
Hvpx______67_66_3 =  2.3E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______67_66_3 =  3.5E+02                                  ! [atm] type: ?, ref: 3614
Hvpx______67_66_3 =  2.3E+02                                  ! [atm] type: ?, ref: 635
Hvpx______67_66_3 =  2.3E+02                                  ! [atm] type: ?, ref: 789
Hvpx______67_66_3 =  2.2E+02                                  ! [atm] type: ?, ref: 1500

! species:  tetrachloromethane
! formula:  CCl_4
! trivial:  carbontetrachloride
! casrn:    56-23-5
! inchikey: VZGDMQKNWNREIO-UHFFFAOYSA-N
Hvpx______56_23_5 =  1.6E+03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______56_23_5 =  1.5E+03 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______56_23_5 =  2.1E+03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______56_23_5 =  1.5E+03 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______56_23_5 =  2.1E+03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______56_23_5 =  1.6E+03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______56_23_5 =  1.6E+03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______56_23_5 =  1.5E+03 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx______56_23_5 =  1.6E+03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______56_23_5 =  1.6E+03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______56_23_5 =  1.6E+03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______56_23_5 =  1.1E+03                                  ! [atm] type: L, ref: 479
Hvpx______56_23_5 =  1.1E+03 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______56_23_5 =  1.8E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2824
Hvpx______56_23_5 =  1.6E+03 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3690
Hvpx______56_23_5 =  1.4E+03                                  ! [atm] type: M, ref: 2935
Hvpx______56_23_5 =  1.4E+03                                  ! [atm] type: M, ref: 1113
Hvpx______56_23_5 =  1.9E+03 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3571
Hvpx______56_23_5 =  1.3E+03 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______56_23_5 =  1.4E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2905
Hvpx______56_23_5 =  1.4E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 584
Hvpx______56_23_5 =  1.5E+03                                  ! [atm] type: M, ref: 637
Hvpx______56_23_5 =  1.7E+03 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx______56_23_5 =  2.3E+03                                  ! [atm] type: M, ref: 2457
Hvpx______56_23_5 =  1.9E+03 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx______56_23_5 =  1.4E+03 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx______56_23_5 =  1.6E+03 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 598
Hvpx______56_23_5 =  1.9E+03 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx______56_23_5 =  1.7E+03 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______56_23_5 =  1.7E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 532
Hvpx______56_23_5 =  1.7E+03 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2243
Hvpx______56_23_5 =  1.7E+03                                  ! [atm] type: M, ref: 2448
Hvpx______56_23_5 =  1.3E+03                                  ! [atm] type: M, ref: 2479
Hvpx______56_23_5 =  1.3E+03                                  ! [atm] type: M, ref: 2903
Hvpx______56_23_5 =  1.3E+03 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 608
Hvpx______56_23_5 =  1.5E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx______56_23_5 =  1.7E+03                                  ! [atm] type: M, ref: 2900
Hvpx______56_23_5 =  1.7E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2952
Hvpx______56_23_5 =  5.6E+03                                  ! [atm] type: M, ref: 2918
Hvpx______56_23_5 =  1.2E+03                                  ! [atm] type: M, ref: 544
Hvpx______56_23_5 =  1.5E+03 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 640
Hvpx______56_23_5 =  1.6E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: V, ref: 2612
Hvpx______56_23_5 =  1.5E+03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx______56_23_5 =  1.3E+03                                  ! [atm] type: V, ref: 2905
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: V, ref: 635
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: V, ref: 2439
Hvpx______56_23_5 =  8.2E+03                                  ! [atm] type: V, ref: 2974
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: V, ref: 2900
Hvpx______56_23_5 =  1.2E+03                                  ! [atm] type: V, ref: 3945
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: V, ref: 545
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: V, ref: 642
Hvpx______56_23_5 =  2.8E+03                                  ! [atm] type: T, ref: 766
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______56_23_5 =  1.7E+03 * EXP(  -1100.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______56_23_5 =  1.4E+03                                  ! [atm] type: C, ref: 1912
Hvpx______56_23_5 =  2.6E+03                                  ! [atm] type: C, ref: 1912
Hvpx______56_23_5 =  1.2E+03                                  ! [atm] type: C, ref: 2235
Hvpx______56_23_5 =  1.7E+03                                  ! [atm] type: C, ref: 3083
Hvpx______56_23_5 =  1.2E+03                                  ! [atm] type: C, ref: 545
Hvpx______56_23_5 =  1.5E+03                                  ! [atm] type: C, ref: 563
Hvpx______56_23_5 =  1.1E+03                                  ! [atm] type: Q, ref: 3728
Hvpx______56_23_5 =  1.0E+03                                  ! [atm] type: Q, ref: 3730
Hvpx______56_23_5 =  8.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: Q, ref: 3689
Hvpx______56_23_5 =  1.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______56_23_5 =  1.8E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______56_23_5 =  1.0E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______56_23_5 =  2.4E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: Q, ref: 2535
Hvpx______56_23_5 =  2.6E+03                                  ! [atm] type: Q, ref: 2543
Hvpx______56_23_5 =  1.6E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: Q, ref: 2482
Hvpx______56_23_5 =  1.3E+03                                  ! [atm] type: Q, ref: 2481
Hvpx______56_23_5 =  1.5E+03                                  ! [atm] type: ?, ref: 3586
Hvpx______56_23_5 =  4.5E+03                                  ! [atm] type: ?, ref: 3087
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: ?, ref: 2612
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______56_23_5 =  5.4E+03                                  ! [atm] type: ?, ref: 3614
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: ?, ref: 635
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: ?, ref: 789
Hvpx______56_23_5 =  1.6E+03                                  ! [atm] type: ?, ref: 1500
Hvpx______56_23_5 =  1.3E+03                                  ! [atm] type: ?, ref: 2233
Hvpx______56_23_5 =  5.0E+02                                  ! [atm] type: ?, ref: 2979

! species:  chloroethane
! formula:  C_2H_5Cl
! trivial:  
! casrn:    75-00-3
! inchikey: HRYZWHHZPQKTII-UHFFFAOYSA-N
Hvpx______75_00_3 =  6.7E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______75_00_3 =  6.7E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_00_3 =  6.6E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_00_3 =  6.7E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_00_3 =  6.6E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx______75_00_3 =  6.5E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______75_00_3 =  6.6E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______75_00_3 =  1.1E+02                                  ! [atm] type: L, ref: 479
Hvpx______75_00_3 =  1.2E+03                                  ! [atm] type: L, ref: 2441
Hvpx______75_00_3 =  7.5E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx______75_00_3 =  6.4E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______75_00_3 =  7.2E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2824
Hvpx______75_00_3 =  6.1E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx______75_00_3 =  5.9E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______75_00_3 =  6.9E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______75_00_3 =  6.2E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 532
Hvpx______75_00_3 =  9.9E+01                                  ! [atm] type: V, ref: 2612
Hvpx______75_00_3 =  9.9E+01                                  ! [atm] type: V, ref: 635
Hvpx______75_00_3 =  9.8E+02                                  ! [atm] type: V, ref: 2439
Hvpx______75_00_3 =  6.2E+02                                  ! [atm] type: V, ref: 545
Hvpx______75_00_3 =  4.7E+02                                  ! [atm] type: V, ref: 642
Hvpx______75_00_3 =  3.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_00_3 =  8.0E+02 * EXP(   -750.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______75_00_3 =  8.3E+02                                  ! [atm] type: C, ref: 2235
Hvpx______75_00_3 =  8.7E+02                                  ! [atm] type: C, ref: 2550
Hvpx______75_00_3 =  6.8E+02                                  ! [atm] type: Q, ref: 3728
Hvpx______75_00_3 =  2.5E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______75_00_3 =  3.8E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______75_00_3 =  3.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______75_00_3 =  6.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______75_00_3 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_00_3 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_00_3 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_00_3 =  5.9E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______75_00_3 =  4.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_00_3 =  5.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______75_00_3 =  4.8E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______75_00_3 =  1.1E+03                                  ! [atm] type: Q, ref: 3731
Hvpx______75_00_3 =  5.6E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______75_00_3 =  6.0E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______75_00_3 =  8.9E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______75_00_3 =  6.9E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______75_00_3 =  7.2E+02                                  ! [atm] type: Q, ref: 2550
Hvpx______75_00_3 =  5.6E+02                                  ! [atm] type: ?, ref: 2612
Hvpx______75_00_3 =  3.8E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______75_00_3 =  1.1E+03                                  ! [atm] type: ?, ref: 3614
Hvpx______75_00_3 =  5.6E+02                                  ! [atm] type: ?, ref: 635
Hvpx______75_00_3 =  3.8E+02                                  ! [atm] type: ?, ref: 789
Hvpx______75_00_3 =  4.7E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,1-dichloroethane
! formula:  CHCl_2CH_3
! trivial:  
! casrn:    75-34-3
! inchikey: SCYULBFZEHDVBN-UHFFFAOYSA-N
Hvpx______75_34_3 =  3.2E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______75_34_3 =  3.1E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_34_3 =  3.7E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_34_3 =  3.1E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_34_3 =  3.7E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_34_3 =  3.1E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_34_3 =  3.1E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx______75_34_3 =  3.0E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______75_34_3 =  3.3E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______75_34_3 =  3.5E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______75_34_3 =  3.2E+02                                  ! [atm] type: L, ref: 479
Hvpx______75_34_3 =  2.8E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______75_34_3 =  3.0E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2824
Hvpx______75_34_3 =  2.7E+02                                  ! [atm] type: M, ref: 2899
Hvpx______75_34_3 =  3.4E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2953
Hvpx______75_34_3 =  2.5E+02                                  ! [atm] type: M, ref: 2450
Hvpx______75_34_3 =  3.0E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______75_34_3 =  2.7E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 584
Hvpx______75_34_3 =  3.6E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx______75_34_3 =  3.1E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx______75_34_3 =  3.3E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2901
Hvpx______75_34_3 =  3.6E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______75_34_3 =  3.0E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 532
Hvpx______75_34_3 =  4.3E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx______75_34_3 =  3.0E+02                                  ! [atm] type: M, ref: 2900
Hvpx______75_34_3 =  5.2E+02                                  ! [atm] type: M, ref: 2918
Hvpx______75_34_3 =  3.0E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx______75_34_3 =  3.2E+02                                  ! [atm] type: V, ref: 2612
Hvpx______75_34_3 =  3.4E+02                                  ! [atm] type: V, ref: 635
Hvpx______75_34_3 =  3.1E+02                                  ! [atm] type: V, ref: 2900
Hvpx______75_34_3 =  3.2E+02                                  ! [atm] type: V, ref: 3945
Hvpx______75_34_3 =  3.2E+02                                  ! [atm] type: V, ref: 545
Hvpx______75_34_3 =  3.2E+02                                  ! [atm] type: V, ref: 642
Hvpx______75_34_3 =  3.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_34_3 =  3.2E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: X, ref: 1147
Hvpx______75_34_3 =  3.0E+02 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______75_34_3 =  2.3E+02                                  ! [atm] type: C, ref: 2235
Hvpx______75_34_3 =  3.0E+02                                  ! [atm] type: C, ref: 3083
Hvpx______75_34_3 =  1.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______75_34_3 =  1.3E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______75_34_3 =  8.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_34_3 =  2.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______75_34_3 =  2.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_34_3 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_34_3 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_34_3 =  3.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______75_34_3 =  1.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_34_3 =  3.9E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______75_34_3 =  3.1E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______75_34_3 =  1.1E+03                                  ! [atm] type: Q, ref: 2543
Hvpx______75_34_3 =  5.1E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______75_34_3 =  3.9E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______75_34_3 =  3.1E+02                                  ! [atm] type: ?, ref: 2612
Hvpx______75_34_3 =  3.2E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______75_34_3 =  5.0E+02                                  ! [atm] type: ?, ref: 3614
Hvpx______75_34_3 =  3.5E+02                                  ! [atm] type: ?, ref: 635
Hvpx______75_34_3 =  3.3E+02                                  ! [atm] type: ?, ref: 789
Hvpx______75_34_3 =  3.2E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,2-dichloroethane
! formula:  CH_2ClCH_2Cl
! trivial:  
! casrn:    107-06-2
! inchikey: WSLDOOZREJYCGB-UHFFFAOYSA-N
Hvpx_____107_06_2 =  7.3E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____107_06_2 =  6.1E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____107_06_2 =  7.2E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____107_06_2 =  6.1E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____107_06_2 =  7.2E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____107_06_2 =  6.5E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____107_06_2 =  6.1E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx_____107_06_2 =  6.0E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____107_06_2 =  7.0E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____107_06_2 =  7.7E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx_____107_06_2 =  6.0E+01                                  ! [atm] type: L, ref: 479
Hvpx_____107_06_2 =  6.7E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____107_06_2 =  6.0E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2824
Hvpx_____107_06_2 =  1.0E+02                                  ! [atm] type: M, ref: 2969
Hvpx_____107_06_2 =  9.6E+02                                  ! [atm] type: M, ref: 2969
Hvpx_____107_06_2 =  1.3E+02                                  ! [atm] type: M, ref: 2969
Hvpx_____107_06_2 =  6.7E+01                                  ! [atm] type: M, ref: 2969
Hvpx_____107_06_2 =  7.3E+01                                  ! [atm] type: M, ref: 3646
Hvpx_____107_06_2 =  5.2E+01                                  ! [atm] type: M, ref: 2450
Hvpx_____107_06_2 =  8.9E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____107_06_2 =  5.8E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 584
Hvpx_____107_06_2 =  6.6E+01                                  ! [atm] type: M, ref: 637
Hvpx_____107_06_2 =  6.7E+01                                  ! [atm] type: M, ref: 2493
Hvpx_____107_06_2 =  6.5E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx_____107_06_2 =  6.8E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx_____107_06_2 =  8.5E+01 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx_____107_06_2 =  9.4E+01 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2901
Hvpx_____107_06_2 =  7.2E+01                                  ! [atm] type: M, ref: 2924
Hvpx_____107_06_2 =  8.5E+01 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____107_06_2 =  6.5E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx_____107_06_2 =  6.1E+01                                  ! [atm] type: M, ref: 2900
Hvpx_____107_06_2 =  1.2E+02                                  ! [atm] type: M, ref: 2918
Hvpx_____107_06_2 =  5.0E+01                                  ! [atm] type: M, ref: 544
Hvpx_____107_06_2 =  6.9E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 640
Hvpx_____107_06_2 =  7.6E+01                                  ! [atm] type: M, ref: 2491
Hvpx_____107_06_2 =  6.3E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx_____107_06_2 =  6.6E+01                                  ! [atm] type: V, ref: 2612
Hvpx_____107_06_2 =  6.6E+01                                  ! [atm] type: V, ref: 635
Hvpx_____107_06_2 =  7.5E+01                                  ! [atm] type: V, ref: 2900
Hvpx_____107_06_2 =  6.8E+01                                  ! [atm] type: V, ref: 545
Hvpx_____107_06_2 =  7.3E+01                                  ! [atm] type: V, ref: 642
Hvpx_____107_06_2 =  6.5E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____107_06_2 =  6.4E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: X, ref: 1147
Hvpx_____107_06_2 =  6.1E+01 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____107_06_2 =  6.3E+01                                  ! [atm] type: C, ref: 1912
Hvpx_____107_06_2 =  6.1E+01                                  ! [atm] type: C, ref: 1912
Hvpx_____107_06_2 =  5.1E+01                                  ! [atm] type: C, ref: 2235
Hvpx_____107_06_2 =  6.1E+01                                  ! [atm] type: C, ref: 3083
Hvpx_____107_06_2 =  5.4E+01                                  ! [atm] type: C, ref: 545
Hvpx_____107_06_2 =  5.0E+01                                  ! [atm] type: Q, ref: 3728
Hvpx_____107_06_2 =  4.6E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_06_2 =  1.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_06_2 =  3.7E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_06_2 =  4.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_06_2 =  2.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_06_2 =  7.3E+01                                  ! [atm] type: Q, ref: 3689
Hvpx_____107_06_2 =  8.3E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____107_06_2 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_06_2 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_06_2 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_06_2 =  5.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____107_06_2 =  5.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_06_2 =  1.1E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_06_2 =  6.6E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____107_06_2 =  1.6E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____107_06_2 =  2.5E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____107_06_2 =  7.1E+01                                  ! [atm] type: Q, ref: 731
Hvpx_____107_06_2 =  3.1E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____107_06_2 =  6.5E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____107_06_2 =  1.3E+02                                  ! [atm] type: ?, ref: 3087
Hvpx_____107_06_2 =  7.8E+01                                  ! [atm] type: ?, ref: 2612
Hvpx_____107_06_2 =  6.5E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____107_06_2 =  1.2E+02                                  ! [atm] type: ?, ref: 3614
Hvpx_____107_06_2 =  7.8E+01                                  ! [atm] type: ?, ref: 635
Hvpx_____107_06_2 =  6.5E+01                                  ! [atm] type: ?, ref: 789
Hvpx_____107_06_2 =  6.6E+01                                  ! [atm] type: ?, ref: 1500
Hvpx_____107_06_2 =  4.5E+01                                  ! [atm] type: ?, ref: 2979

! species:  1,2-dichloroethane-d4
! formula:  CD_2ClCD_2Cl
! trivial:  
! casrn:    17060-07-0
! inchikey: WSLDOOZREJYCGB-LNLMKGTHSA-N
Hvpx___17060_07_0 =  6.3E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,1,1-trichloroethane
! formula:  CH_3CCl_3
! trivial:  methylchloroform; MCF
! casrn:    71-55-6
! inchikey: UOCLXMDMGBRAIB-UHFFFAOYSA-N
Hvpx______71_55_6 =  9.1E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______71_55_6 =  9.0E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______71_55_6 =  1.3E+03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______71_55_6 =  9.0E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______71_55_6 =  1.3E+03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______71_55_6 =  9.4E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______71_55_6 =  9.0E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx______71_55_6 =  8.8E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______71_55_6 =  9.3E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______71_55_6 =  9.5E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______71_55_6 =  1.5E+03                                  ! [atm] type: L, ref: 479
Hvpx______71_55_6 =  8.0E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______71_55_6 =  1.0E+03 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2824
Hvpx______71_55_6 =  8.8E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2896
Hvpx______71_55_6 =  7.7E+02                                  ! [atm] type: M, ref: 1113
Hvpx______71_55_6 =  6.9E+02                                  ! [atm] type: M, ref: 2450
Hvpx______71_55_6 =  8.1E+02 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______71_55_6 =  1.1E+03                                  ! [atm] type: M, ref: 2463
Hvpx______71_55_6 =  8.1E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 584
Hvpx______71_55_6 =  9.9E+02 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 599
Hvpx______71_55_6 =  1.0E+03                                  ! [atm] type: M, ref: 637
Hvpx______71_55_6 =  9.3E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx______71_55_6 =  9.6E+02                                  ! [atm] type: M, ref: 2493
Hvpx______71_55_6 =  9.1E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx______71_55_6 =  8.7E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx______71_55_6 =  6.9E+02 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: M, ref: 857
Hvpx______71_55_6 =  1.1E+03 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx______71_55_6 =  1.7E+03                                  ! [atm] type: M, ref: 2924
Hvpx______71_55_6 =  9.7E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______71_55_6 =  9.3E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 532
Hvpx______71_55_6 =  9.4E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2243
Hvpx______71_55_6 =  8.7E+02                                  ! [atm] type: M, ref: 2479
Hvpx______71_55_6 =  9.5E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2269
Hvpx______71_55_6 =  9.3E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 601
Hvpx______71_55_6 =  7.2E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 608
Hvpx______71_55_6 =  1.1E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx______71_55_6 =  2.1E+03 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx______71_55_6 =  2.7E+02                                  ! [atm] type: M, ref: 2900
Hvpx______71_55_6 =  1.5E+03                                  ! [atm] type: M, ref: 2918
Hvpx______71_55_6 =  1.9E+03                                  ! [atm] type: M, ref: 544
Hvpx______71_55_6 =  9.3E+02                                  ! [atm] type: V, ref: 2612
Hvpx______71_55_6 =  8.0E+02                                  ! [atm] type: V, ref: 635
Hvpx______71_55_6 =  7.9E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: V, ref: 1014
Hvpx______71_55_6 =  2.3E+02                                  ! [atm] type: V, ref: 2900
Hvpx______71_55_6 =  1.6E+03                                  ! [atm] type: V, ref: 545
Hvpx______71_55_6 =  1.4E+03                                  ! [atm] type: V, ref: 545
Hvpx______71_55_6 =  4.9E+02                                  ! [atm] type: V, ref: 545
Hvpx______71_55_6 =  8.9E+02                                  ! [atm] type: V, ref: 642
Hvpx______71_55_6 =  9.2E+02                                  ! [atm] type: V, ref: 1916
Hvpx______71_55_6 =  1.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______71_55_6 =  9.4E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: X, ref: 1147
Hvpx______71_55_6 =  2.5E+02 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______71_55_6 =  1.8E+03                                  ! [atm] type: C, ref: 2235
Hvpx______71_55_6 =  2.7E+02                                  ! [atm] type: C, ref: 3083
Hvpx______71_55_6 =  2.4E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______71_55_6 =  7.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______71_55_6 =  2.7E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______71_55_6 =  2.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______71_55_6 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______71_55_6 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______71_55_6 =  2.2E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______71_55_6 =  1.1E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______71_55_6 =  6.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______71_55_6 =  4.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______71_55_6 =  8.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______71_55_6 =  6.9E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______71_55_6 =  1.0E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______71_55_6 =  2.4E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______71_55_6 =  3.3E+02                                  ! [atm] type: Q, ref: 2481
Hvpx______71_55_6 =  9.6E+02                                  ! [atm] type: ?, ref: 2612
Hvpx______71_55_6 =  1.2E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______71_55_6 =  1.5E+03                                  ! [atm] type: ?, ref: 3614
Hvpx______71_55_6 =  9.6E+02                                  ! [atm] type: ?, ref: 635
Hvpx______71_55_6 =  9.8E+02                                  ! [atm] type: ?, ref: 1500
Hvpx______71_55_6 =  3.5E+02                                  ! [atm] type: ?, ref: 2979

! species:  1,1,2-trichloroethane
! formula:  CHCl_2CH_2Cl
! trivial:  
! casrn:    79-00-5
! inchikey: UBOXGVDOUJQMTN-UHFFFAOYSA-N
Hvpx______79_00_5 =  5.1E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______79_00_5 =  4.9E+01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_00_5 =  4.9E+01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______79_00_5 =  5.1E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______79_00_5 =  4.9E+01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx______79_00_5 =  4.6E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______79_00_5 =  4.8E+01 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______79_00_5 =  4.8E+01 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______79_00_5 =  6.6E+01                                  ! [atm] type: L, ref: 479
Hvpx______79_00_5 =  7.5E+01 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3681
Hvpx______79_00_5 =  3.9E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______79_00_5 =  4.7E+01                                  ! [atm] type: M, ref: 2899
Hvpx______79_00_5 =  5.1E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx______79_00_5 =  3.6E+01                                  ! [atm] type: M, ref: 2938
Hvpx______79_00_5 =  3.6E+01                                  ! [atm] type: M, ref: 2450
Hvpx______79_00_5 =  4.9E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______79_00_5 =  4.4E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx______79_00_5 =  4.7E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx______79_00_5 =  4.9E+01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx______79_00_5 =  5.4E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______79_00_5 =  4.6E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx______79_00_5 =  8.2E+01                                  ! [atm] type: M, ref: 2918
Hvpx______79_00_5 =  5.1E+01                                  ! [atm] type: V, ref: 2612
Hvpx______79_00_5 =  5.3E+01                                  ! [atm] type: V, ref: 635
Hvpx______79_00_5 =  5.1E+01                                  ! [atm] type: V, ref: 545
Hvpx______79_00_5 =  5.0E+01                                  ! [atm] type: V, ref: 642
Hvpx______79_00_5 =  5.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______79_00_5 =  4.8E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: X, ref: 1147
Hvpx______79_00_5 =  4.7E+01 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______79_00_5 =  4.2E+02                                  ! [atm] type: C, ref: 2235
Hvpx______79_00_5 =  4.6E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______79_00_5 =  7.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______79_00_5 =  1.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_00_5 =  2.6E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______79_00_5 =  1.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______79_00_5 =  5.0E+01                                  ! [atm] type: Q, ref: 3689
Hvpx______79_00_5 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______79_00_5 =  3.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______79_00_5 =  2.2E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_00_5 =  5.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______79_00_5 =  3.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______79_00_5 =  8.2E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______79_00_5 =  6.3E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______79_00_5 =  2.9E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______79_00_5 =  1.7E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______79_00_5 =  7.2E+01                                  ! [atm] type: Q, ref: 2481
Hvpx______79_00_5 =  4.6E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______79_00_5 =  5.0E+01                                  ! [atm] type: ?, ref: 2612
Hvpx______79_00_5 =  5.1E+01                                  ! [atm] type: ?, ref: 2440
Hvpx______79_00_5 =  8.0E+01                                  ! [atm] type: ?, ref: 3614
Hvpx______79_00_5 =  5.0E+01                                  ! [atm] type: ?, ref: 635
Hvpx______79_00_5 =  5.3E+01                                  ! [atm] type: ?, ref: 789
Hvpx______79_00_5 =  4.7E+01                                  ! [atm] type: ?, ref: 1500

! species:  1,1,2-trichloroethane-d3
! formula:  CDCl_2CD_2Cl
! trivial:  
! casrn:    171086-93-4
! inchikey: UBOXGVDOUJQMTN-FUDHJZNOSA-N
Hvpx__171086_93_4 =  4.2E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,1,1,2-tetrachloroethane
! formula:  CCl_3CH_2Cl
! trivial:  
! casrn:    630-20-6
! inchikey: QVLAWKAXOMEXPM-UHFFFAOYSA-N
Hvpx_____630_20_6 =  1.1E+02 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____630_20_6 =  1.3E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____630_20_6 =  1.3E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____630_20_6 =  1.3E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____630_20_6 =  1.3E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx_____630_20_6 =  2.2E+01 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____630_20_6 =  1.5E+02                                  ! [atm] type: L, ref: 479
Hvpx_____630_20_6 =  1.2E+02 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3681
Hvpx_____630_20_6 =  1.1E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____630_20_6 =  1.3E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____630_20_6 =  1.4E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx_____630_20_6 =  1.2E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx_____630_20_6 =  2.6E+02                                  ! [atm] type: M, ref: 2918
Hvpx_____630_20_6 =  1.4E+02                                  ! [atm] type: V, ref: 2612
Hvpx_____630_20_6 =  1.3E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx_____630_20_6 =  1.3E+02                                  ! [atm] type: V, ref: 635
Hvpx_____630_20_6 =  1.5E+02                                  ! [atm] type: V, ref: 545
Hvpx_____630_20_6 =  1.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____630_20_6 =  4.6E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____630_20_6 =  1.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____630_20_6 =  5.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____630_20_6 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____630_20_6 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____630_20_6 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____630_20_6 =  1.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____630_20_6 =  1.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____630_20_6 =  9.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____630_20_6 =  1.5E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____630_20_6 =  1.2E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____630_20_6 =  4.6E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____630_20_6 =  1.0E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____630_20_6 =  1.4E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____630_20_6 =  1.3E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____630_20_6 =  2.5E+02                                  ! [atm] type: ?, ref: 3614
Hvpx_____630_20_6 =  1.6E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,1,2,2-tetrachloroethane
! formula:  CHCl_2CHCl_2
! trivial:  
! casrn:    79-34-5
! inchikey: QPFMBZIOSGYJDE-UHFFFAOYSA-N
Hvpx______79_34_5 =  2.3E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______79_34_5 =  2.3E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_34_5 =  2.3E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______79_34_5 =  2.3E+01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______79_34_5 =  2.3E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx______79_34_5 =  2.2E+01 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______79_34_5 =  2.6E+01                                  ! [atm] type: L, ref: 479
Hvpx______79_34_5 =  1.6E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______79_34_5 =  1.8E+01                                  ! [atm] type: M, ref: 2450
Hvpx______79_34_5 =  2.4E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______79_34_5 =  1.9E+01                                  ! [atm] type: M, ref: 2457
Hvpx______79_34_5 =  2.5E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx______79_34_5 =  2.1E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx______79_34_5 =  2.5E+01 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______79_34_5 =  2.0E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx______79_34_5 =  3.9E+01                                  ! [atm] type: M, ref: 2918
Hvpx______79_34_5 =  2.6E+01                                  ! [atm] type: V, ref: 2612
Hvpx______79_34_5 =  2.5E+01                                  ! [atm] type: V, ref: 635
Hvpx______79_34_5 =  2.6E+01                                  ! [atm] type: V, ref: 545
Hvpx______79_34_5 =  2.5E+01                                  ! [atm] type: V, ref: 642
Hvpx______79_34_5 =  1.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______79_34_5 =  3.1E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: X, ref: 1147
Hvpx______79_34_5 =  2.4E+01 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______79_34_5 =  2.2E+01                                  ! [atm] type: C, ref: 2235
Hvpx______79_34_5 =  4.6E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______79_34_5 =  3.5E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______79_34_5 =  3.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______79_34_5 =  2.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______79_34_5 =  5.8E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______79_34_5 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______79_34_5 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______79_34_5 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______79_34_5 =  1.9E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______79_34_5 =  2.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______79_34_5 =  9.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______79_34_5 =  2.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______79_34_5 =  4.9E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______79_34_5 =  8.9E+01                                  ! [atm] type: Q, ref: 2482
Hvpx______79_34_5 =  2.0E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______79_34_5 =  1.4E+01                                  ! [atm] type: ?, ref: 2612
Hvpx______79_34_5 =  1.9E+01                                  ! [atm] type: ?, ref: 2440
Hvpx______79_34_5 =  3.8E+01                                  ! [atm] type: ?, ref: 3614
Hvpx______79_34_5 =  1.4E+01                                  ! [atm] type: ?, ref: 635
Hvpx______79_34_5 =  1.8E+01                                  ! [atm] type: ?, ref: 789
Hvpx______79_34_5 =  2.1E+01                                  ! [atm] type: ?, ref: 1500
Hvpx______79_34_5 =  1.8E+01                                  ! [atm] type: ?, ref: 2979

! species:  pentachloroethane
! formula:  CHCl_2CCl_3
! trivial:  
! casrn:    76-01-7
! inchikey: BNIXVQGCZULYKV-UHFFFAOYSA-N
Hvpx______76_01_7 =  1.3E+02 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______76_01_7 =  1.3E+02 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______76_01_7 =  1.2E+02                                  ! [atm] type: L, ref: 479
Hvpx______76_01_7 =  9.3E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______76_01_7 =  1.1E+02                                  ! [atm] type: V, ref: 3586
Hvpx______76_01_7 =  1.1E+02                                  ! [atm] type: V, ref: 3088
Hvpx______76_01_7 =  1.3E+02                                  ! [atm] type: V, ref: 2612
Hvpx______76_01_7 =  1.4E+02                                  ! [atm] type: V, ref: 635
Hvpx______76_01_7 =  1.0E+02                                  ! [atm] type: V, ref: 1145
Hvpx______76_01_7 =  1.4E+02                                  ! [atm] type: V, ref: 545
Hvpx______76_01_7 =  1.4E+02                                  ! [atm] type: V, ref: 642
Hvpx______76_01_7 =  8.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______76_01_7 =  1.4E+02                                  ! [atm] type: Q, ref: 3689
Hvpx______76_01_7 =  2.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx______76_01_7 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______76_01_7 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______76_01_7 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______76_01_7 =  8.9E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______76_01_7 =  1.5E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______76_01_7 =  1.4E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______76_01_7 =  2.9E+01                                  ! [atm] type: Q, ref: 1145
Hvpx______76_01_7 =  5.3E+01                                  ! [atm] type: Q, ref: 2482
Hvpx______76_01_7 =  1.1E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______76_01_7 =  1.0E+02                                  ! [atm] type: ?, ref: 789
Hvpx______76_01_7 =  1.3E+02                                  ! [atm] type: ?, ref: 1500

! species:  hexachloroethane
! formula:  C_2Cl_6
! trivial:  
! casrn:    67-72-1
! inchikey: VHHHONWQHHHLTI-UHFFFAOYSA-N
Hvpx______67_72_1 =  2.0E+02 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______67_72_1 =  2.1E+02 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______67_72_1 =  2.0E+02 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______67_72_1 =  2.2E+02 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______67_72_1 =  4.5E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______67_72_1 =  2.1E+02 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2243
Hvpx______67_72_1 =  1.6E+02                                  ! [atm] type: M, ref: 2903
Hvpx______67_72_1 =  5.5E+02                                  ! [atm] type: M, ref: 2900
Hvpx______67_72_1 =  1.3E+02                                  ! [atm] type: V, ref: 2612
Hvpx______67_72_1 =  1.5E+02                                  ! [atm] type: V, ref: 477
Hvpx______67_72_1 =  3.6E+01                                  ! [atm] type: V, ref: 2439
Hvpx______67_72_1 =  2.5E+03                                  ! [atm] type: V, ref: 2974
Hvpx______67_72_1 =  7.1E+02                                  ! [atm] type: V, ref: 479
Hvpx______67_72_1 =  6.8E+01                                  ! [atm] type: V, ref: 545
Hvpx______67_72_1 =  1.3E+02                                  ! [atm] type: V, ref: 642
Hvpx______67_72_1 =  1.4E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______67_72_1 =  5.5E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______67_72_1 =  5.6E+02                                  ! [atm] type: C, ref: 2235
Hvpx______67_72_1 =  5.5E+02                                  ! [atm] type: C, ref: 3083
Hvpx______67_72_1 =  7.4E+02                                  ! [atm] type: Q, ref: 3730
Hvpx______67_72_1 =  2.2E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______67_72_1 =  2.3E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______67_72_1 =  3.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______67_72_1 =  2.8E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______67_72_1 =  1.4E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______67_72_1 =  1.5E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______67_72_1 =  1.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______67_72_1 =  5.9E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______67_72_1 =  6.8E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______67_72_1 =  2.3E+03                                  ! [atm] type: Q, ref: 3731
Hvpx______67_72_1 =  5.4E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______67_72_1 =  2.2E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______67_72_1 =  4.6E+02                                  ! [atm] type: ?, ref: 2612
Hvpx______67_72_1 =  1.4E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______67_72_1 =  4.6E+02                                  ! [atm] type: ?, ref: 635
Hvpx______67_72_1 =  1.2E+03                                  ! [atm] type: ?, ref: 789

! species:  1-chloropropane
! formula:  C_3H_7Cl
! trivial:  
! casrn:    540-54-5
! inchikey: SNMVRZFUUCLYTO-UHFFFAOYSA-N
Hvpx_____540_54_5 =  7.2E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____540_54_5 =  7.9E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____540_54_5 =  1.3E+03                                  ! [atm] type: M, ref: 2918
Hvpx_____540_54_5 =  7.1E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx_____540_54_5 =  7.3E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____540_54_5 =  7.2E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____540_54_5 =  7.9E+02                                  ! [atm] type: V, ref: 2612
Hvpx_____540_54_5 =  7.7E+02                                  ! [atm] type: V, ref: 635
Hvpx_____540_54_5 =  7.7E+02                                  ! [atm] type: V, ref: 1497
Hvpx_____540_54_5 =  7.4E+02                                  ! [atm] type: V, ref: 642
Hvpx_____540_54_5 =  6.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____540_54_5 =  4.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____540_54_5 =  7.4E+02                                  ! [atm] type: Q, ref: 3689
Hvpx_____540_54_5 =  1.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____540_54_5 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____540_54_5 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____540_54_5 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____540_54_5 =  8.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____540_54_5 =  5.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____540_54_5 =  5.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____540_54_5 =  2.0E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____540_54_5 =  7.4E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____540_54_5 =  4.7E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____540_54_5 =  1.2E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____540_54_5 =  8.7E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____540_54_5 =  7.3E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____540_54_5 =  1.2E+03                                  ! [atm] type: ?, ref: 3614
Hvpx_____540_54_5 =  6.0E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____540_54_5 =  7.8E+02                                  ! [atm] type: ?, ref: 1500

! species:  2-chloropropane
! formula:  C_3H_7Cl
! trivial:  
! casrn:    75-29-6
! inchikey: ULYZAYCEDJDHCC-UHFFFAOYSA-N
Hvpx______75_29_6 =  9.5E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_29_6 =  1.0E+03                                  ! [atm] type: M, ref: 2493
Hvpx______75_29_6 =  9.8E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx______75_29_6 =  9.7E+02                                  ! [atm] type: V, ref: 3586
Hvpx______75_29_6 =  1.0E+03                                  ! [atm] type: V, ref: 3088
Hvpx______75_29_6 =  9.8E+02                                  ! [atm] type: V, ref: 2612
Hvpx______75_29_6 =  1.0E+03                                  ! [atm] type: V, ref: 635
Hvpx______75_29_6 =  8.9E+02                                  ! [atm] type: V, ref: 642
Hvpx______75_29_6 =  8.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_29_6 =  9.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______75_29_6 =  5.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______75_29_6 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_29_6 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_29_6 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_29_6 =  1.1E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______75_29_6 =  9.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_29_6 =  6.8E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______75_29_6 =  8.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______75_29_6 =  8.7E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______75_29_6 =  3.7E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______75_29_6 =  5.8E+02                                  ! [atm] type: Q, ref: 731
Hvpx______75_29_6 =  1.3E+03                                  ! [atm] type: Q, ref: 1162
Hvpx______75_29_6 =  1.1E+03                                  ! [atm] type: Q, ref: 2482
Hvpx______75_29_6 =  9.7E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______75_29_6 =  8.0E+02                                  ! [atm] type: ?, ref: 789
Hvpx______75_29_6 =  8.9E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,1-dichloropropane
! formula:  C_3H_6Cl_2
! trivial:  
! casrn:    78-99-9
! inchikey: WIHMGGWNMISDNJ-UHFFFAOYSA-N
Hvpx______78_99_9 =  2.1E+02                                  ! [atm] type: V, ref: 3586
Hvpx______78_99_9 =  1.6E+02                                  ! [atm] type: V, ref: 3586
Hvpx______78_99_9 =  2.1E+02                                  ! [atm] type: V, ref: 3088
Hvpx______78_99_9 =  2.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______78_99_9 =  2.0E+02                                  ! [atm] type: Q, ref: 3586

! species:  1,2-dichloropropane
! formula:  C_3H_6Cl_2
! trivial:  
! casrn:    78-87-5
! inchikey: KNKRKFALVUDBJE-UHFFFAOYSA-N
Hvpx______78_87_5 =  1.5E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______78_87_5 =  1.6E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______78_87_5 =  1.6E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______78_87_5 =  1.6E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______78_87_5 =  1.6E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______78_87_5 =  1.6E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______78_87_5 =  1.3E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______78_87_5 =  1.3E+02                                  ! [atm] type: M, ref: 2899
Hvpx______78_87_5 =  1.5E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx______78_87_5 =  1.2E+02                                  ! [atm] type: M, ref: 2938
Hvpx______78_87_5 =  1.0E+02                                  ! [atm] type: M, ref: 3646
Hvpx______78_87_5 =  1.2E+02                                  ! [atm] type: M, ref: 2450
Hvpx______78_87_5 =  1.3E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______78_87_5 =  1.5E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx______78_87_5 =  1.4E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx______78_87_5 =  1.8E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx______78_87_5 =  1.4E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______78_87_5 =  1.1E+02                                  ! [atm] type: M, ref: 3946
Hvpx______78_87_5 =  1.6E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx______78_87_5 =  1.6E+02                                  ! [atm] type: M, ref: 2900
Hvpx______78_87_5 =  2.6E+02                                  ! [atm] type: M, ref: 2918
Hvpx______78_87_5 =  1.5E+02                                  ! [atm] type: V, ref: 2612
Hvpx______78_87_5 =  1.5E+02                                  ! [atm] type: V, ref: 635
Hvpx______78_87_5 =  1.5E+02                                  ! [atm] type: V, ref: 2900
Hvpx______78_87_5 =  1.6E+02                                  ! [atm] type: V, ref: 642
Hvpx______78_87_5 =  1.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_87_5 =  1.6E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______78_87_5 =  1.6E+02                                  ! [atm] type: C, ref: 3653
Hvpx______78_87_5 =  1.6E+02                                  ! [atm] type: C, ref: 2235
Hvpx______78_87_5 =  1.6E+02                                  ! [atm] type: C, ref: 3083
Hvpx______78_87_5 =  3.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______78_87_5 =  3.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______78_87_5 =  4.0E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______78_87_5 =  8.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______78_87_5 =  6.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______78_87_5 =  1.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______78_87_5 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______78_87_5 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______78_87_5 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______78_87_5 =  1.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______78_87_5 =  1.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______78_87_5 =  1.5E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______78_87_5 =  1.5E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______78_87_5 =  2.6E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______78_87_5 =  2.0E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______78_87_5 =  4.6E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______78_87_5 =  1.6E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______78_87_5 =  6.4E+02                                  ! [atm] type: ?, ref: 3087
Hvpx______78_87_5 =  1.6E+02                                  ! [atm] type: ?, ref: 2612
Hvpx______78_87_5 =  1.6E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______78_87_5 =  2.5E+02                                  ! [atm] type: ?, ref: 3614
Hvpx______78_87_5 =  1.6E+02                                  ! [atm] type: ?, ref: 635
Hvpx______78_87_5 =  1.5E+02                                  ! [atm] type: ?, ref: 789
Hvpx______78_87_5 =  1.6E+02                                  ! [atm] type: ?, ref: 1500
Hvpx______78_87_5 =  1.1E+02                                  ! [atm] type: ?, ref: 2233
Hvpx______78_87_5 =  9.3E+01                                  ! [atm] type: ?, ref: 2979

! species:  1,2-dichloropropane-d6
! formula:  C_3D_6Cl_2
! trivial:  
! casrn:    93952-08-0
! inchikey: KNKRKFALVUDBJE-LIDOUZCJSA-N
Hvpx___93952_08_0 =  1.5E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,3-dichloropropane
! formula:  C_3H_6Cl_2
! trivial:  
! casrn:    142-28-9
! inchikey: YHRUOJUYPBUZOS-UHFFFAOYSA-N
Hvpx_____142_28_9 =  5.4E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____142_28_9 =  5.4E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____142_28_9 =  4.7E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____142_28_9 =  4.2E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____142_28_9 =  5.1E+01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____142_28_9 =  6.4E+01                                  ! [atm] type: M, ref: 3946
Hvpx_____142_28_9 =  5.4E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx_____142_28_9 =  5.5E+01                                  ! [atm] type: V, ref: 642
Hvpx_____142_28_9 =  3.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____142_28_9 =  1.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____142_28_9 =  3.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____142_28_9 =  9.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____142_28_9 =  9.8E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____142_28_9 =  1.8E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____142_28_9 =  3.9E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____142_28_9 =  5.4E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____142_28_9 =  5.5E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____142_28_9 =  5.5E+01                                  ! [atm] type: ?, ref: 789
Hvpx_____142_28_9 =  5.5E+01                                  ! [atm] type: ?, ref: 1500

! species:  2,2-dichloropropane
! formula:  C_3H_6Cl_2
! trivial:  
! casrn:    594-20-7
! inchikey: ZEOVXNVKXIPWMS-UHFFFAOYSA-N
Hvpx_____594_20_7 =  1.2E+03 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____594_20_7 =  6.7E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2923
Hvpx_____594_20_7 =  7.7E+02 * EXP(   -630.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904

! species:  1,1,1-trichloropropane
! formula:  C_3H_5Cl_3
! trivial:  
! casrn:    7789-89-1
! inchikey: AVGQTJUPLKNPQP-UHFFFAOYSA-N
Hvpx____7789_89_1 =  1.8E+02                                  ! [atm] type: V, ref: 3586
Hvpx____7789_89_1 =  1.5E+02                                  ! [atm] type: X, ref: yaws2005
Hvpx____7789_89_1 =  4.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____7789_89_1 =  5.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx____7789_89_1 =  1.7E+02                                  ! [atm] type: Q, ref: 2535
Hvpx____7789_89_1 =  8.3E+02                                  ! [atm] type: Q, ref: 3764

! species:  1,1,2-trichloropropane
! formula:  C_3H_5Cl_3
! trivial:  
! casrn:    598-77-6
! inchikey: GRSQYISVQKPZCW-UHFFFAOYSA-N
Hvpx_____598_77_6 =  1.8E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____598_77_6 =  3.8E+01                                  ! [atm] type: X, ref: yaws2005
Hvpx_____598_77_6 =  1.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____598_77_6 =  6.9E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____598_77_6 =  1.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____598_77_6 =  2.2E+02                                  ! [atm] type: Q, ref: 3764

! species:  1,2,3-trichloropropane
! formula:  C_3H_5Cl_3
! trivial:  
! casrn:    96-18-4
! inchikey: CFXQEHVMCRXUSD-UHFFFAOYSA-N
Hvpx______96_18_4 =  1.5E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______96_18_4 =  1.5E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______96_18_4 =  1.7E+01 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______96_18_4 =  1.5E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______96_18_4 =  1.6E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______96_18_4 =  1.3E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______96_18_4 =  2.0E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______96_18_4 =  1.2E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 598
Hvpx______96_18_4 =  1.7E+01                                  ! [atm] type: M, ref: 3946
Hvpx______96_18_4 =  1.9E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx______96_18_4 =  2.1E+01                                  ! [atm] type: V, ref: 2612
Hvpx______96_18_4 =  2.1E+01                                  ! [atm] type: V, ref: 635
Hvpx______96_18_4 =  1.8E+01                                  ! [atm] type: V, ref: 545
Hvpx______96_18_4 =  2.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______96_18_4 =  2.5E+01                                  ! [atm] type: X, ref: yaws2005
Hvpx______96_18_4 =  3.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______96_18_4 =  1.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______96_18_4 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______96_18_4 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______96_18_4 =  2.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______96_18_4 =  2.5E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______96_18_4 =  1.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______96_18_4 =  3.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______96_18_4 =  1.9E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______96_18_4 =  1.4E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______96_18_4 =  1.9E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______96_18_4 =  2.1E+01                                  ! [atm] type: ?, ref: 2440
Hvpx______96_18_4 =  1.9E+01                                  ! [atm] type: ?, ref: 789

! species:  1,1,2,2,3-pentachloropropane
! formula:  C_3H_3Cl_5
! trivial:  
! casrn:    16714-68-4
! inchikey: IYFMQUDCYNWFTL-UHFFFAOYSA-N
Hvpx___16714_68_4 =  3.9E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___16714_68_4 =  7.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___16714_68_4 =  8.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___16714_68_4 =  6.3E+01                                  ! [atm] type: Q, ref: 2995

! species:  1-chloro-2-methylpropane
! formula:  C_4H_9Cl
! trivial:  
! casrn:    513-36-0
! inchikey: QTBFPMKWQKYFLR-UHFFFAOYSA-N
Hvpx_____513_36_0 =  6.6E+01                                  ! [atm] type: L, ref: 479
Hvpx_____513_36_0 =  1.1E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____513_36_0 =  1.1E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____513_36_0 =  1.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____513_36_0 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____513_36_0 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____513_36_0 =  7.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____513_36_0 =  6.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____513_36_0 =  6.3E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____513_36_0 =  8.7E+02                                  ! [atm] type: ?, ref: 789

! species:  2-chloro-2-methylpropane
! formula:  C_4H_9Cl
! trivial:  {\it tert}-butyl chloride
! casrn:    507-20-0
! inchikey: NBRKLOOSMBRFMH-UHFFFAOYSA-N
Hvpx_____507_20_0 =  3.4E+03 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3658
Hvpx_____507_20_0 =  7.1E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____507_20_0 =  4.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____507_20_0 =  2.5E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____507_20_0 =  5.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____507_20_0 =  1.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____507_20_0 =  2.2E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____507_20_0 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____507_20_0 =  4.7E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____507_20_0 =  2.5E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____507_20_0 =  8.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____507_20_0 =  8.0E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____507_20_0 =  1.7E+03                                  ! [atm] type: Q, ref: 984
Hvpx_____507_20_0 =  7.0E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____507_20_0 =  8.5E+03                                  ! [atm] type: ?, ref: 1500

! species:  1-chlorobutane
! formula:  C_4H_9Cl
! trivial:  butyl chloride
! casrn:    109-69-3
! inchikey: VFWCMGCRMGJXDK-UHFFFAOYSA-N
Hvpx_____109_69_3 =  9.7E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____109_69_3 =  8.1E+02                                  ! [atm] type: M, ref: 2938
Hvpx_____109_69_3 =  1.0E+03                                  ! [atm] type: M, ref: 2493
Hvpx_____109_69_3 =  9.3E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx_____109_69_3 =  1.6E+03                                  ! [atm] type: M, ref: 2918
Hvpx_____109_69_3 =  1.1E+03                                  ! [atm] type: V, ref: 2612
Hvpx_____109_69_3 =  1.1E+03                                  ! [atm] type: V, ref: 635
Hvpx_____109_69_3 =  1.0E+03                                  ! [atm] type: V, ref: 1497
Hvpx_____109_69_3 =  1.1E+03                                  ! [atm] type: V, ref: 642
Hvpx_____109_69_3 =  9.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_69_3 =  1.2E+03                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_69_3 =  4.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_69_3 =  1.8E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____109_69_3 =  1.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_69_3 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_69_3 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_69_3 =  1.2E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____109_69_3 =  6.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_69_3 =  6.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_69_3 =  8.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_69_3 =  2.8E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____109_69_3 =  1.0E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_69_3 =  4.0E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_69_3 =  4.2E+02                                  ! [atm] type: Q, ref: 731
Hvpx_____109_69_3 =  1.5E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____109_69_3 =  1.1E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____109_69_3 =  9.2E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____109_69_3 =  8.4E+02                                  ! [atm] type: ?, ref: 2612
Hvpx_____109_69_3 =  9.2E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____109_69_3 =  1.6E+03                                  ! [atm] type: ?, ref: 3614
Hvpx_____109_69_3 =  8.4E+02                                  ! [atm] type: ?, ref: 635
Hvpx_____109_69_3 =  9.8E+02                                  ! [atm] type: ?, ref: 637
Hvpx_____109_69_3 =  9.4E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____109_69_3 =  1.0E+03                                  ! [atm] type: ?, ref: 1500

! species:  2-chlorobutane
! formula:  C_4H_9Cl
! trivial:  {\it sec}-butyl chloride
! casrn:    78-86-4
! inchikey: BSPCSKHALVHRSR-UHFFFAOYSA-N
Hvpx______78_86_4 =  1.3E+03 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______78_86_4 =  1.3E+03 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx______78_86_4 =  1.0E+03                                  ! [atm] type: V, ref: 2612
Hvpx______78_86_4 =  1.0E+03                                  ! [atm] type: V, ref: 635
Hvpx______78_86_4 =  1.1E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_86_4 =  1.2E+03                                  ! [atm] type: Q, ref: 3730
Hvpx______78_86_4 =  9.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______78_86_4 =  1.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______78_86_4 =  1.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______78_86_4 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______78_86_4 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______78_86_4 =  1.5E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______78_86_4 =  8.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______78_86_4 =  6.7E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______78_86_4 =  1.3E+03                                  ! [atm] type: Q, ref: 2535
Hvpx______78_86_4 =  4.3E+03                                  ! [atm] type: Q, ref: 3731
Hvpx______78_86_4 =  1.2E+03                                  ! [atm] type: Q, ref: 2543
Hvpx______78_86_4 =  2.8E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______78_86_4 =  1.3E+03                                  ! [atm] type: Q, ref: 984
Hvpx______78_86_4 =  1.3E+03                                  ! [atm] type: ?, ref: 3586
Hvpx______78_86_4 =  1.2E+03                                  ! [atm] type: ?, ref: 2612
Hvpx______78_86_4 =  1.1E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______78_86_4 =  1.2E+03                                  ! [atm] type: ?, ref: 635
Hvpx______78_86_4 =  1.0E+03                                  ! [atm] type: ?, ref: 789
Hvpx______78_86_4 =  1.4E+03                                  ! [atm] type: ?, ref: 1500

! species:  1,1-dichlorobutane
! formula:  C_4H_8Cl_2
! trivial:  
! casrn:    541-33-3
! inchikey: SEQRDAAUNCRFIT-UHFFFAOYSA-N
Hvpx_____541_33_3 =  4.2E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____541_33_3 =  4.2E+02                                  ! [atm] type: V, ref: 642
Hvpx_____541_33_3 =  2.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____541_33_3 =  2.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____541_33_3 =  5.9E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____541_33_3 =  4.0E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____541_33_3 =  3.4E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____541_33_3 =  4.1E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____541_33_3 =  5.9E+02                                  ! [atm] type: Q, ref: 2482

! species:  1,4-dichlorobutane
! formula:  C_4H_8Cl_2
! trivial:  
! casrn:    110-56-5
! inchikey: KJDRSWPQXHESDQ-UHFFFAOYSA-N
Hvpx_____110_56_5 =  2.8E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____110_56_5 =  4.5E+01                                  ! [atm] type: M, ref: 3946
Hvpx_____110_56_5 =  2.7E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx_____110_56_5 =  2.5E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____110_56_5 =  1.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_56_5 =  2.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_56_5 =  1.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_56_5 =  2.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_56_5 =  2.8E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_56_5 =  1.4E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_56_5 =  4.9E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____110_56_5 =  2.7E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____110_56_5 =  2.7E+01                                  ! [atm] type: ?, ref: 1500

! species:  2,3-dichlorobutane
! formula:  C_4H_8Cl_2
! trivial:  
! casrn:    7581-97-7
! inchikey: RMISVOPUIFJTEO-UHFFFAOYSA-N
Hvpx____7581_97_7 =  4.0E+02                                  ! [atm] type: V, ref: 3586
Hvpx____7581_97_7 =  2.2E+02                                  ! [atm] type: X, ref: yaws2005
Hvpx____7581_97_7 =  6.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____7581_97_7 =  2.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx____7581_97_7 =  2.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx____7581_97_7 =  4.0E+02                                  ! [atm] type: Q, ref: 2535
Hvpx____7581_97_7 =  1.7E+02                                  ! [atm] type: Q, ref: 3764

! species:  1-chloropentane
! formula:  C_5H_{11}Cl
! trivial:  
! casrn:    543-59-9
! inchikey: SQCZQTSHSZLZIQ-UHFFFAOYSA-N
Hvpx_____543_59_9 =  1.3E+03 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____543_59_9 =  1.3E+03                                  ! [atm] type: M, ref: 2493
Hvpx_____543_59_9 =  1.3E+03 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx_____543_59_9 =  2.0E+03                                  ! [atm] type: M, ref: 2918
Hvpx_____543_59_9 =  1.2E+03                                  ! [atm] type: V, ref: 2612
Hvpx_____543_59_9 =  1.2E+03                                  ! [atm] type: V, ref: 635
Hvpx_____543_59_9 =  1.2E+03                                  ! [atm] type: V, ref: 1497
Hvpx_____543_59_9 =  1.3E+03                                  ! [atm] type: V, ref: 2388
Hvpx_____543_59_9 =  1.2E+03                                  ! [atm] type: V, ref: 642
Hvpx_____543_59_9 =  2.9E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____543_59_9 =  9.2E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____543_59_9 =  4.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____543_59_9 =  2.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____543_59_9 =  1.9E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____543_59_9 =  7.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____543_59_9 =  7.7E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____543_59_9 =  1.3E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____543_59_9 =  1.3E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____543_59_9 =  3.4E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____543_59_9 =  2.0E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____543_59_9 =  1.4E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____543_59_9 =  1.3E+03                                  ! [atm] type: ?, ref: 3586
Hvpx_____543_59_9 =  1.3E+03                                  ! [atm] type: ?, ref: 2612
Hvpx_____543_59_9 =  2.9E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____543_59_9 =  2.0E+03                                  ! [atm] type: ?, ref: 3614
Hvpx_____543_59_9 =  1.3E+03                                  ! [atm] type: ?, ref: 635
Hvpx_____543_59_9 =  2.7E+03                                  ! [atm] type: ?, ref: 789
Hvpx_____543_59_9 =  1.2E+03                                  ! [atm] type: ?, ref: 1500

! species:  2-chloropentane
! formula:  C_5H_{11}Cl
! trivial:  
! casrn:    625-29-6
! inchikey: NFRKUDYZEVQXTE-UHFFFAOYSA-N
Hvpx_____625_29_6 =  8.1E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____625_29_6 =  1.5E+03                                  ! [atm] type: V, ref: 642
Hvpx_____625_29_6 =  9.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____625_29_6 =  1.1E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____625_29_6 =  9.0E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____625_29_6 =  8.2E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____625_29_6 =  1.5E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____625_29_6 =  2.5E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____625_29_6 =  2.2E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____625_29_6 =  1.7E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____625_29_6 =  1.5E+03                                  ! [atm] type: ?, ref: 1500

! species:  3-chloropentane
! formula:  C_5H_{11}Cl
! trivial:  
! casrn:    616-20-6
! inchikey: CXQSCYIVCSCSES-UHFFFAOYSA-N
Hvpx_____616_20_6 =  1.4E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____616_20_6 =  1.5E+03                                  ! [atm] type: V, ref: 1145
Hvpx_____616_20_6 =  1.5E+03                                  ! [atm] type: V, ref: 642
Hvpx_____616_20_6 =  9.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____616_20_6 =  1.2E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____616_20_6 =  9.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____616_20_6 =  1.2E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____616_20_6 =  2.1E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____616_20_6 =  1.4E+03                                  ! [atm] type: Q, ref: 1145
Hvpx_____616_20_6 =  1.6E+03                                  ! [atm] type: Q, ref: 2482
Hvpx_____616_20_6 =  1.5E+03                                  ! [atm] type: ?, ref: 1500

! species:  1,2-dichloropentane
! formula:  C_5H_{10}Cl_2
! trivial:  
! casrn:    1674-33-5
! inchikey: PPLBPDUKNRCHGG-UHFFFAOYSA-N
Hvpx____1674_33_5 =  1.1E+02                                  ! [atm] type: X, ref: yaws2005
Hvpx____1674_33_5 =  1.8E+02                                  ! [atm] type: Q, ref: 2521

! species:  1,5-dichloropentane
! formula:  C_5H_{10}Cl_2
! trivial:  
! casrn:    628-76-2
! inchikey: LBKDGROORAKTLC-UHFFFAOYSA-N
Hvpx_____628_76_2 =  5.3E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____628_76_2 =  3.1E+01 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx_____628_76_2 =  1.9E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____628_76_2 =  1.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____628_76_2 =  2.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____628_76_2 =  1.5E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____628_76_2 =  3.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____628_76_2 =  1.3E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____628_76_2 =  3.1E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,3-dichloropentane
! formula:  C_5H_{10}Cl_2
! trivial:  
! casrn:    600-11-3
! inchikey: HVFJQRZGBBKTPL-UHFFFAOYSA-N
Hvpx_____600_11_3 =  1.9E+02                                  ! [atm] type: X, ref: yaws2005
Hvpx_____600_11_3 =  2.0E+02                                  ! [atm] type: Q, ref: 2521

! species:  2-chloro-2-methylbutane
! formula:  C_5H_{11}Cl
! trivial:  
! casrn:    594-36-5
! inchikey: CRNIHJHMEQZAAS-UHFFFAOYSA-N
Hvpx_____594_36_5 =  1.8E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____594_36_5 =  1.8E+02                                  ! [atm] type: ?, ref: 789

! species:  1-chlorohexane
! formula:  C_6H_{13}Cl
! trivial:  
! casrn:    544-10-5
! inchikey: MLRVZFYXUZQSRU-UHFFFAOYSA-N
Hvpx_____544_10_5 =  1.8E+03                                  ! [atm] type: M, ref: 2493
Hvpx_____544_10_5 =  1.3E+03 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx_____544_10_5 =  6.8E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____544_10_5 =  4.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____544_10_5 =  8.9E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____544_10_5 =  8.9E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____544_10_5 =  1.6E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____544_10_5 =  1.8E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____544_10_5 =  3.2E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____544_10_5 =  1.8E+03                                  ! [atm] type: Q, ref: 984
Hvpx_____544_10_5 =  1.3E+03                                  ! [atm] type: ?, ref: 3586
Hvpx_____544_10_5 =  1.4E+03                                  ! [atm] type: ?, ref: 1500

! species:  2-chlorohexane
! formula:  C_6H_{13}Cl
! trivial:  
! casrn:    638-28-8
! inchikey: GLCIPJOIEVLTPR-UHFFFAOYSA-N
Hvpx_____638_28_8 =  1.1E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx_____638_28_8 =  1.3E+03                                  ! [atm] type: Q, ref: 2521

! species:  3-chlorohexane
! formula:  C_6H_{13}Cl
! trivial:  
! casrn:    2346-81-8
! inchikey: BXSMMAVTEURRGG-UHFFFAOYSA-N
Hvpx____2346_81_8 =  1.1E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx____2346_81_8 =  1.1E+03                                  ! [atm] type: Q, ref: 2521

! species:  1-chloroheptane
! formula:  C_7H_{15}Cl
! trivial:  
! casrn:    629-06-1
! inchikey: DZMDPHNGKBEVRE-UHFFFAOYSA-N
Hvpx_____629_06_1 =  2.2E+03                                  ! [atm] type: V, ref: 1497
Hvpx_____629_06_1 =  1.1E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____629_06_1 =  1.1E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____629_06_1 =  2.4E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____629_06_1 =  2.2E+03                                  ! [atm] type: Q, ref: 984
Hvpx_____629_06_1 =  2.2E+03                                  ! [atm] type: ?, ref: 1500

! species:  2-chloroheptane
! formula:  C_7H_{15}Cl
! trivial:  
! casrn:    1001-89-4
! inchikey: PTSLUOSUHFGQHV-UHFFFAOYSA-N
Hvpx____1001_89_4 =  1.4E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx____1001_89_4 =  1.6E+03                                  ! [atm] type: Q, ref: 2521

! species:  3-chloroheptane
! formula:  C_7H_{15}Cl
! trivial:  
! casrn:    999-52-0
! inchikey: DMKNOEJJJSHSML-UHFFFAOYSA-N
Hvpx_____999_52_0 =  1.5E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx_____999_52_0 =  1.6E+03                                  ! [atm] type: Q, ref: 2521

! species:  4-chloroheptane
! formula:  C_7H_{15}Cl
! trivial:  
! casrn:    998-95-8
! inchikey: MGSGWAXIEMEWCQ-UHFFFAOYSA-N
Hvpx_____998_95_8 =  1.5E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx_____998_95_8 =  1.6E+03                                  ! [atm] type: Q, ref: 2521

! species:  1-chlorooctane
! formula:  C_8H_{17}Cl
! trivial:  
! casrn:    111-85-3
! inchikey: CNDHHGUSRIZDSL-UHFFFAOYSA-N
Hvpx_____111_85_3 =  2.1E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____111_85_3 =  2.9E+03 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2554
Hvpx_____111_85_3 =  2.1E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx_____111_85_3 =  4.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_85_3 =  3.3E+03                                  ! [atm] type: Q, ref: 3088
Hvpx_____111_85_3 =  1.3E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_85_3 =  2.1E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_85_3 =  3.1E+02                                  ! [atm] type: Q, ref: 3764

! species:  2-chlorooctane
! formula:  C_8H_{17}Cl
! trivial:  
! casrn:    628-61-5
! inchikey: HKDCIIMOALDWHF-UHFFFAOYSA-N
Hvpx_____628_61_5 =  2.0E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx_____628_61_5 =  1.8E+03                                  ! [atm] type: Q, ref: 2521

! species:  3-(chloromethyl)-heptane
! formula:  C_8H_{17}Cl
! trivial:  
! casrn:    123-04-6
! inchikey: WLVCBAMXYMWGLJ-UHFFFAOYSA-N
Hvpx_____123_04_6 =  1.2E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____123_04_6 =  1.1E+03                                  ! [atm] type: Q, ref: 2530

! species:  1,8-dichlorooctane
! formula:  C_8H_{16}Cl_2
! trivial:  
! casrn:    2162-99-4
! inchikey: WXYMNDFVLNUAIA-UHFFFAOYSA-N
Hvpx____2162_99_4 =  7.7E+01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2122

! species:  1-chlorononane
! formula:  C_9H_{19}Cl
! trivial:  
! casrn:    2473-01-0
! inchikey: RKAMCQVGHFRILV-UHFFFAOYSA-N
Hvpx____2473_01_0 =  3.3E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx____2473_01_0 =  1.6E+03                                  ! [atm] type: Q, ref: 2521

! species:  2-chlorononane
! formula:  C_9H_{19}Cl
! trivial:  
! casrn:    2216-36-6
! inchikey: DTWJISBCMBWFNY-UHFFFAOYSA-N
Hvpx____2216_36_6 =  2.0E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx____2216_36_6 =  1.8E+03                                  ! [atm] type: Q, ref: 2521

! species:  5-chlorononane
! formula:  C_9H_{19}Cl
! trivial:  
! casrn:    28123-70-8
! inchikey: GHLDSOWZIOPMTC-UHFFFAOYSA-N
Hvpx___28123_70_8 =  2.5E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx___28123_70_8 =  2.1E+03                                  ! [atm] type: Q, ref: 2521

! species:  1-chlorodecane
! formula:  C_{10}H_{21}Cl
! trivial:  
! casrn:    1002-69-3
! inchikey: ZTEHOZMYMCEYRM-UHFFFAOYSA-N
Hvpx____1002_69_3 =  3.3E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx____1002_69_3 =  2.1E+03                                  ! [atm] type: Q, ref: 2521

! species:  1,10-dichlorodecane
! formula:  C_{10}H_{20}Cl_2
! trivial:  
! casrn:    2162-98-3
! inchikey: RBBNTRDPSVZESY-UHFFFAOYSA-N
Hvpx____2162_98_3 =  2.7E+02                                  ! [atm] type: V, ref: 982
Hvpx____2162_98_3 =  1.0E+02                                  ! [atm] type: Q, ref: 2521

! species:  1,2,9,10-tetrachlorodecane
! formula:  C_{10}H_{18}Cl_4
! trivial:  
! casrn:    205646-11-3
! inchikey: VXBHNYIEBLRXAW-UHFFFAOYSA-N
Hvpx__205646_11_3 =  9.7E+00                                  ! [atm] type: M, ref: 982
Hvpx__205646_11_3 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx__205646_11_3 =  1.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx__205646_11_3 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx__205646_11_3 =  4.0E+01                                  ! [atm] type: Q, ref: 2521

! species:  pentachlorodecane isomers
! formula:  C_{10}H_{17}Cl_5
! trivial:  
! casrn:    175801-37-3
! inchikey: AMKBEJYNNQNKGD-UHFFFAOYSA-N
Hvpx__175801_37_3 =  2.7E+00                                  ! [atm] type: M, ref: 982
Hvpx__175801_37_3 =  1.4E+00                                  ! [atm] type: M, ref: 982

! species:  1-chloroundecane
! formula:  C_{11}H_{23}Cl
! trivial:  
! casrn:    2473-03-2
! inchikey: ZHKKNUKCXPWZOP-UHFFFAOYSA-N
Hvpx____2473_03_2 =  3.2E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx____2473_03_2 =  2.4E+03                                  ! [atm] type: Q, ref: 2521

! species:  1,2,10,11-tetrachloroundecane
! formula:  C_{11}H_{20}Cl_4
! trivial:  
! casrn:    210049-49-3
! inchikey: VVAAXDBMZVCVPA-UHFFFAOYSA-N
Hvpx__210049_49_3 =  3.5E+00                                  ! [atm] type: M, ref: 982
Hvpx__210049_49_3 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx__210049_49_3 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx__210049_49_3 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx__210049_49_3 =  5.0E+01                                  ! [atm] type: Q, ref: 2521

! species:  pentachloroundecane isomers
! formula:  C_{11}H_{19}Cl_5
! trivial:  
! casrn:    210175-48-7
! inchikey: BBCUCNDIXLWBNQ-UHFFFAOYSA-N
Hvpx__210175_48_7 =  8.0E-01                                  ! [atm] type: M, ref: 982
Hvpx__210175_48_7 =  3.7E-01                                  ! [atm] type: M, ref: 982

! species:  1-chlorododecane
! formula:  C_{12}H_{25}Cl
! trivial:  
! casrn:    112-52-7
! inchikey: YAYNEUUHHLGGAH-UHFFFAOYSA-N
Hvpx_____112_52_7 =  2.4E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx_____112_52_7 =  2.9E+03                                  ! [atm] type: Q, ref: 2521

! species:  1,12-dichlorododecane
! formula:  C_{12}H_{24}Cl_2
! trivial:  
! casrn:    3922-28-9
! inchikey: RNXPZVYZVHJVHM-UHFFFAOYSA-N
Hvpx____3922_28_9 =  3.5E+02                                  ! [atm] type: V, ref: 982
Hvpx____3922_28_9 =  1.7E+02                                  ! [atm] type: Q, ref: 2521

! species:  1-chlorotridecane
! formula:  C_{13}H_{27}Cl
! trivial:  
! casrn:    822-13-9
! inchikey: ASZMYJSJEOGSBR-UHFFFAOYSA-N
Hvpx_____822_13_9 =  1.9E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx_____822_13_9 =  3.9E+03                                  ! [atm] type: Q, ref: 2521

! species:  1-chlorotetradecane
! formula:  C_{14}H_{29}Cl
! trivial:  
! casrn:    2425-54-9
! inchikey: RNHWYOLIEJIAMV-UHFFFAOYSA-N
Hvpx____2425_54_9 =  1.4E+03                                  ! [atm] type: X, ref: yaws2005
Hvpx____2425_54_9 =  4.5E+03                                  ! [atm] type: Q, ref: 2521

! species:  tetrachlorocyclopentane
! formula:  C_5H_6Cl_4
! trivial:  
! casrn:    59808-78-5
! inchikey: ZFMWDTNZPKDVBU-UHFFFAOYSA-N
Hvpx___59808_78_5 =  8.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___59808_78_5 =  1.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___59808_78_5 =  3.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___59808_78_5 =  1.9E+01                                  ! [atm] type: Q, ref: 2995

! species:  1,1,2,3,3,4-hexachlorocyclopentane
! formula:  C_5H_4Cl_6
! trivial:  
! casrn:    68258-91-3
! inchikey: RPUFWOAXMFQSDJ-UHFFFAOYSA-N
Hvpx___68258_91_3 =  1.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___68258_91_3 =  2.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68258_91_3 =  3.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___68258_91_3 =  2.5E+01                                  ! [atm] type: Q, ref: 2995

! species:  1,1,2,3,3,4,5-heptachlorocyclopentane
! formula:  C_5H_3Cl_7
! trivial:  
! casrn:    68258-90-2
! inchikey: XCEUTYGYMGYCBG-UHFFFAOYSA-N
Hvpx___68258_90_2 =  3.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68258_90_2 =  6.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___68258_90_2 =  3.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___68258_90_2 =  6.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  1,2,3,3,4,5-hexachlorocyclopentene
! formula:  C_5H_2Cl_6
! trivial:  
! casrn:    UNKNOWN
! inchikey: OSRFTCIVMWPVNP-UHFFFAOYSA-N
Hvpx_OSRFTCIVMWPVNP_UHFFFAOYSA_N =  3.9E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_OSRFTCIVMWPVNP_UHFFFAOYSA_N =  1.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_OSRFTCIVMWPVNP_UHFFFAOYSA_N =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_OSRFTCIVMWPVNP_UHFFFAOYSA_N =  8.5E+00                                  ! [atm] type: Q, ref: 2995

! species:  heptachlorocyclopentene
! formula:  C_5HCl_7
! trivial:  
! casrn:    62111-47-1
! inchikey: AJUXFTIOMRYFRL-UHFFFAOYSA-N
Hvpx___62111_47_1 =  1.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___62111_47_1 =  1.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___62111_47_1 =  6.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___62111_47_1 =  1.0E+01                                  ! [atm] type: Q, ref: 2995

! species:  chlorocyclohexane
! formula:  C_6H_{11}Cl
! trivial:  
! casrn:    542-18-7
! inchikey: UNFUYWDGSFDHCW-UHFFFAOYSA-N
Hvpx_____542_18_7 =  2.0E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2923
Hvpx_____542_18_7 =  1.7E+02                                  ! [atm] type: Q, ref: 2521

! species:  $\alpha$-1,2,3,4,5,6-hexachlorocyclohexane
! formula:  C_6H_6Cl_6
! trivial:  $\alpha$-lindane; $\alpha$-HCH
! casrn:    319-84-6
! inchikey: JLYXXMFPNIAWKQ-SHFUYGGZSA-N
Hvpx_____319_84_6 =  3.6E-01                                  ! [atm] type: L, ref: 2978
Hvpx_____319_84_6 =  4.0E-01                                  ! [atm] type: L, ref: 2978
Hvpx_____319_84_6 =  1.8E-01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx_____319_84_6 =  3.1E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2216
Hvpx_____319_84_6 =  6.8E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____319_84_6 =  4.2E-01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1152
Hvpx_____319_84_6 =  1.3E+00                                  ! [atm] type: M, ref: 1926
Hvpx_____319_84_6 =  4.8E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____319_84_6 =  6.0E-01                                  ! [atm] type: V, ref: 2974
Hvpx_____319_84_6 =  2.3E-01                                  ! [atm] type: V, ref: 2977
Hvpx_____319_84_6 =  4.8E-01                                  ! [atm] type: V, ref: 1157
Hvpx_____319_84_6 =  9.3E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx_____319_84_6 =  3.0E-01                                  ! [atm] type: C, ref: 1157
Hvpx_____319_84_6 =  1.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____319_84_6 =  7.1E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____319_84_6 =  1.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____319_84_6 =  1.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____319_84_6 =  5.1E-01                                  ! [atm] type: Q, ref: 2530

! species:  $\beta$-1,2,3,4,5,6-hexachlorocyclohexane
! formula:  C_6H_6Cl_6
! trivial:  $\beta$-lindane; $\beta$-HCH
! casrn:    319-85-7
! inchikey: JLYXXMFPNIAWKQ-CDRYSYESSA-N
Hvpx_____319_85_7 =  2.0E-02                                  ! [atm] type: L, ref: 2978
Hvpx_____319_85_7 =  2.0E-02                                  ! [atm] type: L, ref: 2978
Hvpx_____319_85_7 =  2.0E-02 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2216
Hvpx_____319_85_7 =  2.4E-02                                  ! [atm] type: M, ref: 1195
Hvpx_____319_85_7 =  6.3E-02                                  ! [atm] type: V, ref: 2614
Hvpx_____319_85_7 =  3.8E-02                                  ! [atm] type: V, ref: 2974
Hvpx_____319_85_7 =  6.6E-02                                  ! [atm] type: V, ref: 1157
Hvpx_____319_85_7 =  9.8E-03                                  ! [atm] type: C, ref: 1157
Hvpx_____319_85_7 =  8.1E-01                                  ! [atm] type: C, ref: 2235
Hvpx_____319_85_7 =  9.4E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____319_85_7 =  1.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____319_85_7 =  5.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____319_85_7 =  2.4E-02                                  ! [atm] type: ?, ref: 3586

! species:  $\gamma$-1,2,3,4,5,6-hexachlorocyclohexane
! formula:  C_6H_6Cl_6
! trivial:  $\gamma$-lindane; lindane; $\gamma$-HCH
! casrn:    58-89-9
! inchikey: JLYXXMFPNIAWKQ-GNIYUCBRSA-N
Hvpx______58_89_9 =  1.5E-01                                  ! [atm] type: L, ref: 2978
Hvpx______58_89_9 =  1.7E-01                                  ! [atm] type: L, ref: 2978
Hvpx______58_89_9 =  1.7E-01                                  ! [atm] type: L, ref: 479
Hvpx______58_89_9 =  1.8E-01                                  ! [atm] type: M, ref: 3404
Hvpx______58_89_9 =  1.4E-01 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx______58_89_9 =  9.1E-02 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1942
Hvpx______58_89_9 =  1.3E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2216
Hvpx______58_89_9 =  2.8E-01                                  ! [atm] type: M, ref: 1195
Hvpx______58_89_9 =  1.9E-01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1152
Hvpx______58_89_9 =  1.1E-01                                  ! [atm] type: M, ref: 901
Hvpx______58_89_9 =  1.1E-01                                  ! [atm] type: M, ref: 900
Hvpx______58_89_9 =  8.1E-02                                  ! [atm] type: V, ref: 2614
Hvpx______58_89_9 =  1.6E-01                                  ! [atm] type: V, ref: 2967
Hvpx______58_89_9 =  5.5E-02                                  ! [atm] type: V, ref: 2974
Hvpx______58_89_9 =  9.3E-02                                  ! [atm] type: V, ref: 2977
Hvpx______58_89_9 =  1.5E-01                                  ! [atm] type: V, ref: 2975
Hvpx______58_89_9 =  7.1E-02                                  ! [atm] type: V, ref: 1157
Hvpx______58_89_9 =  8.2E-01                                  ! [atm] type: V, ref: 2976
Hvpx______58_89_9 =  6.9E-02                                  ! [atm] type: V, ref: 2968
Hvpx______58_89_9 =  1.7E-01                                  ! [atm] type: V, ref: 2979
Hvpx______58_89_9 =  2.7E-02                                  ! [atm] type: V, ref: 2471
Hvpx______58_89_9 =  8.8E+00 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx______58_89_9 =  1.8E-02                                  ! [atm] type: X, ref: mccarty80
Hvpx______58_89_9 =  2.7E-02                                  ! [atm] type: C, ref: 1157
Hvpx______58_89_9 =  1.1E-01                                  ! [atm] type: C, ref: 1157
Hvpx______58_89_9 =  4.0E-01                                  ! [atm] type: C, ref: 1157
Hvpx______58_89_9 =  9.4E-02                                  ! [atm] type: Q, ref: 3730
Hvpx______58_89_9 =  1.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______58_89_9 =  1.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______58_89_9 =  7.1E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______58_89_9 =  1.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______58_89_9 =  1.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______58_89_9 =  1.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______58_89_9 =  5.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______58_89_9 =  2.8E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______58_89_9 =  2.5E-02                                  ! [atm] type: ?, ref: 695

! species:  $\delta$-1,2,3,4,5,6-hexachlorocyclohexane
! formula:  C_6H_6Cl_6
! trivial:  $\delta$-lindane; $\delta$-HCH
! casrn:    319-86-8
! inchikey: JLYXXMFPNIAWKQ-GPIVLXJGSA-N
Hvpx_____319_86_8 =  2.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____319_86_8 =  2.4E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____319_86_8 =  4.0E-02                                  ! [atm] type: V, ref: 2614
Hvpx_____319_86_8 =  4.0E-02                                  ! [atm] type: V, ref: 1157
Hvpx_____319_86_8 =  9.8E-03                                  ! [atm] type: C, ref: 1157
Hvpx_____319_86_8 =  1.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____319_86_8 =  5.1E-01                                  ! [atm] type: Q, ref: 2530

! species:  4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene
! formula:  C_{10}H_6Cl_6
! trivial:  
! casrn:    3734-48-3
! inchikey: XCJXQCUJXDUNDN-UHFFFAOYSA-N
Hvpx____3734_48_3 =  2.8E+01                                  ! [atm] type: Q, ref: 3088
Hvpx____3734_48_3 =  2.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____3734_48_3 =  8.7E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____3734_48_3 =  2.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____3734_48_3 =  1.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  dienochlor
! formula:  C_{10}Cl_{10}
! trivial:  
! casrn:    2227-17-0
! inchikey: LWLJUMBEZJHXHV-UHFFFAOYSA-N
Hvpx____2227_17_0 =  3.0E+00                                  ! [atm] type: V, ref: 3586
Hvpx____2227_17_0 =  4.5E+01                                  ! [atm] type: Q, ref: 3586

! species:  mirex
! formula:  C_{10}Cl_{12}
! trivial:  dodecachloropentacyclodecane
! casrn:    2385-85-5
! inchikey: GVYLCNUFSHDAAW-UHFFFAOYSA-N
Hvpx____2385_85_5 =  4.5E+01 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: M, ref: 852
Hvpx____2385_85_5 =  4.6E+02                                  ! [atm] type: V, ref: 2614
Hvpx____2385_85_5 =  9.5E+00                                  ! [atm] type: V, ref: 2975
Hvpx____2385_85_5 =  4.6E+02                                  ! [atm] type: V, ref: 1157
Hvpx____2385_85_5 =  1.0E+01                                  ! [atm] type: V, ref: 3945
Hvpx____2385_85_5 =  5.5E+02                                  ! [atm] type: C, ref: 1157
Hvpx____2385_85_5 =  4.2E+00                                  ! [atm] type: Q, ref: 3730
Hvpx____2385_85_5 =  1.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx____2385_85_5 =  1.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx____2385_85_5 =  4.5E+01                                  ! [atm] type: ?, ref: 3586

! species:  dechlorane plus
! formula:  C_{18}H_{12}Cl_{12}
! trivial:  
! casrn:    13560-89-9
! inchikey: UGQQAJOWXNCOPY-UHFFFAOYSA-N
Hvpx___13560_89_9 =  4.1E-01                                  ! [atm] type: Q, ref: 3088
Hvpx___13560_89_9 =  4.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___13560_89_9 =  7.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___13560_89_9 =  2.6E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___13560_89_9 =  1.2E-02                                  ! [atm] type: Q, ref: 2995

! species:  chloroethene
! formula:  CH_2CHCl
! trivial:  vinyl chloride
! casrn:    75-01-4
! inchikey: BZHJMEDXRYGGRV-UHFFFAOYSA-N
Hvpx______75_01_4 =  1.3E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______75_01_4 =  1.4E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_01_4 =  1.4E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_01_4 =  1.3E+03 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_01_4 =  1.4E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx______75_01_4 =  1.4E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______75_01_4 =  1.4E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______75_01_4 =  1.2E+03 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______75_01_4 =  1.4E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3681
Hvpx______75_01_4 =  1.4E+03 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______75_01_4 =  1.3E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2824
Hvpx______75_01_4 =  1.4E+03 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______75_01_4 =  1.5E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 532
Hvpx______75_01_4 =  6.4E+04                                  ! [atm] type: M, ref: 544
Hvpx______75_01_4 =  6.0E+02                                  ! [atm] type: V, ref: 477
Hvpx______75_01_4 =  4.4E+03                                  ! [atm] type: V, ref: 635
Hvpx______75_01_4 =  5.0E+03                                  ! [atm] type: V, ref: 2439
Hvpx______75_01_4 =  1.0E+03                                  ! [atm] type: V, ref: 3945
Hvpx______75_01_4 =  5.8E+04                                  ! [atm] type: V, ref: 545
Hvpx______75_01_4 =  1.3E+03                                  ! [atm] type: V, ref: 545
Hvpx______75_01_4 =  3.1E+03                                  ! [atm] type: V, ref: 642
Hvpx______75_01_4 =  1.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_01_4 =  8.4E+02                                  ! [atm] type: C, ref: 2235
Hvpx______75_01_4 =  9.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______75_01_4 =  2.3E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______75_01_4 =  8.6E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______75_01_4 =  1.6E+02                                  ! [atm] type: Q, ref: 3689
Hvpx______75_01_4 =  1.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______75_01_4 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_01_4 =  2.2E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_01_4 =  2.2E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_01_4 =  2.1E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______75_01_4 =  2.6E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______75_01_4 =  4.5E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______75_01_4 =  1.3E+03                                  ! [atm] type: Q, ref: 2535
Hvpx______75_01_4 =  3.8E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______75_01_4 =  2.2E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______75_01_4 =  2.7E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______75_01_4 =  6.8E+02                                  ! [atm] type: Q, ref: 2550
Hvpx______75_01_4 =  1.5E+03                                  ! [atm] type: ?, ref: 2612
Hvpx______75_01_4 =  1.2E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______75_01_4 =  1.4E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx______75_01_4 =  1.5E+03                                  ! [atm] type: ?, ref: 635
Hvpx______75_01_4 =  1.2E+03                                  ! [atm] type: ?, ref: 789
Hvpx______75_01_4 =  1.2E+03                                  ! [atm] type: ?, ref: 1500

! species:  chloroethene-d3
! formula:  CD_2CDCl
! trivial:  vinyl chloride-d3
! casrn:    6745-35-3
! inchikey: BZHJMEDXRYGGRV-FUDHJZNOSA-N
Hvpx____6745_35_3 =  1.4E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,1-dichloroethene
! formula:  CH_2CCl_2
! trivial:  
! casrn:    75-35-4
! inchikey: LGXVIGDEPROXKC-UHFFFAOYSA-N
Hvpx______75_35_4 =  1.5E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______75_35_4 =  1.5E+03 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_35_4 =  1.5E+03 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_35_4 =  1.8E+03 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_35_4 =  1.5E+03 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx______75_35_4 =  1.4E+03 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______75_35_4 =  1.6E+03 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______75_35_4 =  1.6E+03 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______75_35_4 =  1.4E+03 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3681
Hvpx______75_35_4 =  1.3E+03 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______75_35_4 =  1.5E+03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx______75_35_4 =  1.2E+03                                  ! [atm] type: M, ref: 1113
Hvpx______75_35_4 =  1.2E+03 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______75_35_4 =  1.5E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx______75_35_4 =  1.6E+03 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx______75_35_4 =  1.5E+03 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______75_35_4 =  1.4E+03 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 532
Hvpx______75_35_4 =  4.2E+03                                  ! [atm] type: M, ref: 2479
Hvpx______75_35_4 =  2.1E+03 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx______75_35_4 =  3.9E+03 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx______75_35_4 =  8.3E+02                                  ! [atm] type: M, ref: 2900
Hvpx______75_35_4 =  8.3E+03                                  ! [atm] type: M, ref: 544
Hvpx______75_35_4 =  1.3E+03                                  ! [atm] type: V, ref: 2612
Hvpx______75_35_4 =  1.6E+03                                  ! [atm] type: V, ref: 477
Hvpx______75_35_4 =  1.3E+03                                  ! [atm] type: V, ref: 635
Hvpx______75_35_4 =  7.3E+03                                  ! [atm] type: V, ref: 479
Hvpx______75_35_4 =  8.4E+02                                  ! [atm] type: V, ref: 2900
Hvpx______75_35_4 =  1.1E+04                                  ! [atm] type: V, ref: 545
Hvpx______75_35_4 =  8.9E+03                                  ! [atm] type: V, ref: 545
Hvpx______75_35_4 =  1.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_35_4 =  8.5E+02 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______75_35_4 =  2.4E+02                                  ! [atm] type: C, ref: 2235
Hvpx______75_35_4 =  8.3E+02                                  ! [atm] type: C, ref: 3083
Hvpx______75_35_4 =  5.3E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______75_35_4 =  4.3E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______75_35_4 =  1.2E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______75_35_4 =  4.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______75_35_4 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_35_4 =  3.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_35_4 =  1.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_35_4 =  3.1E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______75_35_4 =  4.3E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______75_35_4 =  6.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______75_35_4 =  1.5E+03                                  ! [atm] type: Q, ref: 2535
Hvpx______75_35_4 =  2.1E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______75_35_4 =  2.0E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______75_35_4 =  1.4E+03                                  ! [atm] type: ?, ref: 2612
Hvpx______75_35_4 =  1.3E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______75_35_4 =  1.4E+03                                  ! [atm] type: ?, ref: 635
Hvpx______75_35_4 =  1.3E+03                                  ! [atm] type: ?, ref: 789
Hvpx______75_35_4 =  2.0E+03                                  ! [atm] type: ?, ref: 1500

! species:  1,2-dichloroethene
! formula:  C_2H_2Cl_2
! trivial:  
! casrn:    540-59-0
! inchikey: KFUSEUYYWQURPO-UHFFFAOYSA-N
Hvpx_____540_59_0 =  4.6E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____540_59_0 =  1.1E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____540_59_0 =  1.5E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____540_59_0 =  2.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____540_59_0 =  4.0E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____540_59_0 =  8.7E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____540_59_0 =  1.2E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____540_59_0 =  2.3E+02                                  ! [atm] type: ?, ref: 3586

! species:  ($Z$)-1,2-dichloroethene
! formula:  CHClCHCl
! trivial:  {\it cis}-1,2-dichloroethene
! casrn:    156-59-2
! inchikey: KFUSEUYYWQURPO-UPHRSURJSA-N
Hvpx_____156_59_2 =  2.3E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____156_59_2 =  2.1E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____156_59_2 =  2.1E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____156_59_2 =  2.2E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____156_59_2 =  2.1E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx_____156_59_2 =  2.2E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____156_59_2 =  2.3E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____156_59_2 =  2.3E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx_____156_59_2 =  2.0E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____156_59_2 =  2.2E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2824
Hvpx_____156_59_2 =  2.5E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2897
Hvpx_____156_59_2 =  3.7E+02                                  ! [atm] type: M, ref: 2935
Hvpx_____156_59_2 =  1.7E+02                                  ! [atm] type: M, ref: 2450
Hvpx_____156_59_2 =  2.2E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____156_59_2 =  4.3E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2905
Hvpx_____156_59_2 =  2.3E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx_____156_59_2 =  2.2E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx_____156_59_2 =  2.2E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx_____156_59_2 =  2.6E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____156_59_2 =  2.1E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 532
Hvpx_____156_59_2 =  2.5E+02                                  ! [atm] type: M, ref: 2479
Hvpx_____156_59_2 =  2.5E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx_____156_59_2 =  4.9E+02                                  ! [atm] type: M, ref: 2918
Hvpx_____156_59_2 =  4.1E+02                                  ! [atm] type: V, ref: 2612
Hvpx_____156_59_2 =  4.1E+02                                  ! [atm] type: V, ref: 2905
Hvpx_____156_59_2 =  4.1E+02                                  ! [atm] type: V, ref: 635
Hvpx_____156_59_2 =  4.2E+02                                  ! [atm] type: V, ref: 479
Hvpx_____156_59_2 =  4.2E+02                                  ! [atm] type: V, ref: 545
Hvpx_____156_59_2 =  1.9E+02                                  ! [atm] type: V, ref: 642
Hvpx_____156_59_2 =  4.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____156_59_2 =  3.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____156_59_2 =  1.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____156_59_2 =  5.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____156_59_2 =  1.8E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____156_59_2 =  3.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____156_59_2 =  2.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____156_59_2 =  4.0E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____156_59_2 =  1.0E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____156_59_2 =  2.0E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____156_59_2 =  2.5E+02                                  ! [atm] type: ?, ref: 2612
Hvpx_____156_59_2 =  4.1E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____156_59_2 =  4.7E+02                                  ! [atm] type: ?, ref: 3614
Hvpx_____156_59_2 =  2.5E+02                                  ! [atm] type: ?, ref: 635
Hvpx_____156_59_2 =  4.1E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____156_59_2 =  4.2E+02                                  ! [atm] type: ?, ref: 1500

! species:  ($E$)-1,2-dichloroethene
! formula:  CHClCHCl
! trivial:  {\it trans}-1,2-dichloroethene
! casrn:    156-60-5
! inchikey: KFUSEUYYWQURPO-OWOJBTEDSA-N
Hvpx_____156_60_5 =  5.5E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____156_60_5 =  5.4E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____156_60_5 =  5.4E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____156_60_5 =  5.3E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____156_60_5 =  5.4E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx_____156_60_5 =  5.2E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____156_60_5 =  6.0E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____156_60_5 =  6.1E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx_____156_60_5 =  6.0E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3681
Hvpx_____156_60_5 =  5.4E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____156_60_5 =  5.3E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2897
Hvpx_____156_60_5 =  3.5E+02                                  ! [atm] type: M, ref: 2935
Hvpx_____156_60_5 =  4.2E+02                                  ! [atm] type: M, ref: 2450
Hvpx_____156_60_5 =  5.0E+02 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____156_60_5 =  3.0E+02 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2905
Hvpx_____156_60_5 =  5.9E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2931
Hvpx_____156_60_5 =  5.6E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx_____156_60_5 =  5.4E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx_____156_60_5 =  5.4E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx_____156_60_5 =  5.6E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1148
Hvpx_____156_60_5 =  6.5E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx_____156_60_5 =  5.5E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____156_60_5 =  5.1E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 532
Hvpx_____156_60_5 =  5.1E+02                                  ! [atm] type: M, ref: 2479
Hvpx_____156_60_5 =  7.8E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx_____156_60_5 =  2.9E+02                                  ! [atm] type: M, ref: 2900
Hvpx_____156_60_5 =  6.7E+02                                  ! [atm] type: M, ref: 2918
Hvpx_____156_60_5 =  3.8E+02                                  ! [atm] type: V, ref: 2612
Hvpx_____156_60_5 =  3.7E+02                                  ! [atm] type: V, ref: 2905
Hvpx_____156_60_5 =  3.8E+02                                  ! [atm] type: V, ref: 635
Hvpx_____156_60_5 =  3.6E+02                                  ! [atm] type: V, ref: 2439
Hvpx_____156_60_5 =  3.7E+02                                  ! [atm] type: V, ref: 479
Hvpx_____156_60_5 =  2.2E+02                                  ! [atm] type: V, ref: 2900
Hvpx_____156_60_5 =  3.7E+02                                  ! [atm] type: V, ref: 545
Hvpx_____156_60_5 =  3.7E+02                                  ! [atm] type: V, ref: 642
Hvpx_____156_60_5 =  3.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____156_60_5 =  2.9E+02 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____156_60_5 =  3.7E+02                                  ! [atm] type: C, ref: 2235
Hvpx_____156_60_5 =  2.9E+02                                  ! [atm] type: C, ref: 3083
Hvpx_____156_60_5 =  3.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____156_60_5 =  1.1E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____156_60_5 =  5.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____156_60_5 =  2.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____156_60_5 =  3.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____156_60_5 =  2.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____156_60_5 =  2.5E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____156_60_5 =  2.4E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____156_60_5 =  5.2E+02                                  ! [atm] type: ?, ref: 2612
Hvpx_____156_60_5 =  3.7E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____156_60_5 =  6.5E+02                                  ! [atm] type: ?, ref: 3614
Hvpx_____156_60_5 =  5.2E+02                                  ! [atm] type: ?, ref: 635
Hvpx_____156_60_5 =  3.7E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____156_60_5 =  3.6E+02                                  ! [atm] type: ?, ref: 1500

! species:  trichloroethene
! formula:  C_2HCl_3
! trivial:  trichloroethylene
! casrn:    79-01-6
! inchikey: XSTXAVWGXDQKEL-UHFFFAOYSA-N
Hvpx______79_01_6 =  5.0E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______79_01_6 =  5.0E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_01_6 =  6.4E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_01_6 =  5.0E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______79_01_6 =  6.4E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______79_01_6 =  5.3E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______79_01_6 =  4.9E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx______79_01_6 =  5.2E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______79_01_6 =  5.4E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______79_01_6 =  5.5E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______79_01_6 =  8.3E+02                                  ! [atm] type: L, ref: 2441
Hvpx______79_01_6 =  4.9E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx______79_01_6 =  5.4E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3681
Hvpx______79_01_6 =  4.6E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______79_01_6 =  3.4E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2921
Hvpx______79_01_6 =  4.1E+02                                  ! [atm] type: M, ref: 2921
Hvpx______79_01_6 =  5.3E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2824
Hvpx______79_01_6 =  5.8E+02                                  ! [atm] type: M, ref: 2955
Hvpx______79_01_6 =  5.4E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2897
Hvpx______79_01_6 =  5.7E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2953
Hvpx______79_01_6 =  4.7E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2522
Hvpx______79_01_6 =  7.2E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1026
Hvpx______79_01_6 =  5.5E+02                                  ! [atm] type: M, ref: 1573
Hvpx______79_01_6 =  4.9E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2896
Hvpx______79_01_6 =  4.8E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3692
Hvpx______79_01_6 =  5.8E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx______79_01_6 =  5.8E+02                                  ! [atm] type: M, ref: 2935
Hvpx______79_01_6 =  5.9E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1046
Hvpx______79_01_6 =  5.0E+02                                  ! [atm] type: M, ref: 1113
Hvpx______79_01_6 =  3.9E+02                                  ! [atm] type: M, ref: 1114
Hvpx______79_01_6 =  6.3E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1114
Hvpx______79_01_6 =  4.8E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 837
Hvpx______79_01_6 =  4.1E+02                                  ! [atm] type: M, ref: 2450
Hvpx______79_01_6 =  4.8E+02 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______79_01_6 =  6.2E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2905
Hvpx______79_01_6 =  6.4E+02                                  ! [atm] type: M, ref: 2463
Hvpx______79_01_6 =  6.6E+02                                  ! [atm] type: M, ref: 2930
Hvpx______79_01_6 =  4.4E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 584
Hvpx______79_01_6 =  4.4E+02                                  ! [atm] type: M, ref: 622
Hvpx______79_01_6 =  5.7E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2931
Hvpx______79_01_6 =  5.8E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 599
Hvpx______79_01_6 =  5.2E+02                                  ! [atm] type: M, ref: 637
Hvpx______79_01_6 =  5.4E+02                                  ! [atm] type: M, ref: 2493
Hvpx______79_01_6 =  5.1E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx______79_01_6 =  4.9E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx______79_01_6 =  5.7E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1148
Hvpx______79_01_6 =  4.1E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 598
Hvpx______79_01_6 =  5.2E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx______79_01_6 =  5.6E+02 * EXP(  -2000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2901
Hvpx______79_01_6 =  9.9E+02                                  ! [atm] type: M, ref: 2924
Hvpx______79_01_6 =  5.7E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______79_01_6 =  5.2E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 532
Hvpx______79_01_6 =  5.7E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2243
Hvpx______79_01_6 =  5.6E+02                                  ! [atm] type: M, ref: 2448
Hvpx______79_01_6 =  5.8E+02                                  ! [atm] type: M, ref: 2479
Hvpx______79_01_6 =  6.1E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1331
Hvpx______79_01_6 =  4.8E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2269
Hvpx______79_01_6 =  5.4E+02                                  ! [atm] type: M, ref: 2902
Hvpx______79_01_6 =  5.6E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 601
Hvpx______79_01_6 =  5.5E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx______79_01_6 =  7.4E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx______79_01_6 =  6.5E+02                                  ! [atm] type: M, ref: 2900
Hvpx______79_01_6 =  1.1E+03                                  ! [atm] type: M, ref: 2918
Hvpx______79_01_6 =  4.9E+02                                  ! [atm] type: M, ref: 544
Hvpx______79_01_6 =  6.5E+02                                  ! [atm] type: V, ref: 2612
Hvpx______79_01_6 =  5.5E+02                                  ! [atm] type: V, ref: 2905
Hvpx______79_01_6 =  6.5E+02                                  ! [atm] type: V, ref: 635
Hvpx______79_01_6 =  4.8E+02                                  ! [atm] type: V, ref: 2439
Hvpx______79_01_6 =  6.8E+02                                  ! [atm] type: V, ref: 479
Hvpx______79_01_6 =  6.5E+02                                  ! [atm] type: V, ref: 2900
Hvpx______79_01_6 =  6.6E+02                                  ! [atm] type: V, ref: 545
Hvpx______79_01_6 =  5.4E+02                                  ! [atm] type: V, ref: 545
Hvpx______79_01_6 =  2.3E+02                                  ! [atm] type: V, ref: 545
Hvpx______79_01_6 =  6.5E+02                                  ! [atm] type: V, ref: 642
Hvpx______79_01_6 =  6.5E+02                                  ! [atm] type: V, ref: 1916
Hvpx______79_01_6 =  6.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______79_01_6 =  6.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______79_01_6 =  6.2E+02 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______79_01_6 =  5.1E+02                                  ! [atm] type: C, ref: 2235
Hvpx______79_01_6 =  6.5E+02                                  ! [atm] type: C, ref: 3083
Hvpx______79_01_6 =  8.8E+02                                  ! [atm] type: Q, ref: 3682
Hvpx______79_01_6 =  2.4E+02                                  ! [atm] type: Q, ref: 3730
Hvpx______79_01_6 =  1.9E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______79_01_6 =  1.9E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_01_6 =  2.5E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______79_01_6 =  7.9E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______79_01_6 =  6.5E+02                                  ! [atm] type: Q, ref: 3689
Hvpx______79_01_6 =  9.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx______79_01_6 =  2.2E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______79_01_6 =  2.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______79_01_6 =  1.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______79_01_6 =  6.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______79_01_6 =  1.8E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______79_01_6 =  3.1E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______79_01_6 =  4.8E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______79_01_6 =  5.0E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______79_01_6 =  1.4E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______79_01_6 =  6.5E+01                                  ! [atm] type: Q, ref: 2482
Hvpx______79_01_6 =  5.5E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______79_01_6 =  5.6E+02                                  ! [atm] type: ?, ref: 2612
Hvpx______79_01_6 =  6.4E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______79_01_6 =  1.1E+03                                  ! [atm] type: ?, ref: 3614
Hvpx______79_01_6 =  5.6E+02                                  ! [atm] type: ?, ref: 635
Hvpx______79_01_6 =  6.5E+02                                  ! [atm] type: ?, ref: 789
Hvpx______79_01_6 =  6.5E+02                                  ! [atm] type: ?, ref: 1500

! species:  tetrachloroethene
! formula:  C_2Cl_4
! trivial:  tetrachloroethylene
! casrn:    127-18-4
! inchikey: CYTYCFOTNPOANT-UHFFFAOYSA-N
Hvpx_____127_18_4 =  9.5E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____127_18_4 =  9.9E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____127_18_4 =  1.2E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____127_18_4 =  9.9E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____127_18_4 =  1.2E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____127_18_4 =  9.7E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____127_18_4 =  8.8E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1855
Hvpx_____127_18_4 =  9.1E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____127_18_4 =  9.3E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____127_18_4 =  9.5E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx_____127_18_4 =  1.3E+03                                  ! [atm] type: L, ref: 479
Hvpx_____127_18_4 =  9.4E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3681
Hvpx_____127_18_4 =  5.5E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____127_18_4 =  8.9E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2824
Hvpx_____127_18_4 =  9.4E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2897
Hvpx_____127_18_4 =  1.3E+03 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1026
Hvpx_____127_18_4 =  9.1E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2896
Hvpx_____127_18_4 =  1.1E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3692
Hvpx_____127_18_4 =  1.0E+03                                  ! [atm] type: M, ref: 2935
Hvpx_____127_18_4 =  6.4E+02                                  ! [atm] type: M, ref: 2938
Hvpx_____127_18_4 =  8.8E+02                                  ! [atm] type: M, ref: 1113
Hvpx_____127_18_4 =  7.0E+02                                  ! [atm] type: M, ref: 1114
Hvpx_____127_18_4 =  1.2E+03 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1114
Hvpx_____127_18_4 =  8.9E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 837
Hvpx_____127_18_4 =  6.5E+02                                  ! [atm] type: M, ref: 2450
Hvpx_____127_18_4 =  7.9E+02 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____127_18_4 =  9.8E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2905
Hvpx_____127_18_4 =  8.0E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 584
Hvpx_____127_18_4 =  9.5E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 599
Hvpx_____127_18_4 =  8.7E+02                                  ! [atm] type: M, ref: 637
Hvpx_____127_18_4 =  8.7E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____127_18_4 =  6.7E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 857
Hvpx_____127_18_4 =  9.3E+02 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 598
Hvpx_____127_18_4 =  8.8E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx_____127_18_4 =  1.0E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____127_18_4 =  9.7E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 532
Hvpx_____127_18_4 =  1.0E+03 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2243
Hvpx_____127_18_4 =  7.1E+02                                  ! [atm] type: M, ref: 2448
Hvpx_____127_18_4 =  7.2E+02                                  ! [atm] type: M, ref: 2479
Hvpx_____127_18_4 =  8.4E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2269
Hvpx_____127_18_4 =  9.6E+02 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 601
Hvpx_____127_18_4 =  9.0E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx_____127_18_4 =  9.6E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx_____127_18_4 =  1.6E+03                                  ! [atm] type: M, ref: 2900
Hvpx_____127_18_4 =  4.8E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2951
Hvpx_____127_18_4 =  3.3E+03                                  ! [atm] type: M, ref: 2918
Hvpx_____127_18_4 =  1.1E+03                                  ! [atm] type: M, ref: 544
Hvpx_____127_18_4 =  1.5E+03                                  ! [atm] type: V, ref: 2612
Hvpx_____127_18_4 =  1.6E+03                                  ! [atm] type: V, ref: 2905
Hvpx_____127_18_4 =  1.5E+03                                  ! [atm] type: V, ref: 635
Hvpx_____127_18_4 =  1.5E+03                                  ! [atm] type: V, ref: 2439
Hvpx_____127_18_4 =  6.0E+02                                  ! [atm] type: V, ref: 3587
Hvpx_____127_18_4 =  1.6E+03                                  ! [atm] type: V, ref: 2900
Hvpx_____127_18_4 =  1.6E+03                                  ! [atm] type: V, ref: 545
Hvpx_____127_18_4 =  1.4E+03                                  ! [atm] type: V, ref: 545
Hvpx_____127_18_4 =  4.7E+02                                  ! [atm] type: V, ref: 545
Hvpx_____127_18_4 =  1.5E+03                                  ! [atm] type: V, ref: 642
Hvpx_____127_18_4 =  5.6E+02                                  ! [atm] type: V, ref: 1916
Hvpx_____127_18_4 =  1.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____127_18_4 =  1.5E+03 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____127_18_4 =  8.7E+02                                  ! [atm] type: C, ref: 2235
Hvpx_____127_18_4 =  1.6E+03                                  ! [atm] type: C, ref: 3083
Hvpx_____127_18_4 =  6.8E+02                                  ! [atm] type: C, ref: 545
Hvpx_____127_18_4 =  6.8E+02                                  ! [atm] type: C, ref: 1916
Hvpx_____127_18_4 =  1.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx_____127_18_4 =  4.4E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____127_18_4 =  2.2E+03                                  ! [atm] type: Q, ref: 3409
Hvpx_____127_18_4 =  4.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____127_18_4 =  1.4E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____127_18_4 =  3.2E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____127_18_4 =  4.5E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____127_18_4 =  9.8E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____127_18_4 =  1.7E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____127_18_4 =  5.5E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____127_18_4 =  6.2E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____127_18_4 =  9.5E+02                                  ! [atm] type: ?, ref: 2612
Hvpx_____127_18_4 =  1.5E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____127_18_4 =  3.2E+03                                  ! [atm] type: ?, ref: 3614
Hvpx_____127_18_4 =  9.5E+02                                  ! [atm] type: ?, ref: 635
Hvpx_____127_18_4 =  1.5E+03                                  ! [atm] type: ?, ref: 789
Hvpx_____127_18_4 =  1.6E+03                                  ! [atm] type: ?, ref: 1500
Hvpx_____127_18_4 =  1.9E+02                                  ! [atm] type: ?, ref: 2979

! species:  dichloroethyne
! formula:  C_2Cl_2
! trivial:  
! casrn:    7572-29-4
! inchikey: ZMJOVJSTYLQINE-UHFFFAOYSA-N
Hvpx____7572_29_4 =  1.1E+03                                  ! [atm] type: Q, ref: 3088

! species:  1-chloro-1-propene
! formula:  C_3H_5Cl
! trivial:  
! casrn:    590-21-6
! inchikey: OWXJKYNZGFSVRC-UHFFFAOYSA-N
Hvpx_____590_21_6 =  3.0E+03                                  ! [atm] type: Q, ref: 3088

! species:  2-chloro-1-propene
! formula:  C_3H_5Cl
! trivial:  
! casrn:    557-98-2
! inchikey: PNLQPWWBHXMFCA-UHFFFAOYSA-N
Hvpx_____557_98_2 =  3.9E+03                                  ! [atm] type: Q, ref: 3088

! species:  3-chloro-1-propene
! formula:  C_3H_5Cl
! trivial:  allyl chloride
! casrn:    107-05-1
! inchikey: OSDWBNJEKMUWAV-UHFFFAOYSA-N
Hvpx_____107_05_1 =  6.0E+02                                  ! [atm] type: L, ref: 479
Hvpx_____107_05_1 =  4.2E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____107_05_1 =  1.5E+02                                  ! [atm] type: M, ref: 3646
Hvpx_____107_05_1 =  6.1E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____107_05_1 =  6.1E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____107_05_1 =  1.2E+03                                  ! [atm] type: V, ref: 635
Hvpx_____107_05_1 =  6.0E+02                                  ! [atm] type: V, ref: 545
Hvpx_____107_05_1 =  5.1E+02                                  ! [atm] type: V, ref: 642
Hvpx_____107_05_1 =  5.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____107_05_1 =  1.2E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_05_1 =  5.1E+02                                  ! [atm] type: Q, ref: 3689
Hvpx_____107_05_1 =  3.8E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____107_05_1 =  6.5E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____107_05_1 =  1.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_05_1 =  2.0E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_05_1 =  9.2E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____107_05_1 =  4.9E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____107_05_1 =  3.1E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____107_05_1 =  2.9E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____107_05_1 =  3.2E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____107_05_1 =  5.1E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____107_05_1 =  5.0E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____107_05_1 =  5.1E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,1-dichloropropene
! formula:  C_3H_4Cl_2
! trivial:  
! casrn:    563-58-6
! inchikey: ZAIDIVBQUMFXEC-UHFFFAOYSA-N
Hvpx_____563_58_6 =  8.9E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____563_58_6 =  1.0E+03 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904

! species:  1,2-dichloropropene
! formula:  C_3H_4Cl_2
! trivial:  
! casrn:    563-54-2
! inchikey: PPKPKFIWDXDAGC-UHFFFAOYSA-N
Hvpx_____563_54_2 =  2.7E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____563_54_2 =  1.8E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____563_54_2 =  3.0E+02                                  ! [atm] type: Q, ref: 2530

! species:  1,3-dichloropropene
! formula:  C_3H_4Cl_2
! trivial:  
! casrn:    542-75-6
! inchikey: UOORRWUZONOOLO-UHFFFAOYSA-N
Hvpx_____542_75_6 =  8.6E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx_____542_75_6 =  2.0E+02                                  ! [atm] type: M, ref: 2900
Hvpx_____542_75_6 =  7.5E+01                                  ! [atm] type: V, ref: 2900
Hvpx_____542_75_6 =  2.3E+04                                  ! [atm] type: X, ref: barcelo97
Hvpx_____542_75_6 =  2.0E+02 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____542_75_6 =  9.4E+01                                  ! [atm] type: C, ref: 2521
Hvpx_____542_75_6 =  2.0E+02                                  ! [atm] type: C, ref: 3653
Hvpx_____542_75_6 =  6.8E+01                                  ! [atm] type: C, ref: 2235
Hvpx_____542_75_6 =  2.0E+02                                  ! [atm] type: C, ref: 3083
Hvpx_____542_75_6 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____542_75_6 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____542_75_6 =  1.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____542_75_6 =  1.1E+04                                  ! [atm] type: Q, ref: 3729
Hvpx_____542_75_6 =  9.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____542_75_6 =  1.1E+02                                  ! [atm] type: Q, ref: 2530

! species:  {\it cis}-1,3-dichloropropene
! formula:  C_3H_4Cl_2
! trivial:  
! casrn:    10061-01-5
! inchikey: UOORRWUZONOOLO-UPHRSURJSA-N
Hvpx___10061_01_5 =  1.3E+02                                  ! [atm] type: L, ref: 479
Hvpx___10061_01_5 =  5.7E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx___10061_01_5 =  5.4E+01                                  ! [atm] type: M, ref: 3948
Hvpx___10061_01_5 =  8.7E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx___10061_01_5 =  1.3E+02                                  ! [atm] type: M, ref: 3946
Hvpx___10061_01_5 =  1.1E+02 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3086
Hvpx___10061_01_5 =  1.3E+02                                  ! [atm] type: V, ref: 545
Hvpx___10061_01_5 =  6.3E+01                                  ! [atm] type: ?, ref: 3948
Hvpx___10061_01_5 =  1.0E+02                                  ! [atm] type: ?, ref: 1330

! species:  {\it trans}-1,3-dichloropropene
! formula:  C_3H_4Cl_2
! trivial:  
! casrn:    10061-02-6
! inchikey: UOORRWUZONOOLO-OWOJBTEDSA-N
Hvpx___10061_02_6 =  9.8E+01                                  ! [atm] type: L, ref: 479
Hvpx___10061_02_6 =  9.4E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx___10061_02_6 =  3.6E+01                                  ! [atm] type: M, ref: 3948
Hvpx___10061_02_6 =  5.4E+01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx___10061_02_6 =  9.7E+01                                  ! [atm] type: M, ref: 3946
Hvpx___10061_02_6 =  6.8E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3086
Hvpx___10061_02_6 =  9.7E+01                                  ! [atm] type: V, ref: 545
Hvpx___10061_02_6 =  3.6E+01                                  ! [atm] type: ?, ref: 3948
Hvpx___10061_02_6 =  5.8E+01                                  ! [atm] type: ?, ref: 1330

! species:  2,3-dichloropropene
! formula:  C_3H_4Cl_2
! trivial:  
! casrn:    78-88-6
! inchikey: FALCMQXTWHPRIH-UHFFFAOYSA-N
Hvpx______78_88_6 =  2.0E+02                                  ! [atm] type: L, ref: 479
Hvpx______78_88_6 =  1.6E+02                                  ! [atm] type: M, ref: 3946
Hvpx______78_88_6 =  2.3E+02                                  ! [atm] type: V, ref: 3586
Hvpx______78_88_6 =  2.0E+02                                  ! [atm] type: V, ref: 545
Hvpx______78_88_6 =  2.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_88_6 =  1.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______78_88_6 =  1.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______78_88_6 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______78_88_6 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______78_88_6 =  1.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______78_88_6 =  2.2E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______78_88_6 =  1.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______78_88_6 =  1.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______78_88_6 =  1.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______78_88_6 =  3.1E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______78_88_6 =  2.8E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______78_88_6 =  2.3E+02                                  ! [atm] type: ?, ref: 2440

! species:  1,2,3-trichloro-1-propene
! formula:  C_3H_3Cl_3
! trivial:  
! casrn:    96-19-5
! inchikey: HIILBTHBHCLUER-UHFFFAOYSA-N
Hvpx______96_19_5 =  1.0E+03                                  ! [atm] type: Q, ref: 3088

! species:  1,1,2,3,3,3-hexachloro-1-propene
! formula:  C_3Cl_6
! trivial:  
! casrn:    1888-71-7
! inchikey: VFDYKPARTDCDCU-UHFFFAOYSA-N
Hvpx____1888_71_7 =  2.6E+02                                  ! [atm] type: V, ref: 3586
Hvpx____1888_71_7 =  4.1E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____1888_71_7 =  8.9E+01                                  ! [atm] type: Q, ref: 3088
Hvpx____1888_71_7 =  5.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx____1888_71_7 =  1.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx____1888_71_7 =  2.6E+02                                  ! [atm] type: Q, ref: 2535

! species:  3-chloro-1-butene
! formula:  C_4H_7Cl
! trivial:  
! casrn:    563-52-0
! inchikey: VZGLVCFVUREVDP-UHFFFAOYSA-N
Hvpx_____563_52_0 =  9.8E+02                                  ! [atm] type: ?, ref: 3766

! species:  3-chloro-2-methyl-1-propene
! formula:  C_4H_7Cl
! trivial:  
! casrn:    563-47-3
! inchikey: OHXAOPZTJOUYKM-UHFFFAOYSA-N
Hvpx_____563_47_3 =  4.8E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____563_47_3 =  4.8E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____563_47_3 =  3.7E+02                                  ! [atm] type: Q, ref: 3586

! species:  1-chloro-2-butene
! formula:  C_4H_7Cl
! trivial:  crotyl chloride
! casrn:    591-97-9
! inchikey: YTKRILODNOEEPX-UHFFFAOYSA-N
Hvpx_____591_97_9 =  5.8E+02                                  ! [atm] type: ?, ref: 3766

! species:  ($Z$)-1-chloro-2-butene
! formula:  C_4H_7Cl
! trivial:  {\it cis}-1-chloro-2-butene
! casrn:    4628-21-1
! inchikey: YTKRILODNOEEPX-IHWYPQMZSA-N
Hvpx____4628_21_1 =  4.4E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2923

! species:  ($E$)-1-chloro-2-butene
! formula:  C_4H_7Cl
! trivial:  {\it trans}-1-chloro-2-butene
! casrn:    4894-61-5
! inchikey: YTKRILODNOEEPX-NSCUHMNNSA-N
Hvpx____4894_61_5 =  1.8E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2923

! species:  1,3-dichloro-2-butene
! formula:  C_4H_6Cl_2
! trivial:  
! casrn:    926-57-8
! inchikey: WLIADPFXSACYLS-UHFFFAOYSA-N
Hvpx_____926_57_8 =  2.1E+03                                  ! [atm] type: Q, ref: 3088

! species:  1,4-dichloro-2-butene
! formula:  C_4H_6Cl_2
! trivial:  
! casrn:    764-41-0
! inchikey: FQDIANVAWVHZIR-UHFFFAOYSA-N
Hvpx_____764_41_0 =  4.7E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____764_41_0 =  3.2E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____764_41_0 =  1.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____764_41_0 =  6.2E+01                                  ! [atm] type: Q, ref: 2530

! species:  ($Z$)-1,4-dichloro-2-butene
! formula:  C_4H_6Cl_2
! trivial:  
! casrn:    1476-11-5
! inchikey: FQDIANVAWVHZIR-UPHRSURJSA-N
Hvpx____1476_11_5 =  1.8E+01 * EXP(  -9400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx____1476_11_5 =  5.2E+01                                  ! [atm] type: M, ref: 3946
Hvpx____1476_11_5 =  6.4E+01                                  ! [atm] type: V, ref: 3586
Hvpx____1476_11_5 =  6.6E+01                                  ! [atm] type: V, ref: 3088
Hvpx____1476_11_5 =  1.3E+02                                  ! [atm] type: Q, ref: 3586

! species:  ($E$)-1,4-dichloro-2-butene
! formula:  C_4H_6Cl_2
! trivial:  
! casrn:    110-57-6
! inchikey: FQDIANVAWVHZIR-OWOJBTEDSA-N
Hvpx_____110_57_6 =  1.6E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____110_57_6 =  3.2E+01                                  ! [atm] type: M, ref: 3946
Hvpx_____110_57_6 =  3.7E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____110_57_6 =  3.7E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____110_57_6 =  1.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_57_6 =  7.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_57_6 =  6.2E+01                                  ! [atm] type: Q, ref: 2530

! species:  3,4-dichloro-1-butene
! formula:  C_4H_6Cl_2
! trivial:  
! casrn:    760-23-6
! inchikey: XVEASTGLHPVZNA-UHFFFAOYSA-N
Hvpx_____760_23_6 =  4.7E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____760_23_6 =  4.8E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____760_23_6 =  8.5E+01                                  ! [atm] type: Q, ref: 3586

! species:  1-chloro-2-methylpropene
! formula:  C_4H_7Cl
! trivial:  dimethylvinyl chloride
! casrn:    513-37-1
! inchikey: KWISWUFGPUHDRY-UHFFFAOYSA-N
Hvpx_____513_37_1 =  1.1E+03                                  ! [atm] type: V, ref: 3088

! species:  2-chloro-1,3-butadiene
! formula:  C_4H_5Cl
! trivial:  
! casrn:    126-99-8
! inchikey: YACLQRRMGMJLJV-UHFFFAOYSA-N
Hvpx_____126_99_8 =  1.2E+01                                  ! [atm] type: V, ref: 635
Hvpx_____126_99_8 =  3.1E+03                                  ! [atm] type: Q, ref: 3088

! species:  hexachlorobutadiene
! formula:  CCl_2CClCClCCl_2
! trivial:  
! casrn:    87-68-3
! inchikey: RWNKSTSCBHKHTB-UHFFFAOYSA-N
Hvpx______87_68_3 =  9.7E+02 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______87_68_3 =  6.6E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______87_68_3 =  2.3E+02 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______87_68_3 =  8.8E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx______87_68_3 =  7.8E+02 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______87_68_3 =  2.4E+02                                  ! [atm] type: M, ref: 1139
Hvpx______87_68_3 =  5.7E+02                                  ! [atm] type: M, ref: 2900
Hvpx______87_68_3 =  1.4E+03                                  ! [atm] type: M, ref: 544
Hvpx______87_68_3 =  8.9E+02                                  ! [atm] type: V, ref: 2612
Hvpx______87_68_3 =  8.4E+02                                  ! [atm] type: V, ref: 635
Hvpx______87_68_3 =  6.0E+02                                  ! [atm] type: V, ref: 2974
Hvpx______87_68_3 =  1.4E+03                                  ! [atm] type: V, ref: 2900
Hvpx______87_68_3 =  1.3E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______87_68_3 =  5.6E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______87_68_3 =  5.6E+02                                  ! [atm] type: C, ref: 2521
Hvpx______87_68_3 =  5.7E+02                                  ! [atm] type: C, ref: 3653
Hvpx______87_68_3 =  5.8E+02                                  ! [atm] type: C, ref: 2235
Hvpx______87_68_3 =  5.7E+02                                  ! [atm] type: C, ref: 3083
Hvpx______87_68_3 =  6.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______87_68_3 =  1.1E+03                                  ! [atm] type: Q, ref: 2995
Hvpx______87_68_3 =  2.4E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______87_68_3 =  3.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______87_68_3 =  1.3E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______87_68_3 =  8.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______87_68_3 =  7.2E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______87_68_3 =  2.0E+03                                  ! [atm] type: Q, ref: 3731
Hvpx______87_68_3 =  1.3E+03                                  ! [atm] type: ?, ref: 2440

! species:  hexachlorocyclopentadiene
! formula:  C_5Cl_6
! trivial:  
! casrn:    77-47-4
! inchikey: VUNCWTMEJYMOOR-UHFFFAOYSA-N
Hvpx______77_47_4 =  1.5E+03                                  ! [atm] type: M, ref: 2529
Hvpx______77_47_4 =  9.1E+02                                  ! [atm] type: M, ref: 2900
Hvpx______77_47_4 =  9.0E+02                                  ! [atm] type: V, ref: 2612
Hvpx______77_47_4 =  9.1E+02                                  ! [atm] type: V, ref: 635
Hvpx______77_47_4 =  8.9E+02                                  ! [atm] type: V, ref: 2529
Hvpx______77_47_4 =  2.0E+03                                  ! [atm] type: V, ref: 2900
Hvpx______77_47_4 =  9.1E+02 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______77_47_4 =  2.0E+03                                  ! [atm] type: C, ref: 2235
Hvpx______77_47_4 =  9.1E+02                                  ! [atm] type: C, ref: 3083
Hvpx______77_47_4 =  1.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______77_47_4 =  1.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______77_47_4 =  3.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______77_47_4 =  3.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______77_47_4 =  2.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______77_47_4 =  2.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______77_47_4 =  1.5E+03                                  ! [atm] type: Q, ref: 2535
Hvpx______77_47_4 =  2.3E+02                                  ! [atm] type: Q, ref: 3764

! species:  chlordane
! formula:  C_{10}H_6Cl_8
! trivial:  
! casrn:    57-74-9
! inchikey: BIWJNBZANLAXMG-UHFFFAOYSA-N
Hvpx______57_74_9 =  3.1E+00                                  ! [atm] type: M, ref: 901
Hvpx______57_74_9 =  4.6E+00                                  ! [atm] type: M, ref: 901
Hvpx______57_74_9 =  2.7E+00                                  ! [atm] type: M, ref: 2900
Hvpx______57_74_9 =  4.9E+00                                  ! [atm] type: V, ref: 1157
Hvpx______57_74_9 =  5.0E+02                                  ! [atm] type: X, ref: barcelo97
Hvpx______57_74_9 =  2.7E+00                                  ! [atm] type: C, ref: 1157
Hvpx______57_74_9 =  5.0E+00                                  ! [atm] type: C, ref: 1157
Hvpx______57_74_9 =  5.3E+00                                  ! [atm] type: C, ref: 2235
Hvpx______57_74_9 =  2.7E+00                                  ! [atm] type: C, ref: 3083
Hvpx______57_74_9 =  4.2E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______57_74_9 =  1.5E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______57_74_9 =  3.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______57_74_9 =  1.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______57_74_9 =  2.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______57_74_9 =  3.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______57_74_9 =  2.5E+03                                  ! [atm] type: Q, ref: 3729
Hvpx______57_74_9 =  1.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______57_74_9 =  2.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  {\it cis}-chlordane
! formula:  C_{10}H_6Cl_8
! trivial:  $\alpha$-chlordane
! casrn:    5103-71-9
! inchikey: BIWJNBZANLAXMG-KMMBHOGFSA-N
Hvpx____5103_71_9 =  3.3E+00                                  ! [atm] type: L, ref: 2948
Hvpx____5103_71_9 =  3.1E+00                                  ! [atm] type: L, ref: 2948
Hvpx____5103_71_9 =  1.5E+01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2492
Hvpx____5103_71_9 =  3.7E+00 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx____5103_71_9 =  4.8E+01                                  ! [atm] type: M, ref: 1926
Hvpx____5103_71_9 =  1.9E+01                                  ! [atm] type: V, ref: 3586
Hvpx____5103_71_9 =  1.1E+02 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx____5103_71_9 =  1.5E+01                                  ! [atm] type: Q, ref: 3586

! species:  {\it trans}-chlordane
! formula:  C_{10}H_6Cl_8
! trivial:  $\beta$-chlordane
! casrn:    5103-74-2
! inchikey: BIWJNBZANLAXMG-OESJLNMISA-N
Hvpx____5103_74_2 =  3.3E+00                                  ! [atm] type: L, ref: 2948
Hvpx____5103_74_2 =  3.7E+00                                  ! [atm] type: L, ref: 2948
Hvpx____5103_74_2 =  1.6E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2492
Hvpx____5103_74_2 =  8.7E+00 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx____5103_74_2 =  7.4E+01                                  ! [atm] type: M, ref: 1926
Hvpx____5103_74_2 =  2.7E+01                                  ! [atm] type: V, ref: 3586
Hvpx____5103_74_2 =  1.5E+02 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx____5103_74_2 =  1.5E+01                                  ! [atm] type: Q, ref: 3586
Hvpx____5103_74_2 =  5.5E-01                                  ! [atm] type: Q, ref: 2530

! species:  $\gamma$-chlordane
! formula:  C_{10}H_6Cl_8
! trivial:  
! casrn:    5566-34-7
! inchikey: JBZJEPYXXVKOKF-UHFFFAOYSA-N
Hvpx____5566_34_7 =  8.7E+00                                  ! [atm] type: ?, ref: 3766

! species:  {\it cis}-nonachlor
! formula:  C_{10}H_5Cl_9
! trivial:  
! casrn:    5103-73-1
! inchikey: OCHOKXCPKDPNQU-BBXWSCHTSA-N
Hvpx____5103_73_1 =  3.9E-01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814

! species:  {\it trans}-nonachlor
! formula:  C_{10}H_5Cl_9
! trivial:  
! casrn:    39765-80-5
! inchikey: OCHOKXCPKDPNQU-FLVMBEMLSA-N
Hvpx___39765_80_5 =  1.7E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2492
Hvpx___39765_80_5 =  6.2E+00 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx___39765_80_5 =  6.9E+02 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143

! species:  chlorobenzene
! formula:  C_6H_5Cl
! trivial:  
! casrn:    108-90-7
! inchikey: MVPPADPHJFYWMZ-UHFFFAOYSA-N
Hvpx_____108_90_7 =  2.2E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____108_90_7 =  2.1E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_90_7 =  2.0E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____108_90_7 =  2.0E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx_____108_90_7 =  1.9E+02                                  ! [atm] type: L, ref: 479
Hvpx_____108_90_7 =  2.7E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3681
Hvpx_____108_90_7 =  1.5E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____108_90_7 =  3.1E+02 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2982
Hvpx_____108_90_7 =  2.3E+02                                  ! [atm] type: M, ref: 2970
Hvpx_____108_90_7 =  3.6E+02 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2996
Hvpx_____108_90_7 =  2.2E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx_____108_90_7 =  2.9E+02                                  ! [atm] type: M, ref: 2935
Hvpx_____108_90_7 =  1.5E+02                                  ! [atm] type: M, ref: 2938
Hvpx_____108_90_7 =  1.6E+02                                  ! [atm] type: M, ref: 2950
Hvpx_____108_90_7 =  2.0E+02                                  ! [atm] type: M, ref: 3646
Hvpx_____108_90_7 =  1.7E+02                                  ! [atm] type: M, ref: 2339
Hvpx_____108_90_7 =  1.5E+02                                  ! [atm] type: M, ref: 2450
Hvpx_____108_90_7 =  1.8E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____108_90_7 =  2.8E+02 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2905
Hvpx_____108_90_7 =  1.9E+02                                  ! [atm] type: M, ref: 2930
Hvpx_____108_90_7 =  1.8E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2931
Hvpx_____108_90_7 =  2.1E+02                                  ! [atm] type: M, ref: 637
Hvpx_____108_90_7 =  1.8E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 858
Hvpx_____108_90_7 =  2.2E+02                                  ! [atm] type: M, ref: 2457
Hvpx_____108_90_7 =  1.8E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1148
Hvpx_____108_90_7 =  2.2E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx_____108_90_7 =  2.1E+02 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____108_90_7 =  1.9E+02                                  ! [atm] type: M, ref: 2448
Hvpx_____108_90_7 =  1.8E+02                                  ! [atm] type: M, ref: 2479
Hvpx_____108_90_7 =  1.7E+02                                  ! [atm] type: M, ref: 479
Hvpx_____108_90_7 =  1.8E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx_____108_90_7 =  1.9E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx_____108_90_7 =  2.2E+02                                  ! [atm] type: M, ref: 2900
Hvpx_____108_90_7 =  2.1E+02                                  ! [atm] type: M, ref: 490
Hvpx_____108_90_7 =  3.4E+02                                  ! [atm] type: M, ref: 2918
Hvpx_____108_90_7 =  2.0E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 640
Hvpx_____108_90_7 =  2.0E+02                                  ! [atm] type: V, ref: 2612
Hvpx_____108_90_7 =  1.9E+02 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx_____108_90_7 =  2.0E+02                                  ! [atm] type: V, ref: 2339
Hvpx_____108_90_7 =  2.0E+02                                  ! [atm] type: V, ref: 2905
Hvpx_____108_90_7 =  1.9E+02                                  ! [atm] type: V, ref: 477
Hvpx_____108_90_7 =  2.0E+02                                  ! [atm] type: V, ref: 635
Hvpx_____108_90_7 =  2.0E+02                                  ! [atm] type: V, ref: 633
Hvpx_____108_90_7 =  2.2E+02                                  ! [atm] type: V, ref: 2439
Hvpx_____108_90_7 =  2.0E+02                                  ! [atm] type: V, ref: 3110
Hvpx_____108_90_7 =  2.0E+02                                  ! [atm] type: V, ref: 2971
Hvpx_____108_90_7 =  2.0E+02                                  ! [atm] type: V, ref: 1910
Hvpx_____108_90_7 =  2.0E+02                                  ! [atm] type: V, ref: 2900
Hvpx_____108_90_7 =  2.5E+02                                  ! [atm] type: V, ref: 642
Hvpx_____108_90_7 =  2.1E+02                                  ! [atm] type: T, ref: 490
Hvpx_____108_90_7 =  2.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_90_7 =  2.2E+02 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____108_90_7 =  2.0E+02                                  ! [atm] type: C, ref: 2165
Hvpx_____108_90_7 =  2.0E+02                                  ! [atm] type: C, ref: 2235
Hvpx_____108_90_7 =  2.2E+02                                  ! [atm] type: C, ref: 3083
Hvpx_____108_90_7 =  2.3E+01                                  ! [atm] type: Q, ref: 3728
Hvpx_____108_90_7 =  7.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_90_7 =  6.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_90_7 =  3.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_90_7 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_90_7 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_90_7 =  2.2E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_90_7 =  3.6E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_90_7 =  1.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_90_7 =  6.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_90_7 =  1.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_90_7 =  1.9E+02                                  ! [atm] type: Q, ref: 1935
Hvpx_____108_90_7 =  1.5E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_90_7 =  1.4E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_90_7 =  3.2E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_90_7 =  3.6E+02                                  ! [atm] type: Q, ref: 2542
Hvpx_____108_90_7 =  2.5E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_90_7 =  1.3E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____108_90_7 =  3.0E+02                                  ! [atm] type: Q, ref: 2481
Hvpx_____108_90_7 =  1.7E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_90_7 =  2.5E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_90_7 =  3.3E+02                                  ! [atm] type: ?, ref: 3614
Hvpx_____108_90_7 =  2.1E+02                                  ! [atm] type: ?, ref: 635
Hvpx_____108_90_7 =  2.5E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____108_90_7 =  2.0E+02                                  ! [atm] type: ?, ref: 1500
Hvpx_____108_90_7 =  1.4E+02                                  ! [atm] type: ?, ref: 2233

! species:  chlorobenzene-d5
! formula:  C_6D_5Cl
! trivial:  
! casrn:    3114-55-4
! inchikey: MVPPADPHJFYWMZ-RALIUCGRSA-N
Hvpx____3114_55_4 =  1.5E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,2-dichlorobenzene
! formula:  C_6H_4Cl_2
! trivial:  $o$-dichlorobenzene
! casrn:    95-50-1
! inchikey: RFFLAFLAYFXFSW-UHFFFAOYSA-N
Hvpx______95_50_1 =  9.7E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______95_50_1 =  9.3E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______95_50_1 =  8.0E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______95_50_1 =  1.0E+02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______95_50_1 =  1.0E+02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______95_50_1 =  1.0E+02                                  ! [atm] type: L, ref: 479
Hvpx______95_50_1 =  6.8E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______95_50_1 =  8.7E+01                                  ! [atm] type: M, ref: 2970
Hvpx______95_50_1 =  1.2E+02                                  ! [atm] type: M, ref: 2935
Hvpx______95_50_1 =  1.1E+02                                  ! [atm] type: M, ref: 2339
Hvpx______95_50_1 =  7.5E+01                                  ! [atm] type: M, ref: 2450
Hvpx______95_50_1 =  8.8E+01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______95_50_1 =  1.1E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2905
Hvpx______95_50_1 =  1.1E+02                                  ! [atm] type: M, ref: 2457
Hvpx______95_50_1 =  1.6E+02                                  ! [atm] type: M, ref: 3675
Hvpx______95_50_1 =  1.1E+02 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2270
Hvpx______95_50_1 =  1.0E+02 * EXP(  -1400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______95_50_1 =  6.6E+01                                  ! [atm] type: M, ref: 1139
Hvpx______95_50_1 =  9.2E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2269
Hvpx______95_50_1 =  1.1E+02                                  ! [atm] type: M, ref: 479
Hvpx______95_50_1 =  1.1E+02                                  ! [atm] type: M, ref: 2900
Hvpx______95_50_1 =  1.6E+02                                  ! [atm] type: M, ref: 2918
Hvpx______95_50_1 =  9.7E+01                                  ! [atm] type: V, ref: 2612
Hvpx______95_50_1 =  1.3E+02                                  ! [atm] type: V, ref: 2339
Hvpx______95_50_1 =  6.4E+01                                  ! [atm] type: V, ref: 2905
Hvpx______95_50_1 =  6.6E+01                                  ! [atm] type: V, ref: 477
Hvpx______95_50_1 =  1.3E+02                                  ! [atm] type: V, ref: 633
Hvpx______95_50_1 =  9.1E+01                                  ! [atm] type: V, ref: 2439
Hvpx______95_50_1 =  1.3E+02                                  ! [atm] type: V, ref: 3110
Hvpx______95_50_1 =  1.1E+02                                  ! [atm] type: V, ref: 2900
Hvpx______95_50_1 =  1.4E+02                                  ! [atm] type: V, ref: 642
Hvpx______95_50_1 =  1.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______95_50_1 =  1.0E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______95_50_1 =  1.0E+02                                  ! [atm] type: C, ref: 2165
Hvpx______95_50_1 =  2.0E+02                                  ! [atm] type: C, ref: 2235
Hvpx______95_50_1 =  1.1E+02                                  ! [atm] type: C, ref: 3083
Hvpx______95_50_1 =  7.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______95_50_1 =  3.5E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______95_50_1 =  1.4E+02                                  ! [atm] type: Q, ref: 3689
Hvpx______95_50_1 =  1.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx______95_50_1 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______95_50_1 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______95_50_1 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______95_50_1 =  1.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______95_50_1 =  6.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______95_50_1 =  1.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______95_50_1 =  9.8E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______95_50_1 =  7.6E+01                                  ! [atm] type: Q, ref: 1935
Hvpx______95_50_1 =  6.8E+01                                  ! [atm] type: Q, ref: 3731
Hvpx______95_50_1 =  1.2E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______95_50_1 =  1.7E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______95_50_1 =  2.4E+02                                  ! [atm] type: Q, ref: 2542
Hvpx______95_50_1 =  6.5E+01                                  ! [atm] type: Q, ref: 2482
Hvpx______95_50_1 =  1.1E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______95_50_1 =  1.6E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______95_50_1 =  1.5E+02                                  ! [atm] type: ?, ref: 3614
Hvpx______95_50_1 =  1.6E+02                                  ! [atm] type: ?, ref: 789
Hvpx______95_50_1 =  1.1E+02                                  ! [atm] type: ?, ref: 1500
Hvpx______95_50_1 =  8.8E+01                                  ! [atm] type: ?, ref: 2979

! species:  1,2-dichlorobenzene-d4
! formula:  C_6D_4Cl_2
! trivial:  $o$-dichlorobenzene-d4
! casrn:    2199-69-1
! inchikey: RFFLAFLAYFXFSW-RHQRLBAQSA-N
Hvpx____2199_69_1 =  6.7E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,3-dichlorobenzene
! formula:  C_6H_4Cl_2
! trivial:  $m$-dichlorobenzene
! casrn:    541-73-1
! inchikey: ZPQOPVIELGIULI-UHFFFAOYSA-N
Hvpx_____541_73_1 =  1.8E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____541_73_1 =  1.8E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____541_73_1 =  1.6E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____541_73_1 =  2.0E+02                                  ! [atm] type: L, ref: 479
Hvpx_____541_73_1 =  1.0E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____541_73_1 =  1.9E+02                                  ! [atm] type: M, ref: 2970
Hvpx_____541_73_1 =  1.5E+02                                  ! [atm] type: M, ref: 2950
Hvpx_____541_73_1 =  1.2E+02                                  ! [atm] type: M, ref: 2450
Hvpx_____541_73_1 =  1.5E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____541_73_1 =  1.6E+02                                  ! [atm] type: M, ref: 637
Hvpx_____541_73_1 =  1.8E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____541_73_1 =  1.0E+02                                  ! [atm] type: M, ref: 1139
Hvpx_____541_73_1 =  1.5E+02                                  ! [atm] type: M, ref: 2900
Hvpx_____541_73_1 =  2.6E+02                                  ! [atm] type: M, ref: 2918
Hvpx_____541_73_1 =  1.7E+02                                  ! [atm] type: V, ref: 2612
Hvpx_____541_73_1 =  2.1E+02                                  ! [atm] type: V, ref: 2339
Hvpx_____541_73_1 =  9.8E+01                                  ! [atm] type: V, ref: 477
Hvpx_____541_73_1 =  2.1E+02                                  ! [atm] type: V, ref: 633
Hvpx_____541_73_1 =  2.0E+02                                  ! [atm] type: V, ref: 3110
Hvpx_____541_73_1 =  1.6E+02                                  ! [atm] type: V, ref: 2900
Hvpx_____541_73_1 =  2.6E+02                                  ! [atm] type: V, ref: 642
Hvpx_____541_73_1 =  1.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____541_73_1 =  1.4E+02 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____541_73_1 =  1.5E+02                                  ! [atm] type: C, ref: 2235
Hvpx_____541_73_1 =  1.5E+02                                  ! [atm] type: C, ref: 3083
Hvpx_____541_73_1 =  7.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____541_73_1 =  5.9E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____541_73_1 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____541_73_1 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____541_73_1 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____541_73_1 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____541_73_1 =  1.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____541_73_1 =  1.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____541_73_1 =  1.7E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____541_73_1 =  1.5E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____541_73_1 =  1.2E+02                                  ! [atm] type: Q, ref: 1935
Hvpx_____541_73_1 =  1.1E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____541_73_1 =  1.5E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____541_73_1 =  1.3E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____541_73_1 =  2.4E+02                                  ! [atm] type: Q, ref: 2542
Hvpx_____541_73_1 =  6.5E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____541_73_1 =  1.5E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____541_73_1 =  1.9E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____541_73_1 =  2.5E+02                                  ! [atm] type: ?, ref: 3614
Hvpx_____541_73_1 =  1.8E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____541_73_1 =  2.0E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,4-dichlorobenzene
! formula:  C_6H_4Cl_2
! trivial:  $p$-dichlorobenzene
! casrn:    106-46-7
! inchikey: OCJBOOLMMGQPQU-UHFFFAOYSA-N
Hvpx_____106_46_7 =  1.7E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____106_46_7 =  1.4E+02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____106_46_7 =  1.2E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____106_46_7 =  8.7E+01                                  ! [atm] type: L, ref: 479
Hvpx_____106_46_7 =  9.4E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____106_46_7 =  1.7E+02                                  ! [atm] type: M, ref: 2970
Hvpx_____106_46_7 =  2.2E+02                                  ! [atm] type: M, ref: 1113
Hvpx_____106_46_7 =  1.3E+02                                  ! [atm] type: M, ref: 2339
Hvpx_____106_46_7 =  1.0E+02                                  ! [atm] type: M, ref: 2450
Hvpx_____106_46_7 =  1.2E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____106_46_7 =  1.8E+02 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____106_46_7 =  1.1E+02                                  ! [atm] type: M, ref: 2479
Hvpx_____106_46_7 =  8.3E+01                                  ! [atm] type: M, ref: 1139
Hvpx_____106_46_7 =  1.3E+02                                  ! [atm] type: M, ref: 479
Hvpx_____106_46_7 =  1.5E+02                                  ! [atm] type: M, ref: 2900
Hvpx_____106_46_7 =  1.3E+02                                  ! [atm] type: V, ref: 2612
Hvpx_____106_46_7 =  8.7E+01                                  ! [atm] type: V, ref: 2339
Hvpx_____106_46_7 =  8.2E+01                                  ! [atm] type: V, ref: 477
Hvpx_____106_46_7 =  8.7E+01                                  ! [atm] type: V, ref: 633
Hvpx_____106_46_7 =  1.4E+02                                  ! [atm] type: V, ref: 1157
Hvpx_____106_46_7 =  9.3E+01                                  ! [atm] type: V, ref: 3110
Hvpx_____106_46_7 =  2.5E+02                                  ! [atm] type: V, ref: 642
Hvpx_____106_46_7 =  2.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_46_7 =  1.5E+02 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____106_46_7 =  1.3E+02                                  ! [atm] type: C, ref: 2165
Hvpx_____106_46_7 =  1.3E+02                                  ! [atm] type: C, ref: 2235
Hvpx_____106_46_7 =  1.5E+02                                  ! [atm] type: C, ref: 3083
Hvpx_____106_46_7 =  7.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____106_46_7 =  6.5E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_46_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_46_7 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_46_7 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_46_7 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_46_7 =  1.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____106_46_7 =  8.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_46_7 =  1.8E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_46_7 =  1.3E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_46_7 =  1.3E+02                                  ! [atm] type: Q, ref: 1935
Hvpx_____106_46_7 =  1.3E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_46_7 =  2.4E+02                                  ! [atm] type: Q, ref: 2542
Hvpx_____106_46_7 =  6.5E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____106_46_7 =  2.5E+02                                  ! [atm] type: Q, ref: 2481
Hvpx_____106_46_7 =  1.3E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____106_46_7 =  2.4E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____106_46_7 =  1.5E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,2,3-trichlorobenzene
! formula:  C_6H_3Cl_3
! trivial:  
! casrn:    87-61-6
! inchikey: RELMFMZEBKVZJC-UHFFFAOYSA-N
Hvpx______87_61_6 =  8.8E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______87_61_6 =  3.6E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______87_61_6 =  8.6E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2926
Hvpx______87_61_6 =  6.8E+01                                  ! [atm] type: M, ref: 3014
Hvpx______87_61_6 =  1.5E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx______87_61_6 =  6.9E+01                                  ! [atm] type: M, ref: 2339
Hvpx______87_61_6 =  3.6E+01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______87_61_6 =  3.9E+01                                  ! [atm] type: M, ref: 1146
Hvpx______87_61_6 =  4.9E+01                                  ! [atm] type: M, ref: 1139
Hvpx______87_61_6 =  6.9E+01                                  ! [atm] type: M, ref: 479
Hvpx______87_61_6 =  1.3E+02                                  ! [atm] type: V, ref: 2612
Hvpx______87_61_6 =  9.3E+01                                  ! [atm] type: V, ref: 1943
Hvpx______87_61_6 =  2.6E+02                                  ! [atm] type: V, ref: 1943
Hvpx______87_61_6 =  1.3E+02                                  ! [atm] type: V, ref: 2339
Hvpx______87_61_6 =  1.7E+02                                  ! [atm] type: V, ref: 1501
Hvpx______87_61_6 =  1.3E+02                                  ! [atm] type: V, ref: 633
Hvpx______87_61_6 =  1.3E+02                                  ! [atm] type: V, ref: 3110
Hvpx______87_61_6 =  1.3E+02                                  ! [atm] type: V, ref: 479
Hvpx______87_61_6 =  7.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______87_61_6 =  2.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______87_61_6 =  1.1E+02                                  ! [atm] type: Q, ref: 3627
Hvpx______87_61_6 =  6.8E+01                                  ! [atm] type: Q, ref: 3689
Hvpx______87_61_6 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______87_61_6 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______87_61_6 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______87_61_6 =  1.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______87_61_6 =  8.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______87_61_6 =  3.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______87_61_6 =  1.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______87_61_6 =  6.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______87_61_6 =  1.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______87_61_6 =  4.9E+01                                  ! [atm] type: Q, ref: 1935
Hvpx______87_61_6 =  1.6E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______87_61_6 =  1.2E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______87_61_6 =  1.6E+02                                  ! [atm] type: Q, ref: 2542
Hvpx______87_61_6 =  3.0E+01                                  ! [atm] type: Q, ref: 2482
Hvpx______87_61_6 =  6.9E+01                                  ! [atm] type: ?, ref: 3586

! species:  1,2,3-trichlorobenzene-d3
! formula:  C_6D_3Cl_3
! trivial:  
! casrn:    3907-98-0
! inchikey: SMNOERSLNYGGOU-UHFFFAOYSA-N
Hvpx____3907_98_0 =  3.7E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,2,4-trichlorobenzene
! formula:  C_6H_3Cl_3
! trivial:  
! casrn:    120-82-1
! inchikey: PBKONEOXTCPAFI-UHFFFAOYSA-N
Hvpx_____120_82_1 =  1.4E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____120_82_1 =  1.3E+02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____120_82_1 =  5.1E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____120_82_1 =  9.3E+01                                  ! [atm] type: M, ref: 3014
Hvpx_____120_82_1 =  2.3E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx_____120_82_1 =  2.0E+02                                  ! [atm] type: M, ref: 2935
Hvpx_____120_82_1 =  8.3E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____120_82_1 =  5.5E+01                                  ! [atm] type: M, ref: 1146
Hvpx_____120_82_1 =  1.2E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____120_82_1 =  6.6E+01                                  ! [atm] type: M, ref: 1139
Hvpx_____120_82_1 =  7.9E+01                                  ! [atm] type: M, ref: 2900
Hvpx_____120_82_1 =  7.7E+01                                  ! [atm] type: V, ref: 1943
Hvpx_____120_82_1 =  6.3E+01                                  ! [atm] type: V, ref: 1943
Hvpx_____120_82_1 =  1.5E+02                                  ! [atm] type: V, ref: 2339
Hvpx_____120_82_1 =  7.6E+01                                  ! [atm] type: V, ref: 477
Hvpx_____120_82_1 =  1.5E+02                                  ! [atm] type: V, ref: 633
Hvpx_____120_82_1 =  1.1E+02                                  ! [atm] type: V, ref: 2975
Hvpx_____120_82_1 =  1.5E+02                                  ! [atm] type: V, ref: 3110
Hvpx_____120_82_1 =  2.2E+02                                  ! [atm] type: V, ref: 2971
Hvpx_____120_82_1 =  2.1E+02                                  ! [atm] type: V, ref: 479
Hvpx_____120_82_1 =  1.3E+02                                  ! [atm] type: V, ref: 2900
Hvpx_____120_82_1 =  1.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____120_82_1 =  7.8E+01                                  ! [atm] type: X, ref: usepa82
Hvpx_____120_82_1 =  7.8E+01 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____120_82_1 =  7.9E+01                                  ! [atm] type: C, ref: 1145
Hvpx_____120_82_1 =  1.3E+03                                  ! [atm] type: C, ref: 2235
Hvpx_____120_82_1 =  7.9E+01                                  ! [atm] type: C, ref: 3083
Hvpx_____120_82_1 =  7.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____120_82_1 =  4.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____120_82_1 =  2.2E+02                                  ! [atm] type: Q, ref: 3627
Hvpx_____120_82_1 =  1.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_82_1 =  7.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_82_1 =  3.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_82_1 =  1.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_82_1 =  1.9E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____120_82_1 =  5.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____120_82_1 =  1.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____120_82_1 =  2.2E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____120_82_1 =  8.2E+01                                  ! [atm] type: Q, ref: 1935
Hvpx_____120_82_1 =  7.4E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____120_82_1 =  1.6E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____120_82_1 =  8.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____120_82_1 =  3.3E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____120_82_1 =  1.6E+02                                  ! [atm] type: Q, ref: 2542
Hvpx_____120_82_1 =  1.2E+02                                  ! [atm] type: Q, ref: 1145
Hvpx_____120_82_1 =  7.9E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____120_82_1 =  1.6E+02                                  ! [atm] type: ?, ref: 2440

! species:  1,2,4-trichlorobenzene-d3
! formula:  C_6D_3Cl_3
! trivial:  
! casrn:    2199-72-6
! inchikey: PBKONEOXTCPAFI-CBYSEHNBSA-N
Hvpx____2199_72_6 =  5.6E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,3,5-trichlorobenzene
! formula:  C_6H_3Cl_3
! trivial:  
! casrn:    108-70-3
! inchikey: XKEFYDZQGKAQCN-UHFFFAOYSA-N
Hvpx_____108_70_3 =  3.1E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx_____108_70_3 =  1.0E+02                                  ! [atm] type: M, ref: 1146
Hvpx_____108_70_3 =  1.5E+01                                  ! [atm] type: M, ref: 2448
Hvpx_____108_70_3 =  1.1E+02                                  ! [atm] type: M, ref: 1139
Hvpx_____108_70_3 =  4.0E+02                                  ! [atm] type: V, ref: 1943
Hvpx_____108_70_3 =  6.5E+02                                  ! [atm] type: V, ref: 1943
Hvpx_____108_70_3 =  6.0E+02                                  ! [atm] type: V, ref: 2339
Hvpx_____108_70_3 =  5.5E+01                                  ! [atm] type: V, ref: 477
Hvpx_____108_70_3 =  3.6E+02                                  ! [atm] type: V, ref: 1501
Hvpx_____108_70_3 =  6.0E+02                                  ! [atm] type: V, ref: 633
Hvpx_____108_70_3 =  6.0E+02                                  ! [atm] type: V, ref: 3110
Hvpx_____108_70_3 =  8.8E+01                                  ! [atm] type: V, ref: 479
Hvpx_____108_70_3 =  7.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_70_3 =  7.3E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_70_3 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_70_3 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_70_3 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_70_3 =  1.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_70_3 =  1.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_70_3 =  1.2E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_70_3 =  1.2E+02                                  ! [atm] type: Q, ref: 1935
Hvpx_____108_70_3 =  3.3E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____108_70_3 =  1.6E+02                                  ! [atm] type: Q, ref: 2542
Hvpx_____108_70_3 =  1.2E+02                                  ! [atm] type: Q, ref: 1145
Hvpx_____108_70_3 =  3.0E+02                                  ! [atm] type: ?, ref: 3539
Hvpx_____108_70_3 =  1.0E+02                                  ! [atm] type: ?, ref: 3586

! species:  1,2,3,4-tetrachlorobenzene
! formula:  C_6H_2Cl_4
! trivial:  
! casrn:    634-66-2
! inchikey: GBDZXPJXOMHESU-UHFFFAOYSA-N
Hvpx_____634_66_2 =  1.6E+02                                  ! [atm] type: M, ref: 2935
Hvpx_____634_66_2 =  4.2E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 1146
Hvpx_____634_66_2 =  9.6E+00                                  ! [atm] type: M, ref: 2448
Hvpx_____634_66_2 =  3.8E+01                                  ! [atm] type: M, ref: 1139
Hvpx_____634_66_2 =  6.1E+01                                  ! [atm] type: V, ref: 2612
Hvpx_____634_66_2 =  7.9E+01                                  ! [atm] type: V, ref: 2339
Hvpx_____634_66_2 =  7.9E+01                                  ! [atm] type: V, ref: 633
Hvpx_____634_66_2 =  9.3E+01                                  ! [atm] type: V, ref: 2975
Hvpx_____634_66_2 =  7.9E+01                                  ! [atm] type: V, ref: 3110
Hvpx_____634_66_2 =  1.4E+02                                  ! [atm] type: V, ref: 479
Hvpx_____634_66_2 =  7.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____634_66_2 =  2.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____634_66_2 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____634_66_2 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____634_66_2 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____634_66_2 =  8.9E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____634_66_2 =  7.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____634_66_2 =  2.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____634_66_2 =  1.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____634_66_2 =  6.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____634_66_2 =  9.6E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____634_66_2 =  5.0E+01                                  ! [atm] type: Q, ref: 1935
Hvpx_____634_66_2 =  1.3E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____634_66_2 =  9.6E+01                                  ! [atm] type: Q, ref: 2542
Hvpx_____634_66_2 =  9.0E+01                                  ! [atm] type: Q, ref: 1145
Hvpx_____634_66_2 =  4.2E+01                                  ! [atm] type: ?, ref: 3586

! species:  1,2,3,5-tetrachlorobenzene
! formula:  C_6H_2Cl_4
! trivial:  
! casrn:    634-90-2
! inchikey: QZYNWJQFTJXIRN-UHFFFAOYSA-N
Hvpx_____634_90_2 =  8.7E+01                                  ! [atm] type: M, ref: 2339
Hvpx_____634_90_2 =  5.4E+01                                  ! [atm] type: M, ref: 1146
Hvpx_____634_90_2 =  8.7E+01                                  ! [atm] type: M, ref: 479
Hvpx_____634_90_2 =  3.2E+02                                  ! [atm] type: V, ref: 2612
Hvpx_____634_90_2 =  2.6E+02                                  ! [atm] type: V, ref: 1943
Hvpx_____634_90_2 =  3.1E+02                                  ! [atm] type: V, ref: 1943
Hvpx_____634_90_2 =  3.2E+02                                  ! [atm] type: V, ref: 2339
Hvpx_____634_90_2 =  3.2E+02                                  ! [atm] type: V, ref: 633
Hvpx_____634_90_2 =  3.2E+02                                  ! [atm] type: V, ref: 3110
Hvpx_____634_90_2 =  3.2E+02                                  ! [atm] type: V, ref: 479
Hvpx_____634_90_2 =  8.7E+01                                  ! [atm] type: C, ref: 1145
Hvpx_____634_90_2 =  7.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____634_90_2 =  4.5E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____634_90_2 =  3.2E+02                                  ! [atm] type: Q, ref: 3689
Hvpx_____634_90_2 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____634_90_2 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____634_90_2 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____634_90_2 =  7.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____634_90_2 =  1.0E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____634_90_2 =  7.7E+01                                  ! [atm] type: Q, ref: 1935
Hvpx_____634_90_2 =  1.3E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____634_90_2 =  1.7E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____634_90_2 =  9.6E+01                                  ! [atm] type: Q, ref: 2542
Hvpx_____634_90_2 =  9.0E+01                                  ! [atm] type: Q, ref: 1145
Hvpx_____634_90_2 =  2.2E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____634_90_2 =  8.7E+01                                  ! [atm] type: ?, ref: 3586

! species:  1,2,4,5-tetrachlorobenzene
! formula:  C_6H_2Cl_4
! trivial:  
! casrn:    95-94-3
! inchikey: JHBKHLUZVFWLAG-UHFFFAOYSA-N
Hvpx______95_94_3 =  3.1E+01                                  ! [atm] type: M, ref: 3009
Hvpx______95_94_3 =  8.3E+01                                  ! [atm] type: M, ref: 3014
Hvpx______95_94_3 =  5.5E+01                                  ! [atm] type: M, ref: 1139
Hvpx______95_94_3 =  6.7E+01                                  ! [atm] type: V, ref: 2612
Hvpx______95_94_3 =  2.0E+03                                  ! [atm] type: V, ref: 1943
Hvpx______95_94_3 =  5.1E+02                                  ! [atm] type: V, ref: 1943
Hvpx______95_94_3 =  6.7E+01                                  ! [atm] type: V, ref: 2339
Hvpx______95_94_3 =  6.7E+01                                  ! [atm] type: V, ref: 633
Hvpx______95_94_3 =  6.7E+01                                  ! [atm] type: V, ref: 3110
Hvpx______95_94_3 =  1.4E+02                                  ! [atm] type: V, ref: 479
Hvpx______95_94_3 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______95_94_3 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______95_94_3 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______95_94_3 =  8.9E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______95_94_3 =  6.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______95_94_3 =  3.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______95_94_3 =  1.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______95_94_3 =  5.9E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______95_94_3 =  9.0E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______95_94_3 =  8.1E+01                                  ! [atm] type: Q, ref: 1935
Hvpx______95_94_3 =  1.3E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______95_94_3 =  1.7E+01                                  ! [atm] type: Q, ref: 984
Hvpx______95_94_3 =  9.6E+01                                  ! [atm] type: Q, ref: 2542
Hvpx______95_94_3 =  9.0E+01                                  ! [atm] type: Q, ref: 1145

! species:  pentachlorobenzene
! formula:  C_6HCl_5
! trivial:  
! casrn:    608-93-5
! inchikey: CEOCDNVZRAIOQZ-UHFFFAOYSA-N
Hvpx_____608_93_5 =  3.9E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx_____608_93_5 =  4.0E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2948
Hvpx_____608_93_5 =  3.9E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2948
Hvpx_____608_93_5 =  1.8E+01                                  ! [atm] type: M, ref: 3009
Hvpx_____608_93_5 =  9.8E+01                                  ! [atm] type: M, ref: 3014
Hvpx_____608_93_5 =  3.9E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1146
Hvpx_____608_93_5 =  2.7E+00                                  ! [atm] type: M, ref: 2448
Hvpx_____608_93_5 =  3.9E+01                                  ! [atm] type: M, ref: 1139
Hvpx_____608_93_5 =  4.6E+01                                  ! [atm] type: V, ref: 2612
Hvpx_____608_93_5 =  1.5E+01                                  ! [atm] type: V, ref: 1943
Hvpx_____608_93_5 =  2.3E+01                                  ! [atm] type: V, ref: 1943
Hvpx_____608_93_5 =  4.6E+01                                  ! [atm] type: V, ref: 2339
Hvpx_____608_93_5 =  4.6E+01                                  ! [atm] type: V, ref: 633
Hvpx_____608_93_5 =  4.6E+01                                  ! [atm] type: V, ref: 3110
Hvpx_____608_93_5 =  5.3E+02                                  ! [atm] type: V, ref: 479
Hvpx_____608_93_5 =  7.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____608_93_5 =  3.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____608_93_5 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____608_93_5 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____608_93_5 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____608_93_5 =  6.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____608_93_5 =  8.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____608_93_5 =  3.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____608_93_5 =  7.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____608_93_5 =  7.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____608_93_5 =  5.0E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____608_93_5 =  5.4E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____608_93_5 =  6.9E+01                                  ! [atm] type: Q, ref: 1935
Hvpx_____608_93_5 =  5.8E+01                                  ! [atm] type: Q, ref: 2542
Hvpx_____608_93_5 =  3.9E+01                                  ! [atm] type: ?, ref: 3586

! species:  hexachlorobenzene
! formula:  C_6Cl_6
! trivial:  
! casrn:    118-74-1
! inchikey: CKAPSXZOOQJIBF-UHFFFAOYSA-N
Hvpx_____118_74_1 =  8.4E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____118_74_1 =  2.8E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2948
Hvpx_____118_74_1 =  3.6E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2948
Hvpx_____118_74_1 =  1.6E+01                                  ! [atm] type: M, ref: 3009
Hvpx_____118_74_1 =  7.2E+01                                  ! [atm] type: M, ref: 3014
Hvpx_____118_74_1 =  1.8E+01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2492
Hvpx_____118_74_1 =  1.3E+01                                  ! [atm] type: M, ref: 1195
Hvpx_____118_74_1 =  1.4E+04 * EXP(   -570.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx_____118_74_1 =  2.7E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1146
Hvpx_____118_74_1 =  2.1E-01                                  ! [atm] type: M, ref: 2448
Hvpx_____118_74_1 =  2.7E+01                                  ! [atm] type: M, ref: 1139
Hvpx_____118_74_1 =  3.9E+01                                  ! [atm] type: M, ref: 2533
Hvpx_____118_74_1 =  7.3E+01                                  ! [atm] type: M, ref: 1926
Hvpx_____118_74_1 =  9.4E+01                                  ! [atm] type: M, ref: 2900
Hvpx_____118_74_1 =  7.2E+01                                  ! [atm] type: V, ref: 2612
Hvpx_____118_74_1 =  7.2E+01                                  ! [atm] type: V, ref: 2339
Hvpx_____118_74_1 =  7.1E+01                                  ! [atm] type: V, ref: 477
Hvpx_____118_74_1 =  7.2E+01                                  ! [atm] type: V, ref: 633
Hvpx_____118_74_1 =  7.6E+01                                  ! [atm] type: V, ref: 2974
Hvpx_____118_74_1 =  4.8E+01                                  ! [atm] type: V, ref: 2977
Hvpx_____118_74_1 =  3.9E+00                                  ! [atm] type: V, ref: 2966
Hvpx_____118_74_1 =  2.2E+01                                  ! [atm] type: V, ref: 2975
Hvpx_____118_74_1 =  3.9E+00                                  ! [atm] type: V, ref: 1157
Hvpx_____118_74_1 =  7.6E+01                                  ! [atm] type: V, ref: 3110
Hvpx_____118_74_1 =  3.4E+01                                  ! [atm] type: V, ref: 2971
Hvpx_____118_74_1 =  2.7E+00                                  ! [atm] type: V, ref: 479
Hvpx_____118_74_1 =  1.8E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx_____118_74_1 =  2.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____118_74_1 =  9.4E+01 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____118_74_1 =  5.3E+01                                  ! [atm] type: C, ref: 2521
Hvpx_____118_74_1 =  3.7E+01                                  ! [atm] type: C, ref: 1157
Hvpx_____118_74_1 =  9.5E+01                                  ! [atm] type: C, ref: 2235
Hvpx_____118_74_1 =  9.4E+01                                  ! [atm] type: C, ref: 3083
Hvpx_____118_74_1 =  7.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____118_74_1 =  4.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____118_74_1 =  4.9E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____118_74_1 =  8.9E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____118_74_1 =  3.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____118_74_1 =  5.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____118_74_1 =  2.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____118_74_1 =  2.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____118_74_1 =  3.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____118_74_1 =  2.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____118_74_1 =  8.4E+01                                  ! [atm] type: Q, ref: 1935
Hvpx_____118_74_1 =  3.3E+01                                  ! [atm] type: Q, ref: 2542
Hvpx_____118_74_1 =  6.3E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____118_74_1 =  9.4E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____118_74_1 =  2.3E+04                                  ! [atm] type: ?, ref: 789

! species:  (chloromethyl)-benzene
! formula:  C_6H_5CH_2Cl
! trivial:  benzylchloride
! casrn:    100-44-7
! inchikey: KCXMKQUNVWSEMD-UHFFFAOYSA-N
Hvpx_____100_44_7 =  2.5E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____100_44_7 =  2.8E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____100_44_7 =  1.9E+01                                  ! [atm] type: M, ref: 2450
Hvpx_____100_44_7 =  4.7E+01                                  ! [atm] type: M, ref: 2457
Hvpx_____100_44_7 =  2.3E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____100_44_7 =  2.3E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____100_44_7 =  1.9E+01                                  ! [atm] type: V, ref: 477
Hvpx_____100_44_7 =  3.5E+01                                  ! [atm] type: V, ref: 479
Hvpx_____100_44_7 =  6.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_44_7 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_44_7 =  1.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_44_7 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____100_44_7 =  1.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_44_7 =  2.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_44_7 =  3.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____100_44_7 =  2.4E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____100_44_7 =  5.3E+01                                  ! [atm] type: ?, ref: 1500

! species:  1-chloro-2-methylbenzene
! formula:  C_7H_7Cl
! trivial:  $o$-chlorotoluene
! casrn:    95-49-8
! inchikey: IBSQPLPBRSHTTG-UHFFFAOYSA-N
Hvpx______95_49_8 =  2.4E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______95_49_8 =  1.7E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______95_49_8 =  2.2E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______95_49_8 =  2.0E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1150
Hvpx______95_49_8 =  2.8E+01 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______95_49_8 =  1.9E+02                                  ! [atm] type: C, ref: 2165
Hvpx______95_49_8 =  1.0E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______95_49_8 =  1.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______95_49_8 =  1.3E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______95_49_8 =  1.0E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______95_49_8 =  9.6E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______95_49_8 =  1.8E+02                                  ! [atm] type: Q, ref: 984
Hvpx______95_49_8 =  2.0E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______95_49_8 =  2.0E+02                                  ! [atm] type: ?, ref: 1500

! species:  1-chloro-3-methylbenzene
! formula:  C_7H_7Cl
! trivial:  $m$-chlorotoluene
! casrn:    108-41-8
! inchikey: OSOUNOBYRMOXQQ-UHFFFAOYSA-N
Hvpx_____108_41_8 =  8.9E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____108_41_8 =  8.9E+02                                  ! [atm] type: V, ref: 2165
Hvpx_____108_41_8 =  1.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_41_8 =  1.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_41_8 =  8.6E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_41_8 =  8.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_41_8 =  1.1E+02                                  ! [atm] type: Q, ref: 3764

! species:  1-chloro-4-methylbenzene
! formula:  C_7H_7Cl
! trivial:  $p$-chlorotoluene
! casrn:    106-43-4
! inchikey: NPDACUSDTOMAMK-UHFFFAOYSA-N
Hvpx_____106_43_4 =  2.0E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____106_43_4 =  1.3E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____106_43_4 =  1.9E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____106_43_4 =  2.4E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____106_43_4 =  2.4E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____106_43_4 =  1.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_43_4 =  1.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_43_4 =  6.8E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_43_4 =  1.7E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____106_43_4 =  1.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_43_4 =  8.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_43_4 =  1.1E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____106_43_4 =  1.1E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_43_4 =  2.4E+02                                  ! [atm] type: ?, ref: 2440

! species:  (dichloromethyl)-benzene
! formula:  C_7H_6Cl_2
! trivial:  
! casrn:    98-87-3
! inchikey: CAHQGWAXKLQREW-UHFFFAOYSA-N
Hvpx______98_87_3 =  2.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx______98_87_3 =  3.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______98_87_3 =  4.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______98_87_3 =  1.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______98_87_3 =  5.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______98_87_3 =  5.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______98_87_3 =  1.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______98_87_3 =  2.8E+01                                  ! [atm] type: Q, ref: 2530

! species:  1,2-dichloro-4-methylbenzene
! formula:  C_7H_6Cl_2
! trivial:  3,4-dichlorotoluene
! casrn:    95-75-0
! inchikey: WYUIWKFIFOJVKW-UHFFFAOYSA-N
Hvpx______95_75_0 =  1.4E+02                                  ! [atm] type: V, ref: 3586
Hvpx______95_75_0 =  7.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______95_75_0 =  6.9E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______95_75_0 =  1.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______95_75_0 =  1.3E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______95_75_0 =  6.0E+01                                  ! [atm] type: Q, ref: 3764

! species:  1,3-dichloro-2-methylbenzene
! formula:  C_7H_6Cl_2
! trivial:  2,6-dichlorotoluene
! casrn:    118-69-4
! inchikey: DMEDNTFWIHCBRK-UHFFFAOYSA-N
Hvpx_____118_69_4 =  2.3E+02                                  ! [atm] type: Q, ref: 3088
Hvpx_____118_69_4 =  1.8E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____118_69_4 =  6.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____118_69_4 =  1.3E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____118_69_4 =  3.0E+02                                  ! [atm] type: Q, ref: 2995

! species:  2,4-dichloro-1-methylbenzene
! formula:  C_7H_6Cl_2
! trivial:  2,4-dichlorotoluene
! casrn:    95-73-8
! inchikey: FUNUTBJJKQIVSY-UHFFFAOYSA-N
Hvpx______95_73_8 =  2.0E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx______95_73_8 =  2.0E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______95_73_8 =  2.0E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2926
Hvpx______95_73_8 =  2.3E+02                                  ! [atm] type: Q, ref: 3088
Hvpx______95_73_8 =  1.8E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______95_73_8 =  1.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______95_73_8 =  8.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______95_73_8 =  3.0E+02                                  ! [atm] type: Q, ref: 2995

! species:  2,3,6-trichloromethylbenzene
! formula:  C_7H_5Cl_3
! trivial:  2,3,6-trichlorotoluene
! casrn:    2077-46-5
! inchikey: UZYYBZNZSSNYSA-UHFFFAOYSA-N
Hvpx____2077_46_5 =  8.3E+01                                  ! [atm] type: M, ref: 1139
Hvpx____2077_46_5 =  3.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx____2077_46_5 =  9.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx____2077_46_5 =  1.3E+02                                  ! [atm] type: Q, ref: 1145

! species:  2,4,5-trichloromethylbenzene
! formula:  C_7H_5Cl_3
! trivial:  2,4,5-trichlorotoluene
! casrn:    6639-30-1
! inchikey: ZCXHZKNWIYVQNC-UHFFFAOYSA-N
Hvpx____6639_30_1 =  8.3E+01                                  ! [atm] type: M, ref: 1139
Hvpx____6639_30_1 =  4.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx____6639_30_1 =  8.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx____6639_30_1 =  1.3E+02                                  ! [atm] type: Q, ref: 1145

! species:  2,4,6-trichloromethylbenzene
! formula:  C_7H_5Cl_3
! trivial:  2,4,6-trichlorotoluene
! casrn:    23749-65-7
! inchikey: RCTKUIOMKBEGTG-UHFFFAOYSA-N
Hvpx___23749_65_7 =  8.3E+01                                  ! [atm] type: ?, ref: 3766

! species:  pentachloromethylbenzene
! formula:  C_7H_3Cl_5
! trivial:  2,3,4,5,6-pentachlorotoluene
! casrn:    877-11-2
! inchikey: AVSIMRGRHWKCAY-UHFFFAOYSA-N
Hvpx_____877_11_2 =  4.3E+01                                  ! [atm] type: M, ref: 1139
Hvpx_____877_11_2 =  3.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____877_11_2 =  3.3E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____877_11_2 =  7.4E+01                                  ! [atm] type: Q, ref: 1145

! species:  1-chloro-2-(chloromethyl)benzene
! formula:  C_7H_6Cl_2
! trivial:  
! casrn:    611-19-8
! inchikey: BASMANVIUSSIIM-UHFFFAOYSA-N
Hvpx_____611_19_8 =  8.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____611_19_8 =  7.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____611_19_8 =  2.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____611_19_8 =  8.9E+01                                  ! [atm] type: Q, ref: 2995

! species:  1-chloro-4-(chloromethyl)benzene
! formula:  C_7H_6Cl_2
! trivial:  
! casrn:    104-83-6
! inchikey: JQZAEUFPPSRDOP-UHFFFAOYSA-N
Hvpx_____104_83_6 =  1.9E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____104_83_6 =  8.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_83_6 =  7.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_83_6 =  6.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_83_6 =  8.9E+01                                  ! [atm] type: Q, ref: 2995

! species:  chloro(dichloromethyl)benzene
! formula:  C_7H_5Cl_3
! trivial:  
! casrn:    88-66-4
! inchikey: BXSVYGKOUULJCL-UHFFFAOYSA-N
Hvpx______88_66_4 =  3.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______88_66_4 =  7.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______88_66_4 =  1.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______88_66_4 =  4.1E+01                                  ! [atm] type: Q, ref: 2995

! species:  (trichloromethyl)-benzene
! formula:  C_7H_5Cl_3
! trivial:  
! casrn:    98-07-7
! inchikey: XEMRAKSQROQPBR-UHFFFAOYSA-N
Hvpx______98_07_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3088
Hvpx______98_07_7 =  1.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______98_07_7 =  7.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______98_07_7 =  2.7E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______98_07_7 =  1.2E+02                                  ! [atm] type: Q, ref: 2995

! species:  1-chloro-4-(trichloromethyl)benzene
! formula:  C_7H_4Cl_4
! trivial:  
! casrn:    5216-25-1
! inchikey: LVZPKYYPPLUECL-UHFFFAOYSA-N
Hvpx____5216_25_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____5216_25_1 =  3.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____5216_25_1 =  1.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____5216_25_1 =  8.0E+01                                  ! [atm] type: Q, ref: 2995

! species:  1-chloro-3-ethenylbenzene
! formula:  C_8H_7Cl
! trivial:  
! casrn:    2039-85-2
! inchikey: BOVQCIDBZXNFEJ-UHFFFAOYSA-N
Hvpx____2039_85_2 =  1.2E+02                                  ! [atm] type: Q, ref: 3088

! species:  1-chloro-4-ethenylbenzene
! formula:  C_8H_7Cl
! trivial:  
! casrn:    1073-67-2
! inchikey: KTZVZZJJVJQZHV-UHFFFAOYSA-N
Hvpx____1073_67_2 =  1.2E+02                                  ! [atm] type: Q, ref: 3088

! species:  1,4-dichloro-2,5-dimethylbenzene
! formula:  C_8H_8Cl_2
! trivial:  
! casrn:    1124-05-6
! inchikey: UTGSRNVBAFCOEU-UHFFFAOYSA-N
Hvpx____1124_05_6 =  2.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____1124_05_6 =  4.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1124_05_6 =  1.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____1124_05_6 =  2.4E+02                                  ! [atm] type: Q, ref: 2995

! species:  1,4-bis(trichloromethyl)benzene
! formula:  C_8H_4Cl_6
! trivial:  
! casrn:    68-36-0
! inchikey: OTEKOJQFKOIXMU-UHFFFAOYSA-N
Hvpx______68_36_0 =  6.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______68_36_0 =  1.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______68_36_0 =  4.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______68_36_0 =  9.4E+01                                  ! [atm] type: Q, ref: 2995

! species:  $\alpha$,$\alpha$-dichloro-$o$-xylene
! formula:  C_8H_8Cl_2
! trivial:  
! casrn:    612-12-4
! inchikey: FMGGHNGKHRCJLL-UHFFFAOYSA-N
Hvpx_____612_12_4 =  5.3E+00 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  2-chlorostyrene
! formula:  C_8H_7Cl
! trivial:  
! casrn:    2039-87-4
! inchikey: ISRGONDNXBCDBM-UHFFFAOYSA-N
Hvpx____2039_87_4 =  1.2E+02                                  ! [atm] type: Q, ref: 3088
Hvpx____2039_87_4 =  8.7E+01                                  ! [atm] type: Q, ref: 2521

! species:  octachlorostyrene
! formula:  C_8Cl_8
! trivial:  
! casrn:    29082-74-4
! inchikey: RUYUCCQRWINUHE-UHFFFAOYSA-N
Hvpx___29082_74_4 =  7.2E+00                                  ! [atm] type: M, ref: 1139
Hvpx___29082_74_4 =  1.3E+01                                  ! [atm] type: Q, ref: 3088
Hvpx___29082_74_4 =  3.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___29082_74_4 =  1.3E+01                                  ! [atm] type: Q, ref: 1145

! species:  heptachlor
! formula:  C_{10}H_5Cl_7
! trivial:  
! casrn:    76-44-8
! inchikey: FRCCEHPWNOQAEU-UHFFFAOYSA-N
Hvpx______76_44_8 =  1.6E+01                                  ! [atm] type: L, ref: 2948
Hvpx______76_44_8 =  2.1E+01                                  ! [atm] type: L, ref: 2948
Hvpx______76_44_8 =  2.8E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx______76_44_8 =  1.6E+01                                  ! [atm] type: M, ref: 1195
Hvpx______76_44_8 =  8.2E+01                                  ! [atm] type: M, ref: 2900
Hvpx______76_44_8 =  1.9E+02                                  ! [atm] type: V, ref: 2614
Hvpx______76_44_8 =  6.1E+01                                  ! [atm] type: V, ref: 1157
Hvpx______76_44_8 =  6.2E+03                                  ! [atm] type: X, ref: barcelo97
Hvpx______76_44_8 =  1.3E+02                                  ! [atm] type: X, ref: mccarty80
Hvpx______76_44_8 =  8.2E+01                                  ! [atm] type: C, ref: 1145
Hvpx______76_44_8 =  8.4E+01                                  ! [atm] type: C, ref: 2235
Hvpx______76_44_8 =  8.2E+01                                  ! [atm] type: C, ref: 3083
Hvpx______76_44_8 =  4.2E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______76_44_8 =  1.9E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______76_44_8 =  2.8E+03                                  ! [atm] type: Q, ref: 3729
Hvpx______76_44_8 =  2.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______76_44_8 =  9.4E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______76_44_8 =  9.7E+00                                  ! [atm] type: Q, ref: 1145
Hvpx______76_44_8 =  1.6E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______76_44_8 =  1.9E+02                                  ! [atm] type: ?, ref: 3087

! species:  1-chloro-2-methyl-2-phenylpropane
! formula:  C_{10}H_{13}Cl
! trivial:  
! casrn:    515-40-2
! inchikey: DNXXUUPUQXSUFH-UHFFFAOYSA-N
Hvpx_____515_40_2 =  2.7E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____515_40_2 =  5.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____515_40_2 =  3.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____515_40_2 =  3.3E+02                                  ! [atm] type: Q, ref: 2995

! species:  1,3-dichloro-5-[(2$S$)-2,4,4,4-tetrachlorobutan-2-yl]benzene
! formula:  C_{10}H_8Cl_6
! trivial:  
! casrn:    73588-42-8
! inchikey: DELZPCKTBPIBEE-VIFPVBQESA-N
Hvpx___73588_42_8 =  6.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___73588_42_8 =  8.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___73588_42_8 =  3.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___73588_42_8 =  1.9E+02                                  ! [atm] type: Q, ref: 2995

! species:  1,2,3,4,5,6,7,8,8-nonachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene
! formula:  C_{10}H_5Cl_9
! trivial:  nonachlor
! casrn:    3734-49-4
! inchikey: OCHOKXCPKDPNQU-UHFFFAOYSA-N
Hvpx____3734_49_4 =  1.4E+00                                  ! [atm] type: Q, ref: 3088

! species:  1,1-dichloro-2,2-bis-(4-chlorophenyl)-ethane
! formula:  C_{14}H_{10}Cl_4
! trivial:  p,p'-DDD
! casrn:    72-54-8
! inchikey: AHJKRLASYNVKDZ-UHFFFAOYSA-N
Hvpx______72_54_8 =  3.7E-01                                  ! [atm] type: L, ref: 2948
Hvpx______72_54_8 =  2.7E-01                                  ! [atm] type: L, ref: 2948
Hvpx______72_54_8 =  7.2E-01                                  ! [atm] type: M, ref: 3404
Hvpx______72_54_8 =  6.0E-01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx______72_54_8 =  3.7E-01                                  ! [atm] type: M, ref: 1195
Hvpx______72_54_8 =  4.9E+00                                  ! [atm] type: V, ref: 2974
Hvpx______72_54_8 =  3.5E-01                                  ! [atm] type: V, ref: 1157
Hvpx______72_54_8 =  1.2E+00                                  ! [atm] type: V, ref: 2971
Hvpx______72_54_8 =  1.9E+01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx______72_54_8 =  6.8E+02                                  ! [atm] type: C, ref: 2235
Hvpx______72_54_8 =  1.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______72_54_8 =  5.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______72_54_8 =  2.6E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______72_54_8 =  1.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______72_54_8 =  3.7E-01                                  ! [atm] type: ?, ref: 3586

! species:  mitotane
! formula:  C_{14}H_{10}Cl_4
! trivial:  o,p'-DDD
! casrn:    53-19-0
! inchikey: JWBOIMRXGHLCPP-UHFFFAOYSA-N
Hvpx______53_19_0 =  4.5E-01                                  ! [atm] type: V, ref: 3586
Hvpx______53_19_0 =  4.5E-01                                  ! [atm] type: V, ref: 3088
Hvpx______53_19_0 =  3.5E-01                                  ! [atm] type: V, ref: 1157
Hvpx______53_19_0 =  9.8E-04                                  ! [atm] type: C, ref: 1157
Hvpx______53_19_0 =  5.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______53_19_0 =  2.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______53_19_0 =  3.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______53_19_0 =  4.9E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______53_19_0 =  1.4E+00                                  ! [atm] type: Q, ref: 2995

! species:  1,1-dichloro-2,2-bis-(4-chlorophenyl)-ethene
! formula:  C_{14}H_8Cl_4
! trivial:  p,p'-DDE
! casrn:    72-55-9
! inchikey: UCNVFOCBFJOQAL-UHFFFAOYSA-N
Hvpx______72_55_9 =  2.3E+00                                  ! [atm] type: L, ref: 2948
Hvpx______72_55_9 =  2.3E+00                                  ! [atm] type: L, ref: 2948
Hvpx______72_55_9 =  1.9E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2492
Hvpx______72_55_9 =  3.5E+00 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx______72_55_9 =  2.3E+00                                  ! [atm] type: M, ref: 1195
Hvpx______72_55_9 =  6.7E+01                                  ! [atm] type: M, ref: 1926
Hvpx______72_55_9 =  1.9E+01                                  ! [atm] type: V, ref: 2974
Hvpx______72_55_9 =  3.4E+00                                  ! [atm] type: V, ref: 2977
Hvpx______72_55_9 =  7.2E-01                                  ! [atm] type: V, ref: 2975
Hvpx______72_55_9 =  4.3E+00                                  ! [atm] type: V, ref: 1157
Hvpx______72_55_9 =  1.1E+01                                  ! [atm] type: V, ref: 2971
Hvpx______72_55_9 =  4.4E+00                                  ! [atm] type: V, ref: 3587
Hvpx______72_55_9 =  2.1E+01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx______72_55_9 =  1.2E+00                                  ! [atm] type: C, ref: 1157
Hvpx______72_55_9 =  1.2E+00                                  ! [atm] type: C, ref: 2235
Hvpx______72_55_9 =  6.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______72_55_9 =  1.3E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______72_55_9 =  3.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______72_55_9 =  2.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______72_55_9 =  2.3E+00                                  ! [atm] type: ?, ref: 3586

! species:  o,p'-DDE
! formula:  C_{14}H_8Cl_4
! trivial:  
! casrn:    3424-82-6
! inchikey: ZDYJWDIWLRZXDB-UHFFFAOYSA-N
Hvpx____3424_82_6 =  1.0E+00                                  ! [atm] type: V, ref: 3586
Hvpx____3424_82_6 =  1.4E+00                                  ! [atm] type: V, ref: 2614
Hvpx____3424_82_6 =  1.4E+00                                  ! [atm] type: V, ref: 1157
Hvpx____3424_82_6 =  4.0E+00                                  ! [atm] type: C, ref: 1157
Hvpx____3424_82_6 =  1.3E+01                                  ! [atm] type: Q, ref: 3586

! species:  1,1,1-trichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane
! formula:  C_{14}H_9Cl_5
! trivial:  o,p'-DDT
! casrn:    789-02-6
! inchikey: CVUGPAFCQJIYDT-UHFFFAOYSA-N
Hvpx_____789_02_6 =  4.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____789_02_6 =  1.9E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____789_02_6 =  2.9E+01                                  ! [atm] type: V, ref: 2977
Hvpx_____789_02_6 =  1.2E+01                                  ! [atm] type: Q, ref: 3586

! species:  1,1,1-trichloro-2,2-bis-(4-chlorophenyl)-ethane
! formula:  C_{14}H_9Cl_5
! trivial:  DDT; p,p'-DDT
! casrn:    50-29-3
! inchikey: YVGGHNCTFXOJCH-UHFFFAOYSA-N
Hvpx______50_29_3 =  6.0E-01                                  ! [atm] type: L, ref: 2948
Hvpx______50_29_3 =  6.0E-01                                  ! [atm] type: L, ref: 2948
Hvpx______50_29_3 =  2.9E+00                                  ! [atm] type: L, ref: 479
Hvpx______50_29_3 =  6.1E-01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx______50_29_3 =  4.6E-01                                  ! [atm] type: M, ref: 1195
Hvpx______50_29_3 =  7.1E-01                                  ! [atm] type: M, ref: 901
Hvpx______50_29_3 =  4.7E-01                                  ! [atm] type: M, ref: 901
Hvpx______50_29_3 =  3.3E+00                                  ! [atm] type: V, ref: 2974
Hvpx______50_29_3 =  1.6E+00                                  ! [atm] type: V, ref: 2977
Hvpx______50_29_3 =  1.3E+00                                  ! [atm] type: V, ref: 1157
Hvpx______50_29_3 =  8.9E-01                                  ! [atm] type: V, ref: 2976
Hvpx______50_29_3 =  1.5E+00                                  ! [atm] type: V, ref: 2971
Hvpx______50_29_3 =  4.2E+00                                  ! [atm] type: V, ref: 2968
Hvpx______50_29_3 =  2.2E+00                                  ! [atm] type: V, ref: 2471
Hvpx______50_29_3 =  2.9E+01 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx______50_29_3 =  1.3E+02                                  ! [atm] type: X, ref: barcelo97
Hvpx______50_29_3 =  3.3E+00                                  ! [atm] type: C, ref: 1157
Hvpx______50_29_3 =  2.7E+00                                  ! [atm] type: C, ref: 2235
Hvpx______50_29_3 =  1.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______50_29_3 =  1.2E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______50_29_3 =  8.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______50_29_3 =  8.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______50_29_3 =  3.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______50_29_3 =  2.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______50_29_3 =  7.1E+01                                  ! [atm] type: Q, ref: 3729
Hvpx______50_29_3 =  8.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______50_29_3 =  1.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______50_29_3 =  4.6E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______50_29_3 =  2.0E+00                                  ! [atm] type: ?, ref: 695

! species:  aldrin
! formula:  C_{12}H_8Cl_6
! trivial:  
! casrn:    309-00-2
! inchikey: QBYJBZPUGVGKQQ-SJJAEHHWSA-N
Hvpx_____309_00_2 =  8.2E+00                                  ! [atm] type: L, ref: 2948
Hvpx_____309_00_2 =  1.3E+01                                  ! [atm] type: L, ref: 2948
Hvpx_____309_00_2 =  1.5E+00                                  ! [atm] type: L, ref: 479
Hvpx_____309_00_2 =  2.1E+00                                  ! [atm] type: M, ref: 3404
Hvpx_____309_00_2 =  2.5E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx_____309_00_2 =  2.4E+00                                  ! [atm] type: M, ref: 1195
Hvpx_____309_00_2 =  2.7E+01                                  ! [atm] type: M, ref: 2900
Hvpx_____309_00_2 =  5.0E+01                                  ! [atm] type: V, ref: 2614
Hvpx_____309_00_2 =  5.0E+01                                  ! [atm] type: V, ref: 1157
Hvpx_____309_00_2 =  8.0E-01                                  ! [atm] type: V, ref: 2471
Hvpx_____309_00_2 =  5.0E+03                                  ! [atm] type: X, ref: barcelo97
Hvpx_____309_00_2 =  2.7E+01                                  ! [atm] type: C, ref: 2521
Hvpx_____309_00_2 =  2.7E+01                                  ! [atm] type: C, ref: 1145
Hvpx_____309_00_2 =  7.8E-01                                  ! [atm] type: C, ref: 1157
Hvpx_____309_00_2 =  9.0E-01                                  ! [atm] type: C, ref: 1157
Hvpx_____309_00_2 =  2.1E+01                                  ! [atm] type: C, ref: 1157
Hvpx_____309_00_2 =  2.7E+01                                  ! [atm] type: C, ref: 1157
Hvpx_____309_00_2 =  6.6E-01                                  ! [atm] type: C, ref: 2235
Hvpx_____309_00_2 =  2.7E+01                                  ! [atm] type: C, ref: 3083
Hvpx_____309_00_2 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____309_00_2 =  2.3E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____309_00_2 =  8.5E+02                                  ! [atm] type: Q, ref: 3729
Hvpx_____309_00_2 =  6.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____309_00_2 =  3.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____309_00_2 =  2.1E+01                                  ! [atm] type: Q, ref: 1145
Hvpx_____309_00_2 =  2.4E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____309_00_2 =  6.5E-01                                  ! [atm] type: ?, ref: 695

! species:  isodrin
! formula:  C_{12}H_8Cl_6
! trivial:  
! casrn:    465-73-6
! inchikey: QBYJBZPUGVGKQQ-DIFDVCDBSA-N
Hvpx_____465_73_6 =  2.2E+01                                  ! [atm] type: Q, ref: 3088

! species:  1,1'-(2,2-dichloroethylidene)bis[4-ethylbenzene
! formula:  C_{18}H_{20}Cl_2
! trivial:  perthane
! casrn:    72-56-0
! inchikey: QFMDFTQOJHFVNR-UHFFFAOYSA-N
Hvpx______72_56_0 =  9.4E+00                                  ! [atm] type: Q, ref: 3088

! species:  1-chloronaphthalene
! formula:  C_{10}H_7Cl
! trivial:  PCN-1
! casrn:    90-13-1
! inchikey: JTPNRXUCIXHOKM-UHFFFAOYSA-N
Hvpx______90_13_1 =  2.0E+01                                  ! [atm] type: M, ref: 2339
Hvpx______90_13_1 =  1.9E+02                                  ! [atm] type: M, ref: 479
Hvpx______90_13_1 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______90_13_1 =  1.2E+01                                  ! [atm] type: X, ref: yaws2005
Hvpx______90_13_1 =  2.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______90_13_1 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______90_13_1 =  4.8E+01                                  ! [atm] type: Q, ref: 3689
Hvpx______90_13_1 =  1.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx______90_13_1 =  1.0E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______90_13_1 =  9.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______90_13_1 =  7.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______90_13_1 =  1.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______90_13_1 =  5.0E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______90_13_1 =  8.3E+00                                  ! [atm] type: Q, ref: 2482
Hvpx______90_13_1 =  2.0E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______90_13_1 =  1.1E+01                                  ! [atm] type: ?, ref: 2440

! species:  2-chloronaphthalene
! formula:  C_{10}H_7Cl
! trivial:  PCN-2
! casrn:    91-58-7
! inchikey: CGYGETOMCSJHJU-UHFFFAOYSA-N
Hvpx______91_58_7 =  1.8E+01                                  ! [atm] type: M, ref: 2339
Hvpx______91_58_7 =  1.7E+01                                  ! [atm] type: M, ref: 479
Hvpx______91_58_7 =  3.7E+01                                  ! [atm] type: V, ref: 2439
Hvpx______91_58_7 =  3.4E+01 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______91_58_7 =  1.8E+01                                  ! [atm] type: C, ref: 2235
Hvpx______91_58_7 =  2.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______91_58_7 =  1.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______91_58_7 =  9.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______91_58_7 =  5.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______91_58_7 =  1.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______91_58_7 =  8.3E+00                                  ! [atm] type: Q, ref: 2482
Hvpx______91_58_7 =  1.8E+01                                  ! [atm] type: ?, ref: 3586

! species:  1,2-dichloronaphthalene
! formula:  C_{10}H_6Cl_2
! trivial:  PCN-3
! casrn:    2050-69-3
! inchikey: MOXLHAPKZWTHEX-UHFFFAOYSA-N
Hvpx____2050_69_3 =  4.6E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,3-dichloronaphthalene
! formula:  C_{10}H_6Cl_2
! trivial:  PCN-4
! casrn:    2198-75-6
! inchikey: AMCBMCWLCDERHY-UHFFFAOYSA-N
Hvpx____2198_75_6 =  1.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____2198_75_6 =  7.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____2198_75_6 =  1.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____2198_75_6 =  1.2E+01                                  ! [atm] type: Q, ref: 2995

! species:  1,4-dichloronaphthalene
! formula:  C_{10}H_6Cl_2
! trivial:  PCN-5
! casrn:    1825-31-6
! inchikey: JDPKCYMVSKDOGS-UHFFFAOYSA-N
Hvpx____1825_31_6 =  2.3E+01                                  ! [atm] type: V, ref: 3586
Hvpx____1825_31_6 =  1.7E+01                                  ! [atm] type: Q, ref: 3586

! species:  1,5-dichloronaphthalene
! formula:  C_{10}H_6Cl_2
! trivial:  PCN-6
! casrn:    1825-30-5
! inchikey: ZBQZXTBAGBTUAD-UHFFFAOYSA-N
Hvpx____1825_30_5 =  1.4E+01                                  ! [atm] type: ?, ref: 3766

! species:  2,7-dichloronaphthalene
! formula:  C_{10}H_6Cl_2
! trivial:  PCN-12
! casrn:    2198-77-8
! inchikey: DWBQZSYTSNYEEJ-UHFFFAOYSA-N
Hvpx____2198_77_8 =  1.7E+01                                  ! [atm] type: ?, ref: 3766

! species:  1,2,4-trichloronaphthalene
! formula:  C_{10}H_5Cl_3
! trivial:  PCN-14
! casrn:    50402-51-2
! inchikey: MRJBOPVWPORBKZ-UHFFFAOYSA-N
Hvpx___50402_51_2 =  6.6E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,5-trichloronaphthalene
! formula:  C_{10}H_5Cl_3
! trivial:  PCN-15
! casrn:    55720-33-7
! inchikey: MMHZKSMAFILONG-UHFFFAOYSA-N
Hvpx___55720_33_7 =  5.0E+00 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,6-trichloronaphthalene
! formula:  C_{10}H_5Cl_3
! trivial:  PCN-16
! casrn:    51570-44-6
! inchikey: AAUJSCRITBXDJH-UHFFFAOYSA-N
Hvpx___51570_44_6 =  3.3E+00 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,7-trichloronaphthalene
! formula:  C_{10}H_5Cl_3
! trivial:  PCN-17
! casrn:    55720-34-8
! inchikey: QYYUVUXSJZJCLQ-UHFFFAOYSA-N
Hvpx___55720_34_8 =  3.7E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,3,5-trichloronaphthalene
! formula:  C_{10}H_5Cl_3
! trivial:  PCN-19
! casrn:    51570-43-5
! inchikey: DZHZYPCCEISGSQ-UHFFFAOYSA-N
Hvpx___51570_43_5 =  7.7E+00 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,4,5-trichloronaphthalene
! formula:  C_{10}H_5Cl_3
! trivial:  PCN-23
! casrn:    2437-55-0
! inchikey: VQSNXLCFFHGXTI-UHFFFAOYSA-N
Hvpx____2437_55_0 =  2.4E+00 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,4,6-trichloronaphthalene
! formula:  C_{10}H_5Cl_3
! trivial:  PCN-24
! casrn:    2437-54-9
! inchikey: RLTTZFDRZKJVKJ-UHFFFAOYSA-N
Hvpx____2437_54_9 =  6.6E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,6,7-trichloronaphthalene
! formula:  C_{10}H_5Cl_3
! trivial:  PCN-25
! casrn:    55720-39-3
! inchikey: FUEZTEBYLIMNHN-UHFFFAOYSA-N
Hvpx___55720_39_3 =  3.7E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,3,4-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-27
! casrn:    20020-02-4
! inchikey: NAQWICRLNQSPPW-UHFFFAOYSA-N
Hvpx___20020_02_4 =  1.3E+01                                  ! [atm] type: V, ref: 3586
Hvpx___20020_02_4 =  1.3E+01                                  ! [atm] type: V, ref: 3088
Hvpx___20020_02_4 =  6.6E+00                                  ! [atm] type: Q, ref: 3586

! species:  1,2,3,5-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-28
! casrn:    53555-63-8
! inchikey: HJJKSUVYCQAMBG-UHFFFAOYSA-N
Hvpx___53555_63_8 =  4.2E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,4,5-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-32
! casrn:    6733-54-6
! inchikey: BIVDISPRSYAHQQ-UHFFFAOYSA-N
Hvpx____6733_54_6 =  3.6E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,4,6-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-33
! casrn:    51570-45-7
! inchikey: GLVVZPZGCNEVEM-UHFFFAOYSA-N
Hvpx___51570_45_7 =  7.0E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,4,7-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-34
! casrn:    67922-21-8
! inchikey: PWXOBMRJWBBEED-UHFFFAOYSA-N
Hvpx___67922_21_8 =  7.0E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,4,8-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-35
! casrn:    6529-87-9
! inchikey: WCMSFBRREKZZFL-UHFFFAOYSA-N
Hvpx____6529_87_9 =  3.0E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,5,6-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-36
! casrn:    67922-22-9
! inchikey: ZPUUGNBIWHBXBM-UHFFFAOYSA-N
Hvpx___67922_22_9 =  5.5E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,5,7-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-37
! casrn:    67922-23-0
! inchikey: KQZUIOXHRIVQGR-UHFFFAOYSA-N
Hvpx___67922_23_0 =  7.0E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,5,8-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-38
! casrn:    149864-80-2
! inchikey: DLTBLLHAQLBHDR-UHFFFAOYSA-N
Hvpx__149864_80_2 =  2.4E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,6,8-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-40
! casrn:    67922-24-1
! inchikey: OVAYDYKVLHHIDQ-UHFFFAOYSA-N
Hvpx___67922_24_1 =  2.4E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,3,5,7-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-42
! casrn:    53555-64-9
! inchikey: OTTCXKPQKOLSJN-UHFFFAOYSA-N
Hvpx___53555_64_9 =  9.8E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,3,5,8-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-43
! casrn:    31604-28-1
! inchikey: VFTLNRFRXWCJJK-UHFFFAOYSA-N
Hvpx___31604_28_1 =  4.1E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,3,6,8-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-45
! casrn:    150224-15-0
! inchikey: XXWQPOHDPJIYIN-UHFFFAOYSA-N
Hvpx__150224_15_0 =  5.5E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,4,5,8-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-46
! casrn:    3432-57-3
! inchikey: LITCKAVLJAKHOE-UHFFFAOYSA-N
Hvpx____3432_57_3 =  1.5E+00 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,4,6,7-tetrachloronaphthalene
! formula:  C_{10}H_4Cl_4
! trivial:  PCN-47
! casrn:    55720-43-9
! inchikey: VJZRCIYSYVGDMU-UHFFFAOYSA-N
Hvpx___55720_43_9 =  6.0E+00 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,3,4,6-pentachloronaphthalene
! formula:  C_{10}H_3Cl_5
! trivial:  PCN-50
! casrn:    67922-26-3
! inchikey: BAOLNVSMVTYGDA-UHFFFAOYSA-N
Hvpx___67922_26_3 =  7.0E+00 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,3,5,7-pentachloronaphthalene
! formula:  C_{10}H_3Cl_5
! trivial:  PCN-52
! casrn:    53555-65-0
! inchikey: OVSKLQPHXHPXDR-UHFFFAOYSA-N
Hvpx___53555_65_0 =  7.9E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,3,5,8-pentachloronaphthalene
! formula:  C_{10}H_3Cl_5
! trivial:  PCN-53
! casrn:    150224-24-1
! inchikey: HVYRFNJXZVEGFK-UHFFFAOYSA-N
Hvpx__150224_24_1 =  3.2E+00 * EXP(  -9700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,4,5,6-pentachloronaphthalene
! formula:  C_{10}H_3Cl_5
! trivial:  PCN-57
! casrn:    150224-20-7
! inchikey: KPOZENRUJCHWOA-UHFFFAOYSA-N
Hvpx__150224_20_7 =  3.9E+00 * EXP(  -9500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,4,5,7-pentachloronaphthalene
! formula:  C_{10}H_3Cl_5
! trivial:  PCN-58
! casrn:    150224-19-4
! inchikey: WYLDWCYZCFRVRH-UHFFFAOYSA-N
Hvpx__150224_19_4 =  6.1E+00 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,4,5,8-pentachloronaphthalene
! formula:  C_{10}H_3Cl_5
! trivial:  PCN-59
! casrn:    150224-25-2
! inchikey: FEIKEVSWLMYFFF-UHFFFAOYSA-N
Hvpx__150224_25_2 =  2.1E+00 * EXP(  -9100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,4,6,7-pentachloronaphthalene
! formula:  C_{10}H_3Cl_5
! trivial:  PCN-60
! casrn:    150224-17-2
! inchikey: GXQUDLBNLKOIQB-UHFFFAOYSA-N
Hvpx__150224_17_2 =  7.9E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,4,6,8-pentachloronaphthalene
! formula:  C_{10}H_3Cl_5
! trivial:  PCN-61
! casrn:    150224-22-9
! inchikey: HGSDQSUMXKHGTH-UHFFFAOYSA-N
Hvpx__150224_22_9 =  5.4E+00 * EXP(  -8800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,4,7,8-pentachloronaphthalene
! formula:  C_{10}H_3Cl_5
! trivial:  PCN-62
! casrn:    150224-21-8
! inchikey: LBCOXKFWBDTJTF-UHFFFAOYSA-N
Hvpx__150224_21_8 =  3.2E+00 * EXP(  -9200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,3,4,5,6-hexachloronaphthalene
! formula:  C_{10}H_2Cl_6
! trivial:  PCN-63
! casrn:    58877-88-6
! inchikey: CTLMCQOGOWNFHA-UHFFFAOYSA-N
Hvpx___58877_88_6 =  7.0E-01 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,3,4,5,7-hexachloronaphthalene
! formula:  C_{10}H_2Cl_6
! trivial:  PCN-64
! casrn:    67922-27-4
! inchikey: SWRNUKWDDYPZGV-UHFFFAOYSA-N
Hvpx___67922_27_4 =  1.5E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,3,4,5,8-hexachloronaphthalene
! formula:  C_{10}H_2Cl_6
! trivial:  PCN-65
! casrn:    103426-93-3
! inchikey: PGCDNPCENWGYMA-UHFFFAOYSA-N
Hvpx__103426_93_3 =  5.8E-01 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,3,4,6,7-hexachloronaphthalene
! formula:  C_{10}H_2Cl_6
! trivial:  PCN-66
! casrn:    103426-96-6
! inchikey: ZRNSVEOEIWQEMU-UHFFFAOYSA-N
Hvpx__103426_96_6 =  1.3E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,3,5,6,7-hexachloronaphthalene
! formula:  C_{10}H_2Cl_6
! trivial:  PCN-67
! casrn:    103426-97-7
! inchikey: XZLJCGGEQLNWDT-UHFFFAOYSA-N
Hvpx__103426_97_7 =  2.2E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,3,5,6,8-hexachloronaphthalene
! formula:  C_{10}H_2Cl_6
! trivial:  PCN-68
! casrn:    103426-95-5
! inchikey: FQELOCOACCYGLL-UHFFFAOYSA-N
Hvpx__103426_95_5 =  1.5E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,3,5,7,8-hexachloronaphthalene
! formula:  C_{10}H_2Cl_6
! trivial:  PCN-69
! casrn:    103426-94-4
! inchikey: JPQLLIUTUFJWMH-UHFFFAOYSA-N
Hvpx__103426_94_4 =  1.3E+00 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,4,5,6,8-hexachloronaphthalene
! formula:  C_{10}H_2Cl_6
! trivial:  PCN-71
! casrn:    90948-28-0
! inchikey: JHKLUUFTHIWTKX-UHFFFAOYSA-N
Hvpx___90948_28_0 =  1.2E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,4,5,7,8-hexachloronaphthalene
! formula:  C_{10}H_2Cl_6
! trivial:  PCN-72
! casrn:    103426-92-2
! inchikey: SFZREMCYQNYZMZ-UHFFFAOYSA-N
Hvpx__103426_92_2 =  1.2E+00                                  ! [atm] type: ?, ref: 3766

! species:  1,2,3,4,5,6,7-heptachloronaphthalene
! formula:  C_{10}HCl_7
! trivial:  PCN-73
! casrn:    58863-14-2
! inchikey: NDZIBNJHNBUHKW-UHFFFAOYSA-N
Hvpx___58863_14_2 =  1.5E-01 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  1,2,3,4,5,6,8-heptachloronaphthalene
! formula:  C_{10}HCl_7
! trivial:  PCN-74
! casrn:    58863-15-3
! inchikey: QYEGXUUXWMKHHS-UHFFFAOYSA-N
Hvpx___58863_15_3 =  2.3E-01 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732

! species:  octachloronaphthalene
! formula:  C_{10}Cl_8
! trivial:  PCN-75
! casrn:    2234-13-1
! inchikey: RTNLUFLDZOAXIC-UHFFFAOYSA-N
Hvpx____2234_13_1 =  4.5E-01 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3732
Hvpx____2234_13_1 =  4.0E+01                                  ! [atm] type: V, ref: 3586
Hvpx____2234_13_1 =  4.0E+01                                  ! [atm] type: V, ref: 3088
Hvpx____2234_13_1 =  7.0E+00                                  ! [atm] type: Q, ref: 3586

! species:  2-chlorobiphenyl
! formula:  C_{12}H_9Cl
! trivial:  PCB-1
! casrn:    2051-60-7
! inchikey: LAXBNTIAOJWAOP-UHFFFAOYSA-N
Hvpx____2051_60_7 =  1.8E+01                                  ! [atm] type: M, ref: 2564
Hvpx____2051_60_7 =  2.4E+01                                  ! [atm] type: M, ref: 2564
Hvpx____2051_60_7 =  1.8E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx____2051_60_7 =  1.1E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx____2051_60_7 =  3.3E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx____2051_60_7 =  3.8E+01                                  ! [atm] type: V, ref: 2612
Hvpx____2051_60_7 =  3.8E+01                                  ! [atm] type: V, ref: 633
Hvpx____2051_60_7 =  2.0E+02                                  ! [atm] type: V, ref: 2439
Hvpx____2051_60_7 =  3.8E+01                                  ! [atm] type: V, ref: 2302
Hvpx____2051_60_7 =  1.6E+01                                  ! [atm] type: V, ref: 850
Hvpx____2051_60_7 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx____2051_60_7 =  1.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx____2051_60_7 =  2.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx____2051_60_7 =  7.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx____2051_60_7 =  3.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2051_60_7 =  2.5E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2051_60_7 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx____2051_60_7 =  4.1E+01                                  ! [atm] type: ?, ref: 3586

! species:  3-chlorobiphenyl
! formula:  C_{12}H_9Cl
! trivial:  PCB-2
! casrn:    2051-61-8
! inchikey: NMWSKOLWZZWHPL-UHFFFAOYSA-N
Hvpx____2051_61_8 =  1.7E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx____2051_61_8 =  4.1E+01                                  ! [atm] type: V, ref: 2612
Hvpx____2051_61_8 =  4.1E+01                                  ! [atm] type: V, ref: 633
Hvpx____2051_61_8 =  4.2E+01                                  ! [atm] type: V, ref: 2302
Hvpx____2051_61_8 =  7.9E+00                                  ! [atm] type: V, ref: 850
Hvpx____2051_61_8 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx____2051_61_8 =  1.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx____2051_61_8 =  1.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx____2051_61_8 =  4.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx____2051_61_8 =  1.5E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2051_61_8 =  1.8E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2051_61_8 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx____2051_61_8 =  3.4E+01                                  ! [atm] type: ?, ref: 3586

! species:  4-chlorobiphenyl
! formula:  C_{12}H_9Cl
! trivial:  PCB-3
! casrn:    2051-62-9
! inchikey: FPWNLURCHDRMHC-UHFFFAOYSA-N
Hvpx____2051_62_9 =  2.0E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx____2051_62_9 =  1.3E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx____2051_62_9 =  1.5E+01                                  ! [atm] type: M, ref: 2564
Hvpx____2051_62_9 =  1.9E+01                                  ! [atm] type: M, ref: 2564
Hvpx____2051_62_9 =  1.6E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx____2051_62_9 =  9.7E+00 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx____2051_62_9 =  3.8E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx____2051_62_9 =  2.3E+01                                  ! [atm] type: V, ref: 2612
Hvpx____2051_62_9 =  2.3E+01                                  ! [atm] type: V, ref: 633
Hvpx____2051_62_9 =  2.3E+01                                  ! [atm] type: V, ref: 2302
Hvpx____2051_62_9 =  7.1E+00                                  ! [atm] type: V, ref: 850
Hvpx____2051_62_9 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx____2051_62_9 =  1.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx____2051_62_9 =  1.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx____2051_62_9 =  4.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx____2051_62_9 =  2.6E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2051_62_9 =  1.6E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2051_62_9 =  1.5E+01                                  ! [atm] type: Q, ref: 2475
Hvpx____2051_62_9 =  3.2E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,2'-dichlorobiphenyl
! formula:  C_{12}H_8Cl_2
! trivial:  PCB-4
! casrn:    13029-08-8
! inchikey: JAYCNKDKIKZTAF-UHFFFAOYSA-N
Hvpx___13029_08_8 =  1.2E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___13029_08_8 =  1.4E+01                                  ! [atm] type: M, ref: 1144
Hvpx___13029_08_8 =  1.9E+01                                  ! [atm] type: M, ref: 643
Hvpx___13029_08_8 =  1.9E+01                                  ! [atm] type: M, ref: 1140
Hvpx___13029_08_8 =  1.6E+01                                  ! [atm] type: M, ref: 853
Hvpx___13029_08_8 =  1.2E+01                                  ! [atm] type: M, ref: 3797
Hvpx___13029_08_8 =  7.6E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___13029_08_8 =  3.2E+01                                  ! [atm] type: V, ref: 2612
Hvpx___13029_08_8 =  3.2E+01                                  ! [atm] type: V, ref: 633
Hvpx___13029_08_8 =  3.2E+01                                  ! [atm] type: V, ref: 2302
Hvpx___13029_08_8 =  3.0E+01                                  ! [atm] type: V, ref: 850
Hvpx___13029_08_8 =  2.1E+01                                  ! [atm] type: V, ref: 2979
Hvpx___13029_08_8 =  1.2E+01                                  ! [atm] type: X, ref: murphy83
Hvpx___13029_08_8 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___13029_08_8 =  9.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___13029_08_8 =  2.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___13029_08_8 =  7.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___13029_08_8 =  2.0E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___13029_08_8 =  2.6E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___13029_08_8 =  1.1E+01                                  ! [atm] type: Q, ref: 2543
Hvpx___13029_08_8 =  1.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___13029_08_8 =  1.3E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,3-dichlorobiphenyl
! formula:  C_{12}H_8Cl_2
! trivial:  PCB-5
! casrn:    16605-91-7
! inchikey: XOMKZKJEJBZBJJ-UHFFFAOYSA-N
Hvpx___16605_91_7 =  1.3E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___16605_91_7 =  2.7E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___16605_91_7 =  1.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___16605_91_7 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___16605_91_7 =  7.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___16605_91_7 =  1.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___16605_91_7 =  6.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___16605_91_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___16605_91_7 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___16605_91_7 =  1.3E+01                                  ! [atm] type: Q, ref: 2535
Hvpx___16605_91_7 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___16605_91_7 =  1.6E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___16605_91_7 =  1.3E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,3'-dichlorobiphenyl
! formula:  C_{12}H_8Cl_2
! trivial:  PCB-6
! casrn:    25569-80-6
! inchikey: ZHBBDTRJIVXKEX-UHFFFAOYSA-N
Hvpx___25569_80_6 =  1.3E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___25569_80_6 =  1.4E+01                                  ! [atm] type: M, ref: 1194
Hvpx___25569_80_6 =  1.7E+01                                  ! [atm] type: M, ref: 853
Hvpx___25569_80_6 =  1.2E+01                                  ! [atm] type: M, ref: 3797
Hvpx___25569_80_6 =  1.4E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___25569_80_6 =  2.2E+01                                  ! [atm] type: V, ref: 2302
Hvpx___25569_80_6 =  1.5E+01                                  ! [atm] type: V, ref: 850
Hvpx___25569_80_6 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___25569_80_6 =  9.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___25569_80_6 =  9.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___25569_80_6 =  7.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___25569_80_6 =  1.6E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___25569_80_6 =  1.7E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___25569_80_6 =  1.3E+01                                  ! [atm] type: Q, ref: 2535
Hvpx___25569_80_6 =  1.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___25569_80_6 =  2.2E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___25569_80_6 =  1.4E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,4-dichlorobiphenyl
! formula:  C_{12}H_8Cl_2
! trivial:  PCB-7
! casrn:    33284-50-3
! inchikey: WEJZHZJJXPXXMU-UHFFFAOYSA-N
Hvpx___33284_50_3 =  1.5E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___33284_50_3 =  1.9E+01                                  ! [atm] type: M, ref: 1140
Hvpx___33284_50_3 =  2.0E+01                                  ! [atm] type: M, ref: 853
Hvpx___33284_50_3 =  1.8E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___33284_50_3 =  2.5E+01                                  ! [atm] type: V, ref: 2612
Hvpx___33284_50_3 =  2.5E+01                                  ! [atm] type: V, ref: 633
Hvpx___33284_50_3 =  2.5E+01                                  ! [atm] type: V, ref: 2302
Hvpx___33284_50_3 =  1.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___33284_50_3 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___33284_50_3 =  1.3E+01                                  ! [atm] type: Q, ref: 3586
Hvpx___33284_50_3 =  1.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___33284_50_3 =  6.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___33284_50_3 =  2.5E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___33284_50_3 =  1.8E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___33284_50_3 =  1.6E+01                                  ! [atm] type: Q, ref: 2535
Hvpx___33284_50_3 =  2.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___33284_50_3 =  1.5E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,4'-dichlorobiphenyl
! formula:  C_{12}H_8Cl_2
! trivial:  PCB-8
! casrn:    34883-43-7
! inchikey: UFNIBRDIUNVOMX-UHFFFAOYSA-N
Hvpx___34883_43_7 =  1.4E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___34883_43_7 =  1.2E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___34883_43_7 =  2.1E+01                                  ! [atm] type: M, ref: 2564
Hvpx___34883_43_7 =  2.8E+01                                  ! [atm] type: M, ref: 2564
Hvpx___34883_43_7 =  2.4E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx___34883_43_7 =  1.4E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___34883_43_7 =  1.5E+01                                  ! [atm] type: M, ref: 853
Hvpx___34883_43_7 =  9.5E+00                                  ! [atm] type: M, ref: 3793
Hvpx___34883_43_7 =  1.2E+01                                  ! [atm] type: M, ref: 3797
Hvpx___34883_43_7 =  5.2E+01                                  ! [atm] type: M, ref: 1926
Hvpx___34883_43_7 =  2.5E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___34883_43_7 =  4.9E+01                                  ! [atm] type: V, ref: 2302
Hvpx___34883_43_7 =  1.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___34883_43_7 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___34883_43_7 =  9.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___34883_43_7 =  9.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___34883_43_7 =  6.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___34883_43_7 =  3.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___34883_43_7 =  1.6E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___34883_43_7 =  1.3E+01                                  ! [atm] type: Q, ref: 2535
Hvpx___34883_43_7 =  1.7E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___34883_43_7 =  1.7E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___34883_43_7 =  1.3E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,5-dichlorobiphenyl
! formula:  C_{12}H_8Cl_2
! trivial:  PCB-9
! casrn:    34883-39-1
! inchikey: KKQWHYGECTYFIA-UHFFFAOYSA-N
Hvpx___34883_39_1 =  2.3E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1146
Hvpx___34883_39_1 =  2.1E+01                                  ! [atm] type: M, ref: 643
Hvpx___34883_39_1 =  2.1E+01                                  ! [atm] type: M, ref: 1140
Hvpx___34883_39_1 =  2.7E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___34883_39_1 =  1.1E+01                                  ! [atm] type: V, ref: 2612
Hvpx___34883_39_1 =  1.1E+01                                  ! [atm] type: V, ref: 633
Hvpx___34883_39_1 =  1.1E+01                                  ! [atm] type: V, ref: 2302
Hvpx___34883_39_1 =  1.8E+01                                  ! [atm] type: V, ref: 850
Hvpx___34883_39_1 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___34883_39_1 =  1.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx___34883_39_1 =  1.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___34883_39_1 =  7.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___34883_39_1 =  1.8E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___34883_39_1 =  2.1E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___34883_39_1 =  1.6E+01                                  ! [atm] type: Q, ref: 2535
Hvpx___34883_39_1 =  1.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___34883_39_1 =  1.5E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,6-dichlorobiphenyl
! formula:  C_{12}H_8Cl_2
! trivial:  PCB-10
! casrn:    33146-45-1
! inchikey: IYZWUWBAFUBNCH-UHFFFAOYSA-N
Hvpx___33146_45_1 =  4.5E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___33146_45_1 =  2.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___33146_45_1 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___33146_45_1 =  1.3E+01                                  ! [atm] type: Q, ref: 3586
Hvpx___33146_45_1 =  1.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___33146_45_1 =  9.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___33146_45_1 =  2.9E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___33146_45_1 =  2.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___33146_45_1 =  1.3E+01                                  ! [atm] type: Q, ref: 2535
Hvpx___33146_45_1 =  2.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___33146_45_1 =  2.6E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___33146_45_1 =  1.3E+01                                  ! [atm] type: ?, ref: 3586

! species:  3,3'-dichlorobiphenyl
! formula:  C_{12}H_8Cl_2
! trivial:  PCB-11
! casrn:    2050-67-1
! inchikey: KTXUOWUHFLBZPW-UHFFFAOYSA-N
Hvpx____2050_67_1 =  1.3E+01                                  ! [atm] type: M, ref: 643
Hvpx____2050_67_1 =  1.3E+01                                  ! [atm] type: M, ref: 1140
Hvpx____2050_67_1 =  1.6E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx____2050_67_1 =  9.3E+00                                  ! [atm] type: V, ref: 2612
Hvpx____2050_67_1 =  9.4E+00                                  ! [atm] type: V, ref: 633
Hvpx____2050_67_1 =  7.4E+00                                  ! [atm] type: V, ref: 850
Hvpx____2050_67_1 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx____2050_67_1 =  9.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____2050_67_1 =  6.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx____2050_67_1 =  2.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx____2050_67_1 =  7.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx____2050_67_1 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2050_67_1 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx____2050_67_1 =  1.3E+01                                  ! [atm] type: Q, ref: 1145
Hvpx____2050_67_1 =  1.3E+01                                  ! [atm] type: ?, ref: 3586

! species:  3,4-dichlorobiphenyl
! formula:  C_{12}H_8Cl_2
! trivial:  PCB-12
! casrn:    2974-92-7
! inchikey: ZGHQUYZPMWMLBM-UHFFFAOYSA-N
Hvpx____2974_92_7 =  7.7E+00                                  ! [atm] type: M, ref: 1194
Hvpx____2974_92_7 =  1.1E+01                                  ! [atm] type: M, ref: 643
Hvpx____2974_92_7 =  1.1E+01                                  ! [atm] type: M, ref: 1140
Hvpx____2974_92_7 =  2.7E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx____2974_92_7 =  5.2E+00                                  ! [atm] type: V, ref: 850
Hvpx____2974_92_7 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx____2974_92_7 =  7.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____2974_92_7 =  7.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx____2974_92_7 =  5.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx____2974_92_7 =  1.1E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2974_92_7 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2974_92_7 =  7.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx____2974_92_7 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx____2974_92_7 =  7.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  3,4'-dichlorobiphenyl
! formula:  C_{12}H_8Cl_2
! trivial:  PCB-13
! casrn:    2974-90-5
! inchikey: CJDNEKOMKXLSBN-UHFFFAOYSA-N
Hvpx____2974_90_5 =  1.1E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx____2974_90_5 =  6.4E+00 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx____2974_90_5 =  6.8E+00                                  ! [atm] type: V, ref: 850
Hvpx____2974_90_5 =  5.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx____2974_90_5 =  1.5E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2974_90_5 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2974_90_5 =  1.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx____2974_90_5 =  1.7E+01                                  ! [atm] type: Q, ref: 1141

! species:  3,5-dichlorobiphenyl
! formula:  C_{12}H_8Cl_2
! trivial:  PCB-14
! casrn:    34883-41-5
! inchikey: QHZSDTDMQZPUKC-UHFFFAOYSA-N
Hvpx___34883_41_5 =  2.0E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___34883_41_5 =  9.1E+00                                  ! [atm] type: V, ref: 850
Hvpx___34883_41_5 =  1.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___34883_41_5 =  5.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___34883_41_5 =  8.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___34883_41_5 =  1.7E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___34883_41_5 =  2.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___34883_41_5 =  2.7E+01                                  ! [atm] type: Q, ref: 1141

! species:  4,4'-dichlorobiphenyl
! formula:  C_{12}H_8Cl_2
! trivial:  PCB-15
! casrn:    2050-68-2
! inchikey: YTBRNEUEFCNVHC-UHFFFAOYSA-N
Hvpx____2050_68_2 =  7.8E+00 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx____2050_68_2 =  7.3E+00 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx____2050_68_2 =  1.1E+01                                  ! [atm] type: M, ref: 2564
Hvpx____2050_68_2 =  1.6E+01                                  ! [atm] type: M, ref: 2564
Hvpx____2050_68_2 =  1.6E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx____2050_68_2 =  5.3E+00                                  ! [atm] type: M, ref: 1144
Hvpx____2050_68_2 =  1.1E+01                                  ! [atm] type: M, ref: 643
Hvpx____2050_68_2 =  1.1E+01                                  ! [atm] type: M, ref: 1140
Hvpx____2050_68_2 =  1.7E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx____2050_68_2 =  9.7E+00                                  ! [atm] type: V, ref: 2612
Hvpx____2050_68_2 =  9.3E+00                                  ! [atm] type: V, ref: 633
Hvpx____2050_68_2 =  9.3E+00                                  ! [atm] type: V, ref: 2302
Hvpx____2050_68_2 =  6.0E+00                                  ! [atm] type: V, ref: 850
Hvpx____2050_68_2 =  5.5E+00                                  ! [atm] type: V, ref: 2979
Hvpx____2050_68_2 =  1.7E+01                                  ! [atm] type: X, ref: murphy83
Hvpx____2050_68_2 =  8.0E+00                                  ! [atm] type: C, ref: 643
Hvpx____2050_68_2 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx____2050_68_2 =  9.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____2050_68_2 =  5.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx____2050_68_2 =  3.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx____2050_68_2 =  2.6E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2050_68_2 =  1.1E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2050_68_2 =  1.2E+01                                  ! [atm] type: Q, ref: 2475
Hvpx____2050_68_2 =  1.3E+01                                  ! [atm] type: Q, ref: 1145
Hvpx____2050_68_2 =  1.1E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-16
! casrn:    38444-78-9
! inchikey: XVIZMMSINIOIQP-UHFFFAOYSA-N
Hvpx___38444_78_9 =  1.3E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38444_78_9 =  1.3E+01                                  ! [atm] type: M, ref: 853
Hvpx___38444_78_9 =  4.4E+01                                  ! [atm] type: M, ref: 1926
Hvpx___38444_78_9 =  3.6E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38444_78_9 =  4.4E+01                                  ! [atm] type: V, ref: 2302
Hvpx___38444_78_9 =  1.9E+01                                  ! [atm] type: V, ref: 850
Hvpx___38444_78_9 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___38444_78_9 =  5.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38444_78_9 =  9.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38444_78_9 =  7.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38444_78_9 =  9.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_78_9 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_78_9 =  1.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38444_78_9 =  1.5E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___38444_78_9 =  1.1E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',4-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-17
! casrn:    37680-66-3
! inchikey: YKKYCYQDUUXNLN-UHFFFAOYSA-N
Hvpx___37680_66_3 =  1.6E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___37680_66_3 =  1.8E+01                                  ! [atm] type: M, ref: 853
Hvpx___37680_66_3 =  1.4E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___37680_66_3 =  2.9E+01                                  ! [atm] type: V, ref: 850
Hvpx___37680_66_3 =  1.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___37680_66_3 =  1.6E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___37680_66_3 =  1.7E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___37680_66_3 =  2.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___37680_66_3 =  2.2E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',5-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-18
! casrn:    37680-65-2
! inchikey: DCMURXAZTZQAFB-UHFFFAOYSA-N
Hvpx___37680_65_2 =  1.9E+00                                  ! [atm] type: M, ref: 3424
Hvpx___37680_65_2 =  6.1E+00                                  ! [atm] type: M, ref: 3424
Hvpx___37680_65_2 =  1.4E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___37680_65_2 =  1.4E+01                                  ! [atm] type: M, ref: 1194
Hvpx___37680_65_2 =  2.1E+01                                  ! [atm] type: M, ref: 1140
Hvpx___37680_65_2 =  1.7E+01                                  ! [atm] type: M, ref: 853
Hvpx___37680_65_2 =  1.1E+01                                  ! [atm] type: M, ref: 1139
Hvpx___37680_65_2 =  1.1E+01                                  ! [atm] type: M, ref: 3797
Hvpx___37680_65_2 =  5.5E+01                                  ! [atm] type: M, ref: 1926
Hvpx___37680_65_2 =  5.6E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___37680_65_2 =  5.0E+01                                  ! [atm] type: V, ref: 2612
Hvpx___37680_65_2 =  5.0E+01                                  ! [atm] type: V, ref: 633
Hvpx___37680_65_2 =  5.0E+01                                  ! [atm] type: V, ref: 2302
Hvpx___37680_65_2 =  3.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___37680_65_2 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___37680_65_2 =  9.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___37680_65_2 =  1.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___37680_65_2 =  8.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___37680_65_2 =  1.1E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___37680_65_2 =  1.8E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___37680_65_2 =  9.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx___37680_65_2 =  9.2E+00                                  ! [atm] type: Q, ref: 2543
Hvpx___37680_65_2 =  1.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___37680_65_2 =  1.4E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',6-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-19
! casrn:    38444-73-4
! inchikey: MVXIJRBBCDLNLX-UHFFFAOYSA-N
Hvpx___38444_73_4 =  1.6E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38444_73_4 =  1.3E+01                                  ! [atm] type: M, ref: 1194
Hvpx___38444_73_4 =  1.7E+01                                  ! [atm] type: M, ref: 853
Hvpx___38444_73_4 =  1.2E+01                                  ! [atm] type: M, ref: 3797
Hvpx___38444_73_4 =  2.2E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38444_73_4 =  6.8E+01                                  ! [atm] type: V, ref: 850
Hvpx___38444_73_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___38444_73_4 =  9.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38444_73_4 =  1.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___38444_73_4 =  9.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38444_73_4 =  1.8E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_73_4 =  2.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_73_4 =  2.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38444_73_4 =  2.5E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___38444_73_4 =  1.3E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,3,3'-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-20
! casrn:    38444-84-7
! inchikey: SXHLTVKPNQVZGL-UHFFFAOYSA-N
Hvpx___38444_84_7 =  4.4E+01                                  ! [atm] type: M, ref: 1926
Hvpx___38444_84_7 =  2.7E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38444_84_7 =  4.5E+01                                  ! [atm] type: V, ref: 2302
Hvpx___38444_84_7 =  9.4E+00                                  ! [atm] type: V, ref: 850
Hvpx___38444_84_7 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___38444_84_7 =  5.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38444_84_7 =  4.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38444_84_7 =  6.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38444_84_7 =  7.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_84_7 =  8.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_84_7 =  1.2E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38444_84_7 =  1.7E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___38444_84_7 =  8.9E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,3,4-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-21
! casrn:    55702-46-0
! inchikey: IUYHQGMDSZOPDZ-UHFFFAOYSA-N
Hvpx___55702_46_0 =  1.3E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___55702_46_0 =  8.1E+00                                  ! [atm] type: V, ref: 850
Hvpx___55702_46_0 =  6.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___55702_46_0 =  1.1E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___55702_46_0 =  9.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___55702_46_0 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___55702_46_0 =  1.2E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,4'-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-22
! casrn:    38444-85-8
! inchikey: ZMHWQAHZKUPENF-UHFFFAOYSA-N
Hvpx___38444_85_8 =  1.6E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38444_85_8 =  1.1E+01                                  ! [atm] type: M, ref: 853
Hvpx___38444_85_8 =  1.0E+01                                  ! [atm] type: M, ref: 3797
Hvpx___38444_85_8 =  4.4E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38444_85_8 =  8.4E+00                                  ! [atm] type: V, ref: 850
Hvpx___38444_85_8 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___38444_85_8 =  5.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38444_85_8 =  4.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38444_85_8 =  5.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38444_85_8 =  1.4E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_85_8 =  8.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_85_8 =  1.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38444_85_8 =  1.2E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___38444_85_8 =  7.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,3,5-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-23
! casrn:    55720-44-0
! inchikey: GBUCDGDROYMOAN-UHFFFAOYSA-N
Hvpx___55720_44_0 =  3.5E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___55720_44_0 =  1.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___55720_44_0 =  7.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___55720_44_0 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___55720_44_0 =  1.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___55720_44_0 =  1.9E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,6-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-24
! casrn:    55702-45-9
! inchikey: LVROLHVSYNLFBE-UHFFFAOYSA-N
Hvpx___55702_45_9 =  1.7E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___55702_45_9 =  1.2E+01                                  ! [atm] type: M, ref: 1194
Hvpx___55702_45_9 =  1.8E+01                                  ! [atm] type: M, ref: 853
Hvpx___55702_45_9 =  7.1E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___55702_45_9 =  2.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___55702_45_9 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___55702_45_9 =  1.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx___55702_45_9 =  1.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___55702_45_9 =  6.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___55702_45_9 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___55702_45_9 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___55702_45_9 =  1.7E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___55702_45_9 =  1.9E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___55702_45_9 =  1.2E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,3',4-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-25
! casrn:    55712-37-3
! inchikey: XBBZAULFUPBZSP-UHFFFAOYSA-N
Hvpx___55712_37_3 =  1.7E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___55712_37_3 =  2.2E+01                                  ! [atm] type: M, ref: 853
Hvpx___55712_37_3 =  8.9E+00                                  ! [atm] type: M, ref: 3797
Hvpx___55712_37_3 =  1.9E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___55712_37_3 =  1.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___55712_37_3 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___55712_37_3 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___55712_37_3 =  1.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___55712_37_3 =  2.4E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3',5-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-26
! casrn:    38444-81-4
! inchikey: ONNCPBRWFSKDMQ-UHFFFAOYSA-N
Hvpx___38444_81_4 =  1.6E+01 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38444_81_4 =  1.8E+01                                  ! [atm] type: M, ref: 643
Hvpx___38444_81_4 =  1.8E+01                                  ! [atm] type: M, ref: 1140
Hvpx___38444_81_4 =  1.9E+01                                  ! [atm] type: M, ref: 853
Hvpx___38444_81_4 =  2.5E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38444_81_4 =  1.5E+01                                  ! [atm] type: V, ref: 850
Hvpx___38444_81_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___38444_81_4 =  9.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38444_81_4 =  5.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38444_81_4 =  7.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38444_81_4 =  9.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_81_4 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_81_4 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38444_81_4 =  9.3E+00                                  ! [atm] type: Q, ref: 1145
Hvpx___38444_81_4 =  1.1E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,3',6-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-27
! casrn:    38444-76-7
! inchikey: VQOFJPFYTCHPTR-UHFFFAOYSA-N
Hvpx___38444_76_7 =  1.6E+01                                  ! [atm] type: M, ref: 853
Hvpx___38444_76_7 =  1.8E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38444_76_7 =  2.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___38444_76_7 =  1.5E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_76_7 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_76_7 =  2.2E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38444_76_7 =  2.7E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,4,4'-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-28
! casrn:    7012-37-5
! inchikey: BZTYNSQSZHARAZ-UHFFFAOYSA-N
Hvpx____7012_37_5 =  1.8E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx____7012_37_5 =  1.7E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx____7012_37_5 =  9.3E+01                                  ! [atm] type: M, ref: 3424
Hvpx____7012_37_5 =  1.1E+01                                  ! [atm] type: M, ref: 3424
Hvpx____7012_37_5 =  2.4E+01                                  ! [atm] type: M, ref: 2564
Hvpx____7012_37_5 =  3.8E+01                                  ! [atm] type: M, ref: 2564
Hvpx____7012_37_5 =  3.0E+01 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx____7012_37_5 =  2.1E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx____7012_37_5 =  1.5E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1146
Hvpx____7012_37_5 =  1.1E+01                                  ! [atm] type: M, ref: 1194
Hvpx____7012_37_5 =  1.7E+01                                  ! [atm] type: M, ref: 1140
Hvpx____7012_37_5 =  1.5E+01                                  ! [atm] type: M, ref: 853
Hvpx____7012_37_5 =  7.9E+00                                  ! [atm] type: M, ref: 3793
Hvpx____7012_37_5 =  2.0E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx____7012_37_5 =  1.2E+01                                  ! [atm] type: V, ref: 850
Hvpx____7012_37_5 =  2.0E+01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx____7012_37_5 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx____7012_37_5 =  9.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____7012_37_5 =  5.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx____7012_37_5 =  5.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx____7012_37_5 =  2.5E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____7012_37_5 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____7012_37_5 =  1.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx____7012_37_5 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx____7012_37_5 =  1.1E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,4,5-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-29
! casrn:    15862-07-4
! inchikey: VGVIKVCCUATMNG-UHFFFAOYSA-N
Hvpx___15862_07_4 =  1.8E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3681
Hvpx___15862_07_4 =  1.8E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___15862_07_4 =  1.6E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___15862_07_4 =  2.1E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___15862_07_4 =  1.1E+01                                  ! [atm] type: M, ref: 1194
Hvpx___15862_07_4 =  7.1E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___15862_07_4 =  1.3E+02                                  ! [atm] type: V, ref: 2612
Hvpx___15862_07_4 =  1.3E+01                                  ! [atm] type: V, ref: 633
Hvpx___15862_07_4 =  1.3E+01                                  ! [atm] type: V, ref: 2302
Hvpx___15862_07_4 =  1.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___15862_07_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___15862_07_4 =  1.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx___15862_07_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___15862_07_4 =  6.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___15862_07_4 =  4.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___15862_07_4 =  1.4E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___15862_07_4 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___15862_07_4 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___15862_07_4 =  1.5E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___15862_07_4 =  1.1E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,4,6-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-30
! casrn:    35693-92-6
! inchikey: MTLMVEWEYZFYTH-UHFFFAOYSA-N
Hvpx___35693_92_6 =  3.6E+01                                  ! [atm] type: M, ref: 643
Hvpx___35693_92_6 =  3.6E+01                                  ! [atm] type: M, ref: 1140
Hvpx___35693_92_6 =  5.3E+01                                  ! [atm] type: V, ref: 3586
Hvpx___35693_92_6 =  6.4E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___35693_92_6 =  2.7E+01                                  ! [atm] type: V, ref: 2612
Hvpx___35693_92_6 =  2.7E+01                                  ! [atm] type: V, ref: 633
Hvpx___35693_92_6 =  2.7E+01                                  ! [atm] type: V, ref: 2302
Hvpx___35693_92_6 =  3.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___35693_92_6 =  1.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx___35693_92_6 =  1.9E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___35693_92_6 =  2.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___35693_92_6 =  2.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___35693_92_6 =  3.2E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,4',5-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-31
! casrn:    16606-02-3
! inchikey: VAHKBZSAUKPEOV-UHFFFAOYSA-N
Hvpx___16606_02_3 =  2.0E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___16606_02_3 =  1.9E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___16606_02_3 =  1.6E+01 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___16606_02_3 =  1.1E+01                                  ! [atm] type: M, ref: 1194
Hvpx___16606_02_3 =  1.5E+01                                  ! [atm] type: M, ref: 853
Hvpx___16606_02_3 =  1.1E+01                                  ! [atm] type: M, ref: 3797
Hvpx___16606_02_3 =  5.1E+01                                  ! [atm] type: M, ref: 1926
Hvpx___16606_02_3 =  4.2E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___16606_02_3 =  3.0E+01                                  ! [atm] type: V, ref: 2302
Hvpx___16606_02_3 =  1.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___16606_02_3 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___16606_02_3 =  9.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___16606_02_3 =  5.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___16606_02_3 =  6.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___16606_02_3 =  1.8E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___16606_02_3 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___16606_02_3 =  1.5E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___16606_02_3 =  1.6E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___16606_02_3 =  1.1E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,4',6-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-32
! casrn:    38444-77-8
! inchikey: IHIDFKLAWYPTKB-UHFFFAOYSA-N
Hvpx___38444_77_8 =  4.6E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38444_77_8 =  2.0E+01                                  ! [atm] type: V, ref: 850
Hvpx___38444_77_8 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___38444_77_8 =  9.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38444_77_8 =  7.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38444_77_8 =  7.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38444_77_8 =  3.0E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_77_8 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_77_8 =  2.2E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38444_77_8 =  2.3E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___38444_77_8 =  1.1E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,3',4'-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-33
! casrn:    38444-86-9
! inchikey: RIMXLXBUOQMDHV-UHFFFAOYSA-N
Hvpx___38444_86_9 =  1.5E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38444_86_9 =  1.2E+01                                  ! [atm] type: M, ref: 853
Hvpx___38444_86_9 =  8.3E+00                                  ! [atm] type: M, ref: 3797
Hvpx___38444_86_9 =  2.2E+01                                  ! [atm] type: M, ref: 849
Hvpx___38444_86_9 =  4.3E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38444_86_9 =  2.4E+01                                  ! [atm] type: V, ref: 633
Hvpx___38444_86_9 =  2.4E+01                                  ! [atm] type: V, ref: 2302
Hvpx___38444_86_9 =  9.2E+00                                  ! [atm] type: V, ref: 850
Hvpx___38444_86_9 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___38444_86_9 =  5.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38444_86_9 =  5.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38444_86_9 =  7.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38444_86_9 =  7.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_86_9 =  1.1E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_86_9 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38444_86_9 =  1.2E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___38444_86_9 =  8.9E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,3',5'-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-34
! casrn:    37680-68-5
! inchikey: GXVMAQACUOSFJF-UHFFFAOYSA-N
Hvpx___37680_68_5 =  4.1E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___37680_68_5 =  1.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___37680_68_5 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___37680_68_5 =  9.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___37680_68_5 =  7.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___37680_68_5 =  7.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___37680_68_5 =  5.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___37680_68_5 =  1.4E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___37680_68_5 =  2.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___37680_68_5 =  2.8E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___37680_68_5 =  1.1E+01                                  ! [atm] type: ?, ref: 3586

! species:  3,3',4-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-35
! casrn:    37680-69-6
! inchikey: JHBVPKZLIBDTJR-UHFFFAOYSA-N
Hvpx___37680_69_6 =  3.0E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___37680_69_6 =  4.4E+00                                  ! [atm] type: V, ref: 850
Hvpx___37680_69_6 =  5.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___37680_69_6 =  9.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___37680_69_6 =  1.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___37680_69_6 =  1.2E+01                                  ! [atm] type: Q, ref: 1141

! species:  3,3',5-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-36
! casrn:    38444-87-0
! inchikey: RIBGNAJQTOXRDK-UHFFFAOYSA-N
Hvpx___38444_87_0 =  9.4E+00                                  ! [atm] type: M, ref: 1194
Hvpx___38444_87_0 =  4.3E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38444_87_0 =  7.6E+00                                  ! [atm] type: V, ref: 850
Hvpx___38444_87_0 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___38444_87_0 =  9.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38444_87_0 =  4.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38444_87_0 =  6.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38444_87_0 =  4.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_87_0 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_87_0 =  9.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx___38444_87_0 =  1.9E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38444_87_0 =  2.8E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___38444_87_0 =  9.4E+00                                  ! [atm] type: ?, ref: 3586

! species:  3,4,4'-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-37
! casrn:    38444-90-5
! inchikey: YZANRISAORXTHU-UHFFFAOYSA-N
Hvpx___38444_90_5 =  5.5E+00                                  ! [atm] type: M, ref: 1194
Hvpx___38444_90_5 =  8.4E+00                                  ! [atm] type: M, ref: 853
Hvpx___38444_90_5 =  4.6E+01                                  ! [atm] type: M, ref: 1926
Hvpx___38444_90_5 =  4.1E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38444_90_5 =  4.6E+01                                  ! [atm] type: V, ref: 2302
Hvpx___38444_90_5 =  4.0E+00                                  ! [atm] type: V, ref: 850
Hvpx___38444_90_5 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___38444_90_5 =  5.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38444_90_5 =  3.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38444_90_5 =  4.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38444_90_5 =  1.1E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_90_5 =  9.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_90_5 =  8.4E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___38444_90_5 =  8.0E+00                                  ! [atm] type: Q, ref: 1141
Hvpx___38444_90_5 =  5.5E+00                                  ! [atm] type: ?, ref: 3586

! species:  3,4,5-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-38
! casrn:    53555-66-1
! inchikey: BSFZSQRJGZHMMV-UHFFFAOYSA-N
Hvpx___53555_66_1 =  4.5E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___53555_66_1 =  4.2E+00                                  ! [atm] type: V, ref: 850
Hvpx___53555_66_1 =  6.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___53555_66_1 =  1.0E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___53555_66_1 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___53555_66_1 =  1.1E+01                                  ! [atm] type: Q, ref: 1141

! species:  3,4',5-trichlorobiphenyl
! formula:  C_{12}H_7Cl_3
! trivial:  PCB-39
! casrn:    38444-88-1
! inchikey: SYSBNFJJSJLZMM-UHFFFAOYSA-N
Hvpx___38444_88_1 =  4.7E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38444_88_1 =  6.9E+00                                  ! [atm] type: V, ref: 850
Hvpx___38444_88_1 =  8.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_88_1 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_88_1 =  1.7E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38444_88_1 =  2.4E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,3'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-40
! casrn:    38444-93-8
! inchikey: VTLYHLREPCPDKX-UHFFFAOYSA-N
Hvpx___38444_93_8 =  1.5E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38444_93_8 =  5.5E+00                                  ! [atm] type: M, ref: 1194
Hvpx___38444_93_8 =  1.1E+01                                  ! [atm] type: M, ref: 643
Hvpx___38444_93_8 =  1.1E+01                                  ! [atm] type: M, ref: 1140
Hvpx___38444_93_8 =  8.9E+00                                  ! [atm] type: M, ref: 853
Hvpx___38444_93_8 =  6.6E+00                                  ! [atm] type: M, ref: 1139
Hvpx___38444_93_8 =  3.0E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38444_93_8 =  1.2E+01                                  ! [atm] type: V, ref: 2612
Hvpx___38444_93_8 =  1.2E+01                                  ! [atm] type: V, ref: 633
Hvpx___38444_93_8 =  1.2E+01                                  ! [atm] type: V, ref: 2302
Hvpx___38444_93_8 =  1.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___38444_93_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___38444_93_8 =  2.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38444_93_8 =  4.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38444_93_8 =  8.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38444_93_8 =  4.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_93_8 =  5.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38444_93_8 =  2.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx___38444_93_8 =  8.3E+00                                  ! [atm] type: Q, ref: 2543
Hvpx___38444_93_8 =  1.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38444_93_8 =  5.5E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-41
! casrn:    52663-59-9
! inchikey: SEWHDNLIHDBVDZ-UHFFFAOYSA-N
Hvpx___52663_59_9 =  1.1E+01                                  ! [atm] type: M, ref: 853
Hvpx___52663_59_9 =  3.3E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_59_9 =  1.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_59_9 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___52663_59_9 =  3.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52663_59_9 =  8.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___52663_59_9 =  6.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52663_59_9 =  6.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_59_9 =  7.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_59_9 =  1.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___52663_59_9 =  1.1E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___52663_59_9 =  7.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-42
! casrn:    36559-22-5
! inchikey: ALFHIHDQSYXSGP-UHFFFAOYSA-N
Hvpx___36559_22_5 =  2.0E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___36559_22_5 =  1.1E+01                                  ! [atm] type: M, ref: 853
Hvpx___36559_22_5 =  6.3E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___36559_22_5 =  1.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___36559_22_5 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___36559_22_5 =  4.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___36559_22_5 =  7.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___36559_22_5 =  6.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___36559_22_5 =  9.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___36559_22_5 =  8.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___36559_22_5 =  1.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___36559_22_5 =  1.7E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___36559_22_5 =  7.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,5-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-43
! casrn:    70362-46-8
! inchikey: NRBNBYFPJCCKTO-UHFFFAOYSA-N
Hvpx___70362_46_8 =  4.2E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___70362_46_8 =  2.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___70362_46_8 =  5.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_46_8 =  9.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_46_8 =  1.9E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___70362_46_8 =  1.9E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,5'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-44
! casrn:    41464-39-5
! inchikey: ALDJIKXAHSDLLB-UHFFFAOYSA-N
Hvpx___41464_39_5 =  1.0E+02                                  ! [atm] type: M, ref: 3424
Hvpx___41464_39_5 =  1.6E+01                                  ! [atm] type: M, ref: 3424
Hvpx___41464_39_5 =  1.5E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___41464_39_5 =  1.0E+01                                  ! [atm] type: M, ref: 853
Hvpx___41464_39_5 =  1.3E+01                                  ! [atm] type: M, ref: 3797
Hvpx___41464_39_5 =  4.3E+01                                  ! [atm] type: M, ref: 1926
Hvpx___41464_39_5 =  4.8E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41464_39_5 =  2.7E+01                                  ! [atm] type: V, ref: 2302
Hvpx___41464_39_5 =  1.8E+01                                  ! [atm] type: V, ref: 850
Hvpx___41464_39_5 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___41464_39_5 =  5.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___41464_39_5 =  5.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___41464_39_5 =  7.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___41464_39_5 =  4.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_39_5 =  8.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_39_5 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___41464_39_5 =  1.4E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___41464_39_5 =  7.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,6-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-45
! casrn:    70362-45-7
! inchikey: VHGHHZZTMJLTJX-UHFFFAOYSA-N
Hvpx___70362_45_7 =  2.2E+01 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___70362_45_7 =  1.4E+02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___70362_45_7 =  5.5E+01                                  ! [atm] type: V, ref: 850
Hvpx___70362_45_7 =  8.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_45_7 =  1.1E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_45_7 =  2.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___70362_45_7 =  1.7E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,6'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-46
! casrn:    41464-47-5
! inchikey: CUGLICQCTXWQNF-UHFFFAOYSA-N
Hvpx___41464_47_5 =  1.8E+01 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___41464_47_5 =  1.4E+01                                  ! [atm] type: M, ref: 853
Hvpx___41464_47_5 =  6.0E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41464_47_5 =  3.8E+01                                  ! [atm] type: V, ref: 850
Hvpx___41464_47_5 =  8.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_47_5 =  9.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_47_5 =  1.9E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___41464_47_5 =  2.0E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',4,4'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-47
! casrn:    2437-79-8
! inchikey: QORAVNMWUNPXAO-UHFFFAOYSA-N
Hvpx____2437_79_8 =  2.6E+00                                  ! [atm] type: M, ref: 2564
Hvpx____2437_79_8 =  6.0E+01                                  ! [atm] type: M, ref: 2564
Hvpx____2437_79_8 =  3.0E+00 * EXP(   6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx____2437_79_8 =  1.1E+01                                  ! [atm] type: M, ref: 1194
Hvpx____2437_79_8 =  2.8E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx____2437_79_8 =  9.6E+00                                  ! [atm] type: V, ref: 2612
Hvpx____2437_79_8 =  9.5E+00                                  ! [atm] type: V, ref: 633
Hvpx____2437_79_8 =  2.7E+02                                  ! [atm] type: V, ref: 2439
Hvpx____2437_79_8 =  9.3E+00                                  ! [atm] type: V, ref: 2302
Hvpx____2437_79_8 =  2.3E+01                                  ! [atm] type: V, ref: 850
Hvpx____2437_79_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx____2437_79_8 =  8.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____2437_79_8 =  1.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx____2437_79_8 =  6.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx____2437_79_8 =  1.6E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2437_79_8 =  1.1E+01                                  ! [atm] type: Q, ref: 2932
Hvpx____2437_79_8 =  2.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx____2437_79_8 =  2.4E+01                                  ! [atm] type: Q, ref: 1141
Hvpx____2437_79_8 =  1.1E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',4,5-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-48
! casrn:    70362-47-9
! inchikey: XBTHILIDLBPRPM-UHFFFAOYSA-N
Hvpx___70362_47_9 =  2.0E+01 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___70362_47_9 =  1.4E+01                                  ! [atm] type: M, ref: 853
Hvpx___70362_47_9 =  8.9E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___70362_47_9 =  2.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___70362_47_9 =  8.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_47_9 =  1.0E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_47_9 =  1.7E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___70362_47_9 =  1.5E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',4,5'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-49
! casrn:    41464-40-8
! inchikey: ZWPVHELAQPIZHO-UHFFFAOYSA-N
Hvpx___41464_40_8 =  2.0E+01 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___41464_40_8 =  1.5E+01                                  ! [atm] type: M, ref: 853
Hvpx___41464_40_8 =  1.1E+01                                  ! [atm] type: M, ref: 3797
Hvpx___41464_40_8 =  6.6E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41464_40_8 =  1.1E+01                                  ! [atm] type: V, ref: 2302
Hvpx___41464_40_8 =  2.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___41464_40_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___41464_40_8 =  9.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___41464_40_8 =  8.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___41464_40_8 =  7.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___41464_40_8 =  7.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_40_8 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_40_8 =  2.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___41464_40_8 =  2.1E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___41464_40_8 =  1.2E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',4,6-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-50
! casrn:    62796-65-0
! inchikey: VLLVVZDKBSYMCG-UHFFFAOYSA-N
Hvpx___62796_65_0 =  3.5E+01 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___62796_65_0 =  4.2E+01                                  ! [atm] type: M, ref: 1926
Hvpx___62796_65_0 =  5.5E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___62796_65_0 =  4.2E+01                                  ! [atm] type: V, ref: 2302
Hvpx___62796_65_0 =  7.5E+01                                  ! [atm] type: V, ref: 850
Hvpx___62796_65_0 =  1.8E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___62796_65_0 =  1.4E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___62796_65_0 =  2.0E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___62796_65_0 =  3.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___62796_65_0 =  3.2E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',4,6'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-51
! casrn:    68194-04-7
! inchikey: WVHNUGRFECMVLQ-UHFFFAOYSA-N
Hvpx___68194_04_7 =  2.2E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_04_7 =  5.5E+01                                  ! [atm] type: V, ref: 850
Hvpx___68194_04_7 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___68194_04_7 =  8.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___68194_04_7 =  7.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___68194_04_7 =  9.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___68194_04_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_04_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_04_7 =  2.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_04_7 =  2.7E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___68194_04_7 =  7.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',5,5'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-52
! casrn:    35693-99-3
! inchikey: HCWZEPKLWVAEOV-UHFFFAOYSA-N
Hvpx___35693_99_3 =  1.5E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___35693_99_3 =  1.4E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___35693_99_3 =  1.1E+02                                  ! [atm] type: M, ref: 3424
Hvpx___35693_99_3 =  1.9E+01                                  ! [atm] type: M, ref: 3424
Hvpx___35693_99_3 =  1.7E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___35693_99_3 =  1.3E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1146
Hvpx___35693_99_3 =  1.1E+01                                  ! [atm] type: M, ref: 1194
Hvpx___35693_99_3 =  1.9E+01                                  ! [atm] type: M, ref: 643
Hvpx___35693_99_3 =  1.9E+01                                  ! [atm] type: M, ref: 1140
Hvpx___35693_99_3 =  1.3E+01                                  ! [atm] type: M, ref: 853
Hvpx___35693_99_3 =  6.6E+00                                  ! [atm] type: M, ref: 1139
Hvpx___35693_99_3 =  1.2E+01                                  ! [atm] type: M, ref: 3797
Hvpx___35693_99_3 =  5.1E+01                                  ! [atm] type: M, ref: 1926
Hvpx___35693_99_3 =  1.5E+02 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___35693_99_3 =  2.6E+01                                  ! [atm] type: V, ref: 2612
Hvpx___35693_99_3 =  2.6E+01                                  ! [atm] type: V, ref: 633
Hvpx___35693_99_3 =  4.5E+00                                  ! [atm] type: V, ref: 2975
Hvpx___35693_99_3 =  2.6E+01                                  ! [atm] type: V, ref: 2302
Hvpx___35693_99_3 =  2.9E+01                                  ! [atm] type: V, ref: 850
Hvpx___35693_99_3 =  4.4E+01 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___35693_99_3 =  1.4E+01                                  ! [atm] type: X, ref: murphy83
Hvpx___35693_99_3 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___35693_99_3 =  9.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___35693_99_3 =  6.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___35693_99_3 =  8.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___35693_99_3 =  5.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___35693_99_3 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___35693_99_3 =  1.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___35693_99_3 =  1.1E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',5,6'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-53
! casrn:    41464-41-9
! inchikey: SFTUSTXGTCCSHX-UHFFFAOYSA-N
Hvpx___41464_41_9 =  2.2E+01                                  ! [atm] type: M, ref: 643
Hvpx___41464_41_9 =  2.2E+01                                  ! [atm] type: M, ref: 1140
Hvpx___41464_41_9 =  1.6E+01                                  ! [atm] type: M, ref: 853
Hvpx___41464_41_9 =  1.7E+01                                  ! [atm] type: M, ref: 3797
Hvpx___41464_41_9 =  1.0E+01                                  ! [atm] type: V, ref: 3586
Hvpx___41464_41_9 =  3.4E+02 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41464_41_9 =  1.6E+01                                  ! [atm] type: V, ref: 2302
Hvpx___41464_41_9 =  6.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___41464_41_9 =  9.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___41464_41_9 =  6.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___41464_41_9 =  9.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___41464_41_9 =  1.0E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_41_9 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_41_9 =  2.4E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,2',6,6'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-54
! casrn:    15968-05-5
! inchikey: PXAGFNRKXSYIHU-UHFFFAOYSA-N
Hvpx___15968_05_5 =  1.1E+01                                  ! [atm] type: M, ref: 1194
Hvpx___15968_05_5 =  3.0E+01                                  ! [atm] type: M, ref: 643
Hvpx___15968_05_5 =  3.0E+01                                  ! [atm] type: M, ref: 1140
Hvpx___15968_05_5 =  5.2E+03 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___15968_05_5 =  1.0E+02                                  ! [atm] type: V, ref: 850
Hvpx___15968_05_5 =  8.2E+00                                  ! [atm] type: C, ref: 643
Hvpx___15968_05_5 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___15968_05_5 =  8.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___15968_05_5 =  4.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___15968_05_5 =  8.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___15968_05_5 =  1.7E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___15968_05_5 =  2.0E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___15968_05_5 =  1.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx___15968_05_5 =  3.2E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___15968_05_5 =  1.1E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,3,3',4-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-55
! casrn:    74338-24-2
! inchikey: ZKGSEEWIVLAUNH-UHFFFAOYSA-N
Hvpx___74338_24_2 =  5.7E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74338_24_2 =  6.3E+00                                  ! [atm] type: V, ref: 850
Hvpx___74338_24_2 =  5.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74338_24_2 =  5.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74338_24_2 =  1.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___74338_24_2 =  1.3E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',4'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-56
! casrn:    41464-43-1
! inchikey: UNCGJRRROFURDV-UHFFFAOYSA-N
Hvpx___41464_43_1 =  1.4E+01 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___41464_43_1 =  9.0E+00                                  ! [atm] type: M, ref: 853
Hvpx___41464_43_1 =  1.1E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41464_43_1 =  5.2E+00                                  ! [atm] type: V, ref: 850
Hvpx___41464_43_1 =  7.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_43_1 =  5.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_43_1 =  8.4E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___41464_43_1 =  7.2E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',5-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-57
! casrn:    70424-67-8
! inchikey: DHDBTLFALXRTLB-UHFFFAOYSA-N
Hvpx___70424_67_8 =  6.1E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___70424_67_8 =  1.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___70424_67_8 =  4.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70424_67_8 =  7.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70424_67_8 =  1.5E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___70424_67_8 =  2.1E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',5'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-58
! casrn:    41464-49-7
! inchikey: IOPBNBSKOPJKEG-UHFFFAOYSA-N
Hvpx___41464_49_7 =  2.4E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41464_49_7 =  8.8E+00                                  ! [atm] type: V, ref: 850
Hvpx___41464_49_7 =  3.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_49_7 =  6.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_49_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___41464_49_7 =  2.3E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',6-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-59
! casrn:    74472-33-6
! inchikey: WZNAMGYIQPAXDH-UHFFFAOYSA-N
Hvpx___74472_33_6 =  1.2E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_33_6 =  1.9E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_33_6 =  6.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_33_6 =  6.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_33_6 =  1.7E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_33_6 =  2.0E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,4,4'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-60
! casrn:    33025-41-1
! inchikey: XLDBTRJKXLKYTC-UHFFFAOYSA-N
Hvpx___33025_41_1 =  9.0E+00                                  ! [atm] type: M, ref: 853
Hvpx___33025_41_1 =  4.6E+01                                  ! [atm] type: M, ref: 1926
Hvpx___33025_41_1 =  1.9E+02 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___33025_41_1 =  5.6E+00                                  ! [atm] type: V, ref: 850
Hvpx___33025_41_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___33025_41_1 =  6.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___33025_41_1 =  8.5E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___33025_41_1 =  8.4E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,3,4,5-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-61
! casrn:    33284-53-6
! inchikey: HLQDGCWIOSOMDP-UHFFFAOYSA-N
Hvpx___33284_53_6 =  1.1E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___33284_53_6 =  1.1E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___33284_53_6 =  5.7E+01                                  ! [atm] type: V, ref: 3586
Hvpx___33284_53_6 =  1.1E+02 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___33284_53_6 =  6.3E+00                                  ! [atm] type: V, ref: 850
Hvpx___33284_53_6 =  5.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___33284_53_6 =  6.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___33284_53_6 =  6.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___33284_53_6 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___33284_53_6 =  9.6E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,3,4,6-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-62
! casrn:    54230-22-7
! inchikey: HOBRTVXSIVSXIA-UHFFFAOYSA-N
Hvpx___54230_22_7 =  1.2E+01                                  ! [atm] type: M, ref: 1194
Hvpx___54230_22_7 =  7.7E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___54230_22_7 =  1.7E+01                                  ! [atm] type: V, ref: 850
Hvpx___54230_22_7 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___54230_22_7 =  9.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___54230_22_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___54230_22_7 =  3.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___54230_22_7 =  9.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___54230_22_7 =  8.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___54230_22_7 =  2.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___54230_22_7 =  2.0E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___54230_22_7 =  1.2E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,3,4',5-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-63
! casrn:    74472-34-7
! inchikey: CITMYAMXIZQCJD-UHFFFAOYSA-N
Hvpx___74472_34_7 =  2.2E+01 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___74472_34_7 =  1.6E+01                                  ! [atm] type: M, ref: 853
Hvpx___74472_34_7 =  5.8E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_34_7 =  9.7E+00                                  ! [atm] type: V, ref: 850
Hvpx___74472_34_7 =  8.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_34_7 =  7.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_34_7 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_34_7 =  1.6E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,4',6-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-64
! casrn:    52663-58-8
! inchikey: FXRXQYZZALWWGA-UHFFFAOYSA-N
Hvpx___52663_58_8 =  2.2E+01 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___52663_58_8 =  9.4E+00                                  ! [atm] type: M, ref: 853
Hvpx___52663_58_8 =  6.9E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_58_8 =  1.7E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_58_8 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___52663_58_8 =  7.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52663_58_8 =  4.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___52663_58_8 =  4.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52663_58_8 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_58_8 =  7.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_58_8 =  1.5E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___52663_58_8 =  1.5E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___52663_58_8 =  7.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,3,5,6-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-65
! casrn:    33284-54-7
! inchikey: BLAYIQLVUNIICD-UHFFFAOYSA-N
Hvpx___33284_54_7 =  1.1E+02 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___33284_54_7 =  1.5E+01                                  ! [atm] type: V, ref: 850
Hvpx___33284_54_7 =  1.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___33284_54_7 =  3.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___33284_54_7 =  7.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___33284_54_7 =  5.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___33284_54_7 =  1.9E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___33284_54_7 =  1.7E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3',4,4'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-66
! casrn:    32598-10-0
! inchikey: RKLLTEAEZIJBAU-UHFFFAOYSA-N
Hvpx___32598_10_0 =  2.0E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___32598_10_0 =  1.1E+01                                  ! [atm] type: M, ref: 853
Hvpx___32598_10_0 =  1.8E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___32598_10_0 =  4.6E+01                                  ! [atm] type: V, ref: 2302
Hvpx___32598_10_0 =  7.5E+00                                  ! [atm] type: V, ref: 850
Hvpx___32598_10_0 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___32598_10_0 =  4.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___32598_10_0 =  1.9E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___32598_10_0 =  2.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___32598_10_0 =  6.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___32598_10_0 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___32598_10_0 =  8.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___32598_10_0 =  1.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___32598_10_0 =  1.4E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___32598_10_0 =  6.6E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,3',4,5-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-67
! casrn:    73575-53-8
! inchikey: LQEGJNOKOZHBBZ-UHFFFAOYSA-N
Hvpx___73575_53_8 =  5.5E+00                                  ! [atm] type: M, ref: 1194
Hvpx___73575_53_8 =  3.4E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___73575_53_8 =  1.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___73575_53_8 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___73575_53_8 =  7.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___73575_53_8 =  2.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___73575_53_8 =  4.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___73575_53_8 =  6.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___73575_53_8 =  8.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___73575_53_8 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___73575_53_8 =  1.6E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___73575_53_8 =  5.5E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,3',4,5'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-68
! casrn:    73575-52-7
! inchikey: KTTXLLZIBIDUCR-UHFFFAOYSA-N
Hvpx___73575_52_7 =  7.6E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___73575_52_7 =  1.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___73575_52_7 =  6.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___73575_52_7 =  1.0E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___73575_52_7 =  2.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___73575_52_7 =  3.0E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3',4,6-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-69
! casrn:    60233-24-1
! inchikey: CKUBKYSLNCKBOI-UHFFFAOYSA-N
Hvpx___60233_24_1 =  2.9E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___60233_24_1 =  2.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___60233_24_1 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___60233_24_1 =  1.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx___60233_24_1 =  6.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___60233_24_1 =  4.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___60233_24_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___60233_24_1 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___60233_24_1 =  2.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___60233_24_1 =  3.5E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___60233_24_1 =  1.2E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,3',4',5-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-70
! casrn:    32598-11-1
! inchikey: KENZYIHFBRWMOD-UHFFFAOYSA-N
Hvpx___32598_11_1 =  1.7E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___32598_11_1 =  5.5E+00                                  ! [atm] type: M, ref: 1194
Hvpx___32598_11_1 =  1.0E+01                                  ! [atm] type: M, ref: 853
Hvpx___32598_11_1 =  4.8E+00                                  ! [atm] type: M, ref: 3793
Hvpx___32598_11_1 =  1.1E+01                                  ! [atm] type: M, ref: 3797
Hvpx___32598_11_1 =  1.4E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___32598_11_1 =  1.1E+01                                  ! [atm] type: V, ref: 2302
Hvpx___32598_11_1 =  8.4E+00                                  ! [atm] type: V, ref: 850
Hvpx___32598_11_1 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___32598_11_1 =  5.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___32598_11_1 =  2.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___32598_11_1 =  7.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___32598_11_1 =  9.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___32598_11_1 =  8.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___32598_11_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___32598_11_1 =  1.0E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___32598_11_1 =  5.5E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,3',4',6-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-71
! casrn:    41464-46-4
! inchikey: WYVBETQIUHPLFO-UHFFFAOYSA-N
Hvpx___41464_46_4 =  3.1E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41464_46_4 =  1.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___41464_46_4 =  1.5E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_46_4 =  7.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_46_4 =  1.7E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___41464_46_4 =  1.8E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3',5,5'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-72
! casrn:    41464-42-0
! inchikey: WBTMFEPLVQOWFI-UHFFFAOYSA-N
Hvpx___41464_42_0 =  1.4E+02 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41464_42_0 =  1.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___41464_42_0 =  4.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_42_0 =  1.0E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_42_0 =  2.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___41464_42_0 =  2.6E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3',5',6-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-73
! casrn:    74338-23-1
! inchikey: HDULUCZRGGWTMZ-UHFFFAOYSA-N
Hvpx___74338_23_1 =  8.6E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74338_23_1 =  2.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___74338_23_1 =  7.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74338_23_1 =  9.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74338_23_1 =  2.9E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___74338_23_1 =  3.4E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,4,4',5-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-74
! casrn:    32690-93-0
! inchikey: TULCXSBAPHCWCF-UHFFFAOYSA-N
Hvpx___32690_93_0 =  2.1E+01 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___32690_93_0 =  5.5E+00                                  ! [atm] type: M, ref: 1194
Hvpx___32690_93_0 =  1.2E+01                                  ! [atm] type: M, ref: 853
Hvpx___32690_93_0 =  1.1E+02 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___32690_93_0 =  9.5E+00                                  ! [atm] type: V, ref: 850
Hvpx___32690_93_0 =  1.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx___32690_93_0 =  7.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___32690_93_0 =  2.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___32690_93_0 =  4.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___32690_93_0 =  1.4E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___32690_93_0 =  8.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___32690_93_0 =  1.2E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___32690_93_0 =  1.2E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___32690_93_0 =  5.5E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,4,4',6-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-75
! casrn:    32598-12-2
! inchikey: RZFZBHKDGHISSH-UHFFFAOYSA-N
Hvpx___32598_12_2 =  2.7E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___32598_12_2 =  2.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___32598_12_2 =  2.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___32598_12_2 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___32598_12_2 =  2.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___32598_12_2 =  3.0E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3',4',5'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-76
! casrn:    70362-48-0
! inchikey: QILUYCYPNYWMIL-UHFFFAOYSA-N
Hvpx___70362_48_0 =  7.1E+00                                  ! [atm] type: M, ref: 853
Hvpx___70362_48_0 =  2.4E+02 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___70362_48_0 =  6.6E+00                                  ! [atm] type: V, ref: 850
Hvpx___70362_48_0 =  3.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_48_0 =  7.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_48_0 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___70362_48_0 =  1.2E+01                                  ! [atm] type: Q, ref: 1141

! species:  3,3',4,4'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-77
! casrn:    32598-13-3
! inchikey: UQMGJOKDKOLIDP-UHFFFAOYSA-N
Hvpx___32598_13_3 =  4.7E+01                                  ! [atm] type: M, ref: 3424
Hvpx___32598_13_3 =  7.7E+00                                  ! [atm] type: M, ref: 3424
Hvpx___32598_13_3 =  1.7E+01                                  ! [atm] type: M, ref: 2564
Hvpx___32598_13_3 =  3.0E+01                                  ! [atm] type: M, ref: 2564
Hvpx___32598_13_3 =  6.0E+00                                  ! [atm] type: M, ref: 2565
Hvpx___32598_13_3 =  1.9E+01 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx___32598_13_3 =  8.8E+00 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___32598_13_3 =  5.2E+00                                  ! [atm] type: M, ref: 643
Hvpx___32598_13_3 =  5.2E+00                                  ! [atm] type: M, ref: 1140
Hvpx___32598_13_3 =  9.1E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___32598_13_3 =  9.4E+00                                  ! [atm] type: V, ref: 2612
Hvpx___32598_13_3 =  9.4E-01                                  ! [atm] type: V, ref: 633
Hvpx___32598_13_3 =  9.3E-01                                  ! [atm] type: V, ref: 2302
Hvpx___32598_13_3 =  2.4E+00                                  ! [atm] type: V, ref: 850
Hvpx___32598_13_3 =  6.6E+01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___32598_13_3 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___32598_13_3 =  2.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___32598_13_3 =  1.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___32598_13_3 =  4.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___32598_13_3 =  5.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___32598_13_3 =  6.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___32598_13_3 =  5.7E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___32598_13_3 =  6.9E+00                                  ! [atm] type: Q, ref: 1145
Hvpx___32598_13_3 =  5.2E-01                                  ! [atm] type: ?, ref: 3586

! species:  3,3',4,5-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-78
! casrn:    70362-49-1
! inchikey: SXFLURRQRFKBNN-UHFFFAOYSA-N
Hvpx___70362_49_1 =  1.1E+02 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___70362_49_1 =  3.1E+00                                  ! [atm] type: V, ref: 850
Hvpx___70362_49_1 =  3.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_49_1 =  7.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_49_1 =  9.0E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___70362_49_1 =  1.3E+01                                  ! [atm] type: Q, ref: 1141

! species:  3,3',4,5'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-79
! casrn:    41464-48-6
! inchikey: QLCTXEMDCZGPCG-UHFFFAOYSA-N
Hvpx___41464_48_6 =  1.4E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41464_48_6 =  4.0E+00                                  ! [atm] type: V, ref: 850
Hvpx___41464_48_6 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___41464_48_6 =  4.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___41464_48_6 =  2.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___41464_48_6 =  6.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___41464_48_6 =  2.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_48_6 =  8.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_48_6 =  1.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___41464_48_6 =  1.9E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___41464_48_6 =  5.0E+00                                  ! [atm] type: ?, ref: 3586

! species:  3,3',5,5'-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-80
! casrn:    33284-52-5
! inchikey: UTMWFJSRHLYRPY-UHFFFAOYSA-N
Hvpx___33284_52_5 =  5.8E+02 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___33284_52_5 =  6.8E+00                                  ! [atm] type: V, ref: 850
Hvpx___33284_52_5 =  2.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___33284_52_5 =  1.0E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___33284_52_5 =  2.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___33284_52_5 =  3.4E+01                                  ! [atm] type: Q, ref: 1141

! species:  3,4,4',5-tetrachlorobiphenyl
! formula:  C_{12}H_6Cl_4
! trivial:  PCB-81
! casrn:    70362-50-4
! inchikey: BHWVLZJTVIYLIV-UHFFFAOYSA-N
Hvpx___70362_50_4 =  6.2E+00                                  ! [atm] type: M, ref: 2565
Hvpx___70362_50_4 =  1.3E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___70362_50_4 =  2.8E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___70362_50_4 =  2.8E+00                                  ! [atm] type: V, ref: 850
Hvpx___70362_50_4 =  6.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_50_4 =  7.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_50_4 =  7.9E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___70362_50_4 =  8.2E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,3',4-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-82
! casrn:    52663-62-4
! inchikey: AUGNBQPSMWGAJE-UHFFFAOYSA-N
Hvpx___52663_62_4 =  2.1E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___52663_62_4 =  6.5E+00                                  ! [atm] type: M, ref: 853
Hvpx___52663_62_4 =  1.1E+01                                  ! [atm] type: M, ref: 3797
Hvpx___52663_62_4 =  1.7E+02 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_62_4 =  1.1E+01                                  ! [atm] type: V, ref: 2302
Hvpx___52663_62_4 =  6.8E+00                                  ! [atm] type: V, ref: 850
Hvpx___52663_62_4 =  3.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_62_4 =  3.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_62_4 =  8.1E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___52663_62_4 =  6.8E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,3',5-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-83
! casrn:    60145-20-2
! inchikey: SUBRHHYLRGOTHL-UHFFFAOYSA-N
Hvpx___60145_20_2 =  2.3E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___60145_20_2 =  9.1E+00                                  ! [atm] type: M, ref: 853
Hvpx___60145_20_2 =  7.1E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___60145_20_2 =  1.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___60145_20_2 =  2.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___60145_20_2 =  4.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___60145_20_2 =  1.2E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___60145_20_2 =  1.5E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,3',6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-84
! casrn:    52663-60-2
! inchikey: QVWUJLANSDKRAH-UHFFFAOYSA-N
Hvpx___52663_60_2 =  9.6E+00                                  ! [atm] type: M, ref: 853
Hvpx___52663_60_2 =  2.3E+02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_60_2 =  2.8E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_60_2 =  4.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_60_2 =  4.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_60_2 =  1.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___52663_60_2 =  1.3E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4,4'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-85
! casrn:    65510-45-4
! inchikey: LACXVZHAJMVESG-UHFFFAOYSA-N
Hvpx___65510_45_4 =  2.4E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___65510_45_4 =  3.7E+00                                  ! [atm] type: M, ref: 1194
Hvpx___65510_45_4 =  9.1E+00                                  ! [atm] type: M, ref: 853
Hvpx___65510_45_4 =  1.9E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___65510_45_4 =  9.7E+00                                  ! [atm] type: V, ref: 850
Hvpx___65510_45_4 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___65510_45_4 =  3.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___65510_45_4 =  5.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___65510_45_4 =  4.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___65510_45_4 =  7.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___65510_45_4 =  5.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___65510_45_4 =  1.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___65510_45_4 =  1.4E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___65510_45_4 =  3.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4,5-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-86
! casrn:    55312-69-1
! inchikey: AIURIRUDHVDRFQ-UHFFFAOYSA-N
Hvpx___55312_69_1 =  1.7E+02                                  ! [atm] type: V, ref: 3586
Hvpx___55312_69_1 =  6.1E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___55312_69_1 =  8.3E+01                                  ! [atm] type: V, ref: 2612
Hvpx___55312_69_1 =  8.3E+01                                  ! [atm] type: V, ref: 633
Hvpx___55312_69_1 =  8.2E+01                                  ! [atm] type: V, ref: 2302
Hvpx___55312_69_1 =  4.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___55312_69_1 =  3.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___55312_69_1 =  7.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___55312_69_1 =  3.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___55312_69_1 =  4.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___55312_69_1 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___55312_69_1 =  9.4E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4,5'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-87
! casrn:    38380-02-8
! inchikey: OPKYDBFRKPQCBS-UHFFFAOYSA-N
Hvpx___38380_02_8 =  2.1E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___38380_02_8 =  7.0E+00                                  ! [atm] type: M, ref: 853
Hvpx___38380_02_8 =  4.0E+00                                  ! [atm] type: M, ref: 3793
Hvpx___38380_02_8 =  1.8E+01                                  ! [atm] type: M, ref: 3797
Hvpx___38380_02_8 =  1.3E+02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38380_02_8 =  1.4E+01                                  ! [atm] type: V, ref: 2612
Hvpx___38380_02_8 =  1.4E+01                                  ! [atm] type: V, ref: 633
Hvpx___38380_02_8 =  1.4E+01                                  ! [atm] type: V, ref: 2302
Hvpx___38380_02_8 =  1.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___38380_02_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___38380_02_8 =  3.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38380_02_8 =  2.4E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___38380_02_8 =  4.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38380_02_8 =  3.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_02_8 =  5.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_02_8 =  1.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38380_02_8 =  1.0E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___38380_02_8 =  4.1E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4,6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-88
! casrn:    55215-17-3
! inchikey: QGDKRLQRLFUJPP-UHFFFAOYSA-N
Hvpx___55215_17_3 =  5.7E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___55215_17_3 =  7.5E+01                                  ! [atm] type: V, ref: 850
Hvpx___55215_17_3 =  4.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___55215_17_3 =  7.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___55215_17_3 =  2.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___55215_17_3 =  1.9E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4,6'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-89
! casrn:    73575-57-2
! inchikey: GLOOIONSKMZYQZ-UHFFFAOYSA-N
Hvpx___73575_57_2 =  2.5E+01 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___73575_57_2 =  1.3E+02 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___73575_57_2 =  2.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___73575_57_2 =  6.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___73575_57_2 =  5.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___73575_57_2 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___73575_57_2 =  1.6E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4',5-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-90
! casrn:    68194-07-0
! inchikey: SUOAMBOBSWRMNQ-UHFFFAOYSA-N
Hvpx___68194_07_0 =  2.6E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_07_0 =  1.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___68194_07_0 =  5.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_07_0 =  6.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_07_0 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_07_0 =  2.1E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4',6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-91
! casrn:    68194-05-8
! inchikey: CXKIGWXPPVZSQK-UHFFFAOYSA-N
Hvpx___68194_05_8 =  2.8E+01 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___68194_05_8 =  1.5E+01                                  ! [atm] type: M, ref: 853
Hvpx___68194_05_8 =  4.9E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_05_8 =  4.0E+01                                  ! [atm] type: V, ref: 850
Hvpx___68194_05_8 =  8.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_05_8 =  6.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_05_8 =  1.9E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_05_8 =  2.0E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,5,5'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-92
! casrn:    52663-61-3
! inchikey: CRCBRZBVCDKPGA-UHFFFAOYSA-N
Hvpx___52663_61_3 =  2.5E+01 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___52663_61_3 =  4.5E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_61_3 =  1.8E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_61_3 =  2.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_61_3 =  5.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_61_3 =  1.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___52663_61_3 =  1.8E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,5,6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-93
! casrn:    73575-56-1
! inchikey: BMXRLHMJGHJGLR-UHFFFAOYSA-N
Hvpx___73575_56_1 =  1.3E+02 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___73575_56_1 =  6.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___73575_56_1 =  4.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___73575_56_1 =  4.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___73575_56_1 =  1.9E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___73575_56_1 =  1.6E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,5,6'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-94
! casrn:    73575-55-0
! inchikey: FJUVPPYNSDTRQV-UHFFFAOYSA-N
Hvpx___73575_55_0 =  1.2E+02 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___73575_55_0 =  3.9E+01                                  ! [atm] type: V, ref: 850
Hvpx___73575_55_0 =  4.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___73575_55_0 =  6.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___73575_55_0 =  2.2E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___73575_55_0 =  2.4E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,5',6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-95
! casrn:    38379-99-6
! inchikey: GXNNLIMMEXHBKV-UHFFFAOYSA-N
Hvpx___38379_99_6 =  2.6E+01 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38379_99_6 =  1.1E+01                                  ! [atm] type: M, ref: 853
Hvpx___38379_99_6 =  1.7E+02 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38379_99_6 =  4.5E+01                                  ! [atm] type: V, ref: 850
Hvpx___38379_99_6 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___38379_99_6 =  6.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38379_99_6 =  4.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38379_99_6 =  6.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38379_99_6 =  1.7E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38379_99_6 =  1.6E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___38379_99_6 =  6.6E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,6,6'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-96
! casrn:    73575-54-9
! inchikey: QQFGAXUIQVKBKU-UHFFFAOYSA-N
Hvpx___73575_54_9 =  6.3E+02 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___73575_54_9 =  7.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___73575_54_9 =  7.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___73575_54_9 =  8.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___73575_54_9 =  2.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___73575_54_9 =  2.1E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4',5'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-97
! casrn:    41464-51-1
! inchikey: JTUSORDQZVOEAZ-UHFFFAOYSA-N
Hvpx___41464_51_1 =  2.3E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___41464_51_1 =  4.1E+00                                  ! [atm] type: M, ref: 1194
Hvpx___41464_51_1 =  8.2E+00                                  ! [atm] type: M, ref: 853
Hvpx___41464_51_1 =  6.4E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41464_51_1 =  1.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___41464_51_1 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___41464_51_1 =  3.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___41464_51_1 =  3.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___41464_51_1 =  3.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___41464_51_1 =  4.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_51_1 =  4.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41464_51_1 =  1.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___41464_51_1 =  9.9E+00                                  ! [atm] type: Q, ref: 1141
Hvpx___41464_51_1 =  4.1E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4',6'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-98
! casrn:    60233-25-2
! inchikey: GOFFZTAPOOICFT-UHFFFAOYSA-N
Hvpx___60233_25_2 =  9.9E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___60233_25_2 =  3.8E+01                                  ! [atm] type: V, ref: 850
Hvpx___60233_25_2 =  7.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___60233_25_2 =  8.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___60233_25_2 =  2.2E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___60233_25_2 =  2.7E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',4,4',5-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-99
! casrn:    38380-01-7
! inchikey: LMQJBFRGXHMNOX-UHFFFAOYSA-N
Hvpx___38380_01_7 =  2.5E+01                                  ! [atm] type: M, ref: 2564
Hvpx___38380_01_7 =  1.3E+02                                  ! [atm] type: M, ref: 2564
Hvpx___38380_01_7 =  6.2E+01 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx___38380_01_7 =  2.7E+01 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38380_01_7 =  4.3E+00                                  ! [atm] type: M, ref: 1194
Hvpx___38380_01_7 =  1.2E+01                                  ! [atm] type: M, ref: 853
Hvpx___38380_01_7 =  2.6E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38380_01_7 =  1.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___38380_01_7 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___38380_01_7 =  6.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38380_01_7 =  8.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_01_7 =  6.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_01_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38380_01_7 =  1.7E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___38380_01_7 =  4.3E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',4,4',6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-100
! casrn:    39485-83-1
! inchikey: RKUAZJIXKHPFRK-UHFFFAOYSA-N
Hvpx___39485_83_1 =  5.6E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___39485_83_1 =  5.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___39485_83_1 =  1.4E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___39485_83_1 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___39485_83_1 =  3.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___39485_83_1 =  3.4E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',4,5,5'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-101
! casrn:    37680-73-2
! inchikey: LAHWLEDBADHJGA-UHFFFAOYSA-N
Hvpx___37680_73_2 =  1.7E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___37680_73_2 =  1.3E+01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___37680_73_2 =  7.9E+01                                  ! [atm] type: M, ref: 3424
Hvpx___37680_73_2 =  2.7E+01                                  ! [atm] type: M, ref: 3424
Hvpx___37680_73_2 =  2.3E+01 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___37680_73_2 =  1.4E+01                                  ! [atm] type: M, ref: 643
Hvpx___37680_73_2 =  1.4E+01                                  ! [atm] type: M, ref: 1140
Hvpx___37680_73_2 =  9.9E+00                                  ! [atm] type: M, ref: 853
Hvpx___37680_73_2 =  3.9E+00                                  ! [atm] type: M, ref: 1139
Hvpx___37680_73_2 =  6.1E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___37680_73_2 =  1.9E+01                                  ! [atm] type: V, ref: 2612
Hvpx___37680_73_2 =  1.9E+01                                  ! [atm] type: V, ref: 633
Hvpx___37680_73_2 =  1.9E+01                                  ! [atm] type: V, ref: 2302
Hvpx___37680_73_2 =  1.8E+01                                  ! [atm] type: V, ref: 850
Hvpx___37680_73_2 =  2.8E+01 * EXP(  -8100.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___37680_73_2 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___37680_73_2 =  6.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___37680_73_2 =  4.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___37680_73_2 =  4.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___37680_73_2 =  4.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___37680_73_2 =  6.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___37680_73_2 =  4.7E+00                                  ! [atm] type: Q, ref: 2535
Hvpx___37680_73_2 =  8.9E+00                                  ! [atm] type: Q, ref: 2543
Hvpx___37680_73_2 =  1.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___37680_73_2 =  5.1E+00                                  ! [atm] type: Q, ref: 1145
Hvpx___37680_73_2 =  5.0E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',4,5,6'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-102
! casrn:    68194-06-9
! inchikey: BWWVXHRLMPBDCK-UHFFFAOYSA-N
Hvpx___68194_06_9 =  5.0E+00                                  ! [atm] type: M, ref: 1194
Hvpx___68194_06_9 =  8.6E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_06_9 =  3.7E+01                                  ! [atm] type: V, ref: 850
Hvpx___68194_06_9 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___68194_06_9 =  6.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___68194_06_9 =  6.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___68194_06_9 =  4.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___68194_06_9 =  7.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_06_9 =  7.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_06_9 =  2.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_06_9 =  1.9E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___68194_06_9 =  5.0E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',4,5',6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-103
! casrn:    60145-21-3
! inchikey: PQHZWWBJPCNNGI-UHFFFAOYSA-N
Hvpx___60145_21_3 =  6.7E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___60145_21_3 =  6.0E+01                                  ! [atm] type: V, ref: 850
Hvpx___60145_21_3 =  7.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___60145_21_3 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___60145_21_3 =  2.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___60145_21_3 =  3.1E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',4,6,6'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-104
! casrn:    56558-16-8
! inchikey: MTCPZNVSDFCBBE-UHFFFAOYSA-N
Hvpx___56558_16_8 =  3.6E+01 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___56558_16_8 =  5.0E+01                                  ! [atm] type: M, ref: 643
Hvpx___56558_16_8 =  5.0E+01                                  ! [atm] type: M, ref: 1140
Hvpx___56558_16_8 =  2.0E+02 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___56558_16_8 =  1.3E+01                                  ! [atm] type: V, ref: 2612
Hvpx___56558_16_8 =  7.6E+00                                  ! [atm] type: V, ref: 633
Hvpx___56558_16_8 =  1.0E+02                                  ! [atm] type: V, ref: 850
Hvpx___56558_16_8 =  2.8E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___56558_16_8 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___56558_16_8 =  1.6E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___56558_16_8 =  4.1E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,3,3',4,4'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-105
! casrn:    32598-14-4
! inchikey: WIDHRBRBACOVOY-UHFFFAOYSA-N
Hvpx___32598_14_4 =  1.8E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___32598_14_4 =  7.5E+00 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___32598_14_4 =  3.1E+00                                  ! [atm] type: M, ref: 2565
Hvpx___32598_14_4 =  1.8E+01 * EXP(  -9100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___32598_14_4 =  4.6E+01                                  ! [atm] type: V, ref: 3586
Hvpx___32598_14_4 =  1.1E+02 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___32598_14_4 =  3.1E+00                                  ! [atm] type: V, ref: 850
Hvpx___32598_14_4 =  1.9E+01 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___32598_14_4 =  2.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___32598_14_4 =  2.7E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___32598_14_4 =  5.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___32598_14_4 =  3.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___32598_14_4 =  5.5E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___32598_14_4 =  3.3E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',4,5-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-106
! casrn:    70424-69-0
! inchikey: BQENMISTWGTJIJ-UHFFFAOYSA-N
Hvpx___70424_69_0 =  4.1E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___70424_69_0 =  2.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___70424_69_0 =  3.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70424_69_0 =  3.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70424_69_0 =  9.1E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___70424_69_0 =  1.1E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',4',5-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-107
! casrn:    70424-68-9
! inchikey: PVYBHVJTMRRXLG-UHFFFAOYSA-N
Hvpx___70424_68_9 =  1.3E+01 * EXP(  -2200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___70424_68_9 =  3.2E+00                                  ! [atm] type: M, ref: 853
Hvpx___70424_68_9 =  6.0E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___70424_68_9 =  5.3E+00                                  ! [atm] type: V, ref: 850
Hvpx___70424_68_9 =  2.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70424_68_9 =  4.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70424_68_9 =  8.8E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___70424_68_9 =  1.1E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',4,5'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-108
! casrn:    70362-41-3
! inchikey: MPCDNZSLJWJDNW-UHFFFAOYSA-N
Hvpx___70362_41_3 =  1.3E+02 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___70362_41_3 =  5.2E+00                                  ! [atm] type: V, ref: 850
Hvpx___70362_41_3 =  5.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_41_3 =  4.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70362_41_3 =  9.7E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___70362_41_3 =  1.9E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',4,6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-109
! casrn:    74472-35-8
! inchikey: XGQBSVVYMVILEL-UHFFFAOYSA-N
Hvpx___74472_35_8 =  3.7E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_35_8 =  2.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_35_8 =  4.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_35_8 =  4.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_35_8 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_35_8 =  2.2E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',4',6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-110
! casrn:    38380-03-9
! inchikey: ARXHIJMGSIYYRZ-UHFFFAOYSA-N
Hvpx___38380_03_9 =  2.4E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38380_03_9 =  5.9E+00                                  ! [atm] type: M, ref: 853
Hvpx___38380_03_9 =  2.0E+01                                  ! [atm] type: M, ref: 3797
Hvpx___38380_03_9 =  3.0E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38380_03_9 =  9.4E+00                                  ! [atm] type: V, ref: 850
Hvpx___38380_03_9 =  6.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_03_9 =  4.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_03_9 =  1.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38380_03_9 =  1.0E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',5,5'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-111
! casrn:    39635-32-0
! inchikey: QMUDLTGWHILKHH-UHFFFAOYSA-N
Hvpx___39635_32_0 =  8.4E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___39635_32_0 =  8.9E+00                                  ! [atm] type: V, ref: 850
Hvpx___39635_32_0 =  2.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___39635_32_0 =  7.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___39635_32_0 =  1.5E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___39635_32_0 =  2.7E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',5,6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-112
! casrn:    74472-36-9
! inchikey: NTKSJAPQYKCFPP-UHFFFAOYSA-N
Hvpx___74472_36_9 =  7.0E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_36_9 =  2.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_36_9 =  3.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_36_9 =  2.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_36_9 =  1.5E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_36_9 =  1.8E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',5',6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-113
! casrn:    68194-10-5
! inchikey: YDGFMDPEJCJZEV-UHFFFAOYSA-N
Hvpx___68194_10_5 =  3.5E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_10_5 =  1.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___68194_10_5 =  3.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_10_5 =  4.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_10_5 =  1.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_10_5 =  2.6E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,4,4',5-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-114
! casrn:    74472-37-0
! inchikey: SXZSFWHOSHAKMN-UHFFFAOYSA-N
Hvpx___74472_37_0 =  1.0E+01                                  ! [atm] type: M, ref: 2565
Hvpx___74472_37_0 =  3.8E+00                                  ! [atm] type: M, ref: 853
Hvpx___74472_37_0 =  4.4E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_37_0 =  1.9E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_37_0 =  6.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_37_0 =  4.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_37_0 =  7.9E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_37_0 =  6.3E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,3,4,4',6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-115
! casrn:    74472-38-1
! inchikey: IOVARPVVZDOPGQ-UHFFFAOYSA-N
Hvpx___74472_38_1 =  2.1E+01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_38_1 =  2.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_38_1 =  1.0E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_38_1 =  5.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_38_1 =  1.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_38_1 =  1.7E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,4,5,6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-116
! casrn:    18259-05-7
! inchikey: GGMPTLAAIUQMIE-UHFFFAOYSA-N
Hvpx___18259_05_7 =  1.3E+02 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___18259_05_7 =  1.0E+01                                  ! [atm] type: V, ref: 850
Hvpx___18259_05_7 =  5.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___18259_05_7 =  3.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___18259_05_7 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___18259_05_7 =  1.3E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,4',5,6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-117
! casrn:    68194-11-6
! inchikey: ZDDZPDTVCZLFFC-UHFFFAOYSA-N
Hvpx___68194_11_6 =  3.6E+02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_11_6 =  2.0E+01                                  ! [atm] type: V, ref: 850
Hvpx___68194_11_6 =  7.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_11_6 =  3.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_11_6 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_11_6 =  1.4E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3',4,4',5-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-118
! casrn:    31508-00-6
! inchikey: IUTPYMGCWINGEY-UHFFFAOYSA-N
Hvpx___31508_00_6 =  1.7E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___31508_00_6 =  7.9E+00 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___31508_00_6 =  1.2E+02                                  ! [atm] type: M, ref: 3424
Hvpx___31508_00_6 =  3.0E+01                                  ! [atm] type: M, ref: 3424
Hvpx___31508_00_6 =  4.8E+01                                  ! [atm] type: M, ref: 2564
Hvpx___31508_00_6 =  9.8E+01                                  ! [atm] type: M, ref: 2564
Hvpx___31508_00_6 =  9.5E+00                                  ! [atm] type: M, ref: 2565
Hvpx___31508_00_6 =  3.0E+01 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx___31508_00_6 =  2.0E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___31508_00_6 =  4.7E+00                                  ! [atm] type: M, ref: 853
Hvpx___31508_00_6 =  2.2E+01                                  ! [atm] type: M, ref: 3797
Hvpx___31508_00_6 =  1.6E+01                                  ! [atm] type: V, ref: 3586
Hvpx___31508_00_6 =  8.2E+01 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___31508_00_6 =  5.1E+00                                  ! [atm] type: V, ref: 850
Hvpx___31508_00_6 =  2.1E+01 * EXP(  -8100.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___31508_00_6 =  3.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___31508_00_6 =  7.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___31508_00_6 =  5.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___31508_00_6 =  7.0E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___31508_00_6 =  6.4E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,3',4,4',6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-119
! casrn:    56558-17-9
! inchikey: OAEQTHQGPZKTQP-UHFFFAOYSA-N
Hvpx___56558_17_9 =  3.7E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___56558_17_9 =  3.6E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___56558_17_9 =  1.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___56558_17_9 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___56558_17_9 =  5.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___56558_17_9 =  3.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___56558_17_9 =  4.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___56558_17_9 =  1.2E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___56558_17_9 =  7.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___56558_17_9 =  1.7E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___56558_17_9 =  2.5E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___56558_17_9 =  4.1E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,3',4,5,5'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-120
! casrn:    68194-12-7
! inchikey: ZLGYJAIAVPVCNF-UHFFFAOYSA-N
Hvpx___68194_12_7 =  3.1E+00                                  ! [atm] type: M, ref: 1194
Hvpx___68194_12_7 =  1.4E+02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_12_7 =  8.6E+00                                  ! [atm] type: V, ref: 850
Hvpx___68194_12_7 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___68194_12_7 =  6.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___68194_12_7 =  2.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___68194_12_7 =  4.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___68194_12_7 =  3.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_12_7 =  6.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_12_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_12_7 =  2.2E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___68194_12_7 =  3.1E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,3',4,5',6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-121
! casrn:    56558-18-0
! inchikey: XBVSGJGMWSKAKL-UHFFFAOYSA-N
Hvpx___56558_18_0 =  6.4E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___56558_18_0 =  2.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___56558_18_0 =  5.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___56558_18_0 =  8.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___56558_18_0 =  3.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___56558_18_0 =  4.1E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',4',5'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-122
! casrn:    76842-07-4
! inchikey: GWOWBISZHLPYEK-UHFFFAOYSA-N
Hvpx___76842_07_4 =  3.3E+00                                  ! [atm] type: M, ref: 853
Hvpx___76842_07_4 =  1.3E+02 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___76842_07_4 =  3.4E+00                                  ! [atm] type: V, ref: 850
Hvpx___76842_07_4 =  2.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___76842_07_4 =  3.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___76842_07_4 =  7.0E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___76842_07_4 =  7.6E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,3',4,4',5'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-123
! casrn:    65510-44-3
! inchikey: YAHNWSSFXMVPOU-UHFFFAOYSA-N
Hvpx___65510_44_3 =  1.2E+01                                  ! [atm] type: M, ref: 2565
Hvpx___65510_44_3 =  1.5E+02 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___65510_44_3 =  4.8E+00                                  ! [atm] type: V, ref: 850
Hvpx___65510_44_3 =  4.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___65510_44_3 =  5.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___65510_44_3 =  9.6E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___65510_44_3 =  1.4E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3',4',5,5'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-124
! casrn:    70424-70-3
! inchikey: PIVBPZFQXKMHBD-UHFFFAOYSA-N
Hvpx___70424_70_3 =  2.9E+00                                  ! [atm] type: M, ref: 853
Hvpx___70424_70_3 =  1.2E+02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___70424_70_3 =  5.4E+00                                  ! [atm] type: V, ref: 850
Hvpx___70424_70_3 =  2.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70424_70_3 =  5.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___70424_70_3 =  9.4E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___70424_70_3 =  1.1E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3',4',5',6-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-125
! casrn:    74472-39-2
! inchikey: WAZUWHGJMMZVHH-UHFFFAOYSA-N
Hvpx___74472_39_2 =  2.3E+02 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_39_2 =  8.2E+00                                  ! [atm] type: V, ref: 850
Hvpx___74472_39_2 =  3.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_39_2 =  4.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_39_2 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_39_2 =  1.8E+01                                  ! [atm] type: Q, ref: 1141

! species:  3,3',4,4',5-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-126
! casrn:    57465-28-8
! inchikey: REHONNLQRWTIFF-UHFFFAOYSA-N
Hvpx___57465_28_8 =  5.5E+00                                  ! [atm] type: M, ref: 2565
Hvpx___57465_28_8 =  1.1E+01 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___57465_28_8 =  3.4E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___57465_28_8 =  1.5E+00                                  ! [atm] type: V, ref: 850
Hvpx___57465_28_8 =  8.3E+00 * EXP(  -8800.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___57465_28_8 =  3.0E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___57465_28_8 =  3.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___57465_28_8 =  5.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___57465_28_8 =  4.5E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___57465_28_8 =  3.0E+00                                  ! [atm] type: Q, ref: 1141

! species:  3,3',4,5,5'-pentachlorobiphenyl
! formula:  C_{12}H_5Cl_5
! trivial:  PCB-127
! casrn:    39635-33-1
! inchikey: MXVAYAXIPRGORY-UHFFFAOYSA-N
Hvpx___39635_33_1 =  2.5E+02 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___39635_33_1 =  2.5E+00                                  ! [atm] type: V, ref: 850
Hvpx___39635_33_1 =  1.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___39635_33_1 =  6.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___39635_33_1 =  8.6E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___39635_33_1 =  1.9E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,3',4,4'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-128
! casrn:    38380-07-3
! inchikey: BTAGRXWGMYTPBY-UHFFFAOYSA-N
Hvpx___38380_07_3 =  1.9E+01 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___38380_07_3 =  7.2E-01                                  ! [atm] type: M, ref: 1194
Hvpx___38380_07_3 =  1.7E+00                                  ! [atm] type: M, ref: 643
Hvpx___38380_07_3 =  1.7E+00                                  ! [atm] type: M, ref: 1140
Hvpx___38380_07_3 =  3.2E+00                                  ! [atm] type: M, ref: 853
Hvpx___38380_07_3 =  2.8E+01                                  ! [atm] type: M, ref: 3797
Hvpx___38380_07_3 =  7.9E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38380_07_3 =  6.5E+00                                  ! [atm] type: V, ref: 2612
Hvpx___38380_07_3 =  6.5E+00                                  ! [atm] type: V, ref: 633
Hvpx___38380_07_3 =  6.6E+00                                  ! [atm] type: V, ref: 2302
Hvpx___38380_07_3 =  3.7E+00                                  ! [atm] type: V, ref: 850
Hvpx___38380_07_3 =  2.8E+01                                  ! [atm] type: X, ref: murphy83
Hvpx___38380_07_3 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___38380_07_3 =  1.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38380_07_3 =  3.7E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___38380_07_3 =  3.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38380_07_3 =  2.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38380_07_3 =  3.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_07_3 =  2.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_07_3 =  4.7E+00                                  ! [atm] type: Q, ref: 2543
Hvpx___38380_07_3 =  5.7E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___38380_07_3 =  7.2E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',4,5-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-129
! casrn:    55215-18-4
! inchikey: VQQKIXKPMJTUMP-UHFFFAOYSA-N
Hvpx___55215_18_4 =  1.6E+00                                  ! [atm] type: M, ref: 1194
Hvpx___55215_18_4 =  8.5E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___55215_18_4 =  2.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___55215_18_4 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___55215_18_4 =  2.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___55215_18_4 =  3.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___55215_18_4 =  2.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___55215_18_4 =  1.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___55215_18_4 =  2.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___55215_18_4 =  7.7E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___55215_18_4 =  4.7E+00                                  ! [atm] type: Q, ref: 1141
Hvpx___55215_18_4 =  1.6E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',4,5'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-130
! casrn:    52663-66-8
! inchikey: YFSLABAYQDPWPF-UHFFFAOYSA-N
Hvpx___52663_66_8 =  2.0E+00                                  ! [atm] type: M, ref: 1194
Hvpx___52663_66_8 =  5.9E+00                                  ! [atm] type: M, ref: 853
Hvpx___52663_66_8 =  9.3E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_66_8 =  6.3E+00                                  ! [atm] type: V, ref: 850
Hvpx___52663_66_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___52663_66_8 =  2.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52663_66_8 =  2.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___52663_66_8 =  2.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52663_66_8 =  1.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_66_8 =  2.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_66_8 =  8.4E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___52663_66_8 =  1.1E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___52663_66_8 =  2.0E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',4,6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-131
! casrn:    61798-70-7
! inchikey: WDLTVNWWEZJMPF-UHFFFAOYSA-N
Hvpx___61798_70_7 =  3.6E+00                                  ! [atm] type: M, ref: 853
Hvpx___61798_70_7 =  1.8E+02 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___61798_70_7 =  3.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___61798_70_7 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___61798_70_7 =  3.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___61798_70_7 =  3.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___61798_70_7 =  2.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___61798_70_7 =  3.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___61798_70_7 =  2.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___61798_70_7 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___61798_70_7 =  1.4E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___61798_70_7 =  2.2E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',4,6'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-132
! casrn:    38380-05-1
! inchikey: OKBJVIVEFXPEOU-UHFFFAOYSA-N
Hvpx___38380_05_1 =  1.3E+01 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38380_05_1 =  2.4E+00                                  ! [atm] type: M, ref: 1194
Hvpx___38380_05_1 =  1.3E+02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38380_05_1 =  1.5E+01                                  ! [atm] type: V, ref: 850
Hvpx___38380_05_1 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___38380_05_1 =  2.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38380_05_1 =  2.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38380_05_1 =  3.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38380_05_1 =  3.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_05_1 =  2.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_05_1 =  2.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx___38380_05_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38380_05_1 =  8.9E+00                                  ! [atm] type: Q, ref: 1141
Hvpx___38380_05_1 =  2.4E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',5,5'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-133
! casrn:    35694-04-3
! inchikey: AJKLKINFZLWHQE-UHFFFAOYSA-N
Hvpx___35694_04_3 =  1.3E+02 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___35694_04_3 =  1.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___35694_04_3 =  3.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___35694_04_3 =  1.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___35694_04_3 =  2.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___35694_04_3 =  1.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___35694_04_3 =  1.8E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,3',5,6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-134
! casrn:    52704-70-8
! inchikey: RVWLHPJFOKUPNM-UHFFFAOYSA-N
Hvpx___52704_70_8 =  4.7E+01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___52704_70_8 =  2.7E+00                                  ! [atm] type: M, ref: 1194
Hvpx___52704_70_8 =  5.4E+00                                  ! [atm] type: M, ref: 853
Hvpx___52704_70_8 =  3.2E+01                                  ! [atm] type: M, ref: 3797
Hvpx___52704_70_8 =  2.0E+02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52704_70_8 =  3.0E+01                                  ! [atm] type: V, ref: 850
Hvpx___52704_70_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___52704_70_8 =  3.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52704_70_8 =  2.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___52704_70_8 =  2.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52704_70_8 =  2.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52704_70_8 =  1.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52704_70_8 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___52704_70_8 =  1.1E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___52704_70_8 =  2.7E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',5,6'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-135
! casrn:    52744-13-5
! inchikey: UUTNFLRSJBQQJM-UHFFFAOYSA-N
Hvpx___52744_13_5 =  3.7E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___52744_13_5 =  3.1E+00                                  ! [atm] type: M, ref: 1194
Hvpx___52744_13_5 =  7.7E+00                                  ! [atm] type: M, ref: 853
Hvpx___52744_13_5 =  1.1E+02 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52744_13_5 =  2.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___52744_13_5 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___52744_13_5 =  4.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52744_13_5 =  2.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___52744_13_5 =  3.0E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52744_13_5 =  2.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52744_13_5 =  2.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52744_13_5 =  1.5E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___52744_13_5 =  1.7E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___52744_13_5 =  3.1E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',6,6'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-136
! casrn:    38411-22-2
! inchikey: FZFUUSROAHKTTF-UHFFFAOYSA-N
Hvpx___38411_22_2 =  6.1E+01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38411_22_2 =  4.9E+00                                  ! [atm] type: M, ref: 1194
Hvpx___38411_22_2 =  1.2E+01                                  ! [atm] type: M, ref: 853
Hvpx___38411_22_2 =  3.3E+02 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38411_22_2 =  5.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___38411_22_2 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___38411_22_2 =  4.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38411_22_2 =  2.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38411_22_2 =  3.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38411_22_2 =  3.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38411_22_2 =  3.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38411_22_2 =  1.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38411_22_2 =  1.4E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___38411_22_2 =  4.9E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4,4',5-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-137
! casrn:    35694-06-5
! inchikey: CKLLRBPBZLTGDJ-UHFFFAOYSA-N
Hvpx___35694_06_5 =  1.2E+01 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___35694_06_5 =  3.8E+00                                  ! [atm] type: M, ref: 853
Hvpx___35694_06_5 =  2.7E+01                                  ! [atm] type: M, ref: 3797
Hvpx___35694_06_5 =  3.0E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___35694_06_5 =  3.0E+01                                  ! [atm] type: V, ref: 850
Hvpx___35694_06_5 =  3.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___35694_06_5 =  3.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___35694_06_5 =  1.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___35694_06_5 =  1.2E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4,4',5'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-138
! casrn:    35065-28-2
! inchikey: RPUMZMSNLZHIGZ-UHFFFAOYSA-N
Hvpx___35065_28_2 =  2.2E+01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___35065_28_2 =  1.6E+01 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___35065_28_2 =  2.4E+01 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___35065_28_2 =  1.2E+00                                  ! [atm] type: M, ref: 1194
Hvpx___35065_28_2 =  4.2E+00                                  ! [atm] type: M, ref: 853
Hvpx___35065_28_2 =  4.0E+00                                  ! [atm] type: M, ref: 3793
Hvpx___35065_28_2 =  2.7E+01                                  ! [atm] type: M, ref: 3797
Hvpx___35065_28_2 =  3.0E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___35065_28_2 =  4.5E+01                                  ! [atm] type: V, ref: 2302
Hvpx___35065_28_2 =  6.0E+00                                  ! [atm] type: V, ref: 850
Hvpx___35065_28_2 =  1.2E+01 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___35065_28_2 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___35065_28_2 =  2.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___35065_28_2 =  3.7E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___35065_28_2 =  3.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___35065_28_2 =  2.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___35065_28_2 =  3.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___35065_28_2 =  3.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___35065_28_2 =  1.1E+00                                  ! [atm] type: Q, ref: 2535
Hvpx___35065_28_2 =  7.2E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___35065_28_2 =  5.9E+00                                  ! [atm] type: Q, ref: 1141
Hvpx___35065_28_2 =  1.2E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4,4',6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-139
! casrn:    56030-56-9
! inchikey: SPOPSCCFZQFGDL-UHFFFAOYSA-N
Hvpx___56030_56_9 =  3.8E+01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___56030_56_9 =  4.8E+01                                  ! [atm] type: V, ref: 850
Hvpx___56030_56_9 =  6.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___56030_56_9 =  4.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___56030_56_9 =  1.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___56030_56_9 =  2.1E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4,4',6'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-140
! casrn:    59291-64-4
! inchikey: XBBRGUHRZBZMPP-UHFFFAOYSA-N
Hvpx___59291_64_4 =  3.1E+01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___59291_64_4 =  2.0E+01                                  ! [atm] type: V, ref: 850
Hvpx___59291_64_4 =  6.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___59291_64_4 =  4.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___59291_64_4 =  1.7E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___59291_64_4 =  2.4E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4,5,5'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-141
! casrn:    52712-04-6
! inchikey: UCLKLGIYGBLTSM-UHFFFAOYSA-N
Hvpx___52712_04_6 =  2.8E+01 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___52712_04_6 =  1.3E+00                                  ! [atm] type: M, ref: 1194
Hvpx___52712_04_6 =  5.4E+00                                  ! [atm] type: M, ref: 853
Hvpx___52712_04_6 =  2.2E+01                                  ! [atm] type: M, ref: 3797
Hvpx___52712_04_6 =  5.4E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52712_04_6 =  2.2E+01                                  ! [atm] type: V, ref: 2302
Hvpx___52712_04_6 =  3.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___52712_04_6 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___52712_04_6 =  3.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52712_04_6 =  4.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___52712_04_6 =  2.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52712_04_6 =  1.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52712_04_6 =  3.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52712_04_6 =  9.6E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___52712_04_6 =  7.9E+00                                  ! [atm] type: Q, ref: 1141
Hvpx___52712_04_6 =  1.3E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4,5,6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-142
! casrn:    41411-61-4
! inchikey: RUEIBQJFGMERJD-UHFFFAOYSA-N
Hvpx___41411_61_4 =  1.4E+02 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41411_61_4 =  3.9E+01                                  ! [atm] type: V, ref: 850
Hvpx___41411_61_4 =  3.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41411_61_4 =  2.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41411_61_4 =  1.7E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___41411_61_4 =  1.2E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4,5,6'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-143
! casrn:    68194-15-0
! inchikey: UQPQKLGBEKEZBV-UHFFFAOYSA-N
Hvpx___68194_15_0 =  8.4E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_15_0 =  7.0E+01                                  ! [atm] type: V, ref: 850
Hvpx___68194_15_0 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___68194_15_0 =  3.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___68194_15_0 =  3.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___68194_15_0 =  3.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___68194_15_0 =  3.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_15_0 =  2.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_15_0 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_15_0 =  1.4E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___68194_15_0 =  2.2E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4,5',6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-144
! casrn:    68194-14-9
! inchikey: CXXRQFOKRZJAJA-UHFFFAOYSA-N
Hvpx___68194_14_9 =  7.7E+00                                  ! [atm] type: M, ref: 853
Hvpx___68194_14_9 =  3.3E+01                                  ! [atm] type: M, ref: 3797
Hvpx___68194_14_9 =  4.4E+01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_14_9 =  3.3E+01                                  ! [atm] type: V, ref: 2302
Hvpx___68194_14_9 =  5.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___68194_14_9 =  3.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_14_9 =  4.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_14_9 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_14_9 =  1.8E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4,6,6'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-145
! casrn:    74472-40-5
! inchikey: JZFZCLFEPXCRCA-UHFFFAOYSA-N
Hvpx___74472_40_5 =  3.6E+02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_40_5 =  9.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_40_5 =  5.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_40_5 =  5.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_40_5 =  2.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_40_5 =  2.3E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4',5,5'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-146
! casrn:    51908-16-8
! inchikey: BQHCQAQLTCQFJZ-UHFFFAOYSA-N
Hvpx___51908_16_8 =  3.1E+01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___51908_16_8 =  1.4E+00                                  ! [atm] type: M, ref: 1194
Hvpx___51908_16_8 =  4.9E+00                                  ! [atm] type: M, ref: 853
Hvpx___51908_16_8 =  4.4E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___51908_16_8 =  1.0E+01                                  ! [atm] type: V, ref: 850
Hvpx___51908_16_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___51908_16_8 =  4.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___51908_16_8 =  2.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___51908_16_8 =  2.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___51908_16_8 =  2.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___51908_16_8 =  3.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___51908_16_8 =  1.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___51908_16_8 =  1.4E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___51908_16_8 =  1.4E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4',5,6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-147
! casrn:    68194-13-8
! inchikey: AQONCPKMJSBHQT-UHFFFAOYSA-N
Hvpx___68194_13_8 =  2.8E+00                                  ! [atm] type: M, ref: 1194
Hvpx___68194_13_8 =  1.8E+02 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_13_8 =  4.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___68194_13_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___68194_13_8 =  6.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___68194_13_8 =  3.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___68194_13_8 =  2.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___68194_13_8 =  4.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_13_8 =  2.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_13_8 =  1.7E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_13_8 =  1.8E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___68194_13_8 =  2.8E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4',5,6'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-148
! casrn:    74472-41-6
! inchikey: CTVRBEKNQHJPLX-UHFFFAOYSA-N
Hvpx___74472_41_6 =  4.4E+01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_41_6 =  3.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_41_6 =  4.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_41_6 =  5.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_41_6 =  2.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_41_6 =  3.1E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4',5',6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-149
! casrn:    38380-04-0
! inchikey: LKHLFUVHHXCNJH-UHFFFAOYSA-N
Hvpx___38380_04_0 =  3.5E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38380_04_0 =  8.2E+00                                  ! [atm] type: M, ref: 853
Hvpx___38380_04_0 =  1.7E+01                                  ! [atm] type: M, ref: 3797
Hvpx___38380_04_0 =  7.6E+01                                  ! [atm] type: V, ref: 3586
Hvpx___38380_04_0 =  5.4E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38380_04_0 =  1.6E+01                                  ! [atm] type: V, ref: 2302
Hvpx___38380_04_0 =  2.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___38380_04_0 =  4.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38380_04_0 =  4.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_04_0 =  3.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_04_0 =  2.6E+00                                  ! [atm] type: Q, ref: 2535
Hvpx___38380_04_0 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___38380_04_0 =  1.2E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,4',6,6'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-150
! casrn:    68194-08-1
! inchikey: RPPNJBZNXQNKNM-UHFFFAOYSA-N
Hvpx___68194_08_1 =  8.5E+01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_08_1 =  6.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___68194_08_1 =  7.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_08_1 =  6.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_08_1 =  2.8E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_08_1 =  2.9E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,5,5',6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-151
! casrn:    52663-63-5
! inchikey: UHCLFIWDCYOTOL-UHFFFAOYSA-N
Hvpx___52663_63_5 =  3.8E+01 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___52663_63_5 =  3.3E+00                                  ! [atm] type: M, ref: 1194
Hvpx___52663_63_5 =  8.7E+00                                  ! [atm] type: M, ref: 853
Hvpx___52663_63_5 =  1.7E+01                                  ! [atm] type: M, ref: 3797
Hvpx___52663_63_5 =  1.0E+02 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_63_5 =  1.6E+01                                  ! [atm] type: V, ref: 2302
Hvpx___52663_63_5 =  4.7E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_63_5 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___52663_63_5 =  6.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52663_63_5 =  3.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___52663_63_5 =  2.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52663_63_5 =  2.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_63_5 =  2.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_63_5 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___52663_63_5 =  1.4E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___52663_63_5 =  3.3E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,5,6,6'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-152
! casrn:    68194-09-2
! inchikey: CLODVDBWNVQLGO-UHFFFAOYSA-N
Hvpx___68194_09_2 =  4.4E+02 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_09_2 =  8.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___68194_09_2 =  4.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_09_2 =  2.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_09_2 =  2.4E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_09_2 =  1.9E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',4,4',5,5'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-153
! casrn:    35065-27-1
! inchikey: MVWHGTYKUMDIHL-UHFFFAOYSA-N
Hvpx___35065_27_1 =  1.4E+01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___35065_27_1 =  1.1E+01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___35065_27_1 =  2.9E+01 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___35065_27_1 =  1.3E+00                                  ! [atm] type: M, ref: 1194
Hvpx___35065_27_1 =  7.3E+00                                  ! [atm] type: M, ref: 643
Hvpx___35065_27_1 =  7.3E+00                                  ! [atm] type: M, ref: 1140
Hvpx___35065_27_1 =  5.5E+00                                  ! [atm] type: M, ref: 853
Hvpx___35065_27_1 =  3.3E+00                                  ! [atm] type: M, ref: 1139
Hvpx___35065_27_1 =  1.9E+01                                  ! [atm] type: M, ref: 3797
Hvpx___35065_27_1 =  5.1E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___35065_27_1 =  2.3E+01                                  ! [atm] type: V, ref: 2612
Hvpx___35065_27_1 =  2.3E+01                                  ! [atm] type: V, ref: 633
Hvpx___35065_27_1 =  2.3E+01                                  ! [atm] type: V, ref: 2302
Hvpx___35065_27_1 =  9.8E+00                                  ! [atm] type: V, ref: 850
Hvpx___35065_27_1 =  3.2E+01 * EXP(  -8400.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___35065_27_1 =  1.9E+01                                  ! [atm] type: X, ref: murphy83
Hvpx___35065_27_1 =  6.8E+00                                  ! [atm] type: C, ref: 643
Hvpx___35065_27_1 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___35065_27_1 =  4.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___35065_27_1 =  3.1E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___35065_27_1 =  3.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___35065_27_1 =  2.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___35065_27_1 =  4.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___35065_27_1 =  4.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___35065_27_1 =  1.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx___35065_27_1 =  9.1E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___35065_27_1 =  1.3E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',4,4',5,6'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-154
! casrn:    60145-22-4
! inchikey: QXZHEJWDLVUFFB-UHFFFAOYSA-N
Hvpx___60145_22_4 =  4.2E+01 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___60145_22_4 =  3.1E+01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___60145_22_4 =  3.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___60145_22_4 =  3.0E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___60145_22_4 =  8.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___60145_22_4 =  6.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___60145_22_4 =  2.1E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___60145_22_4 =  2.7E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,2',4,4',6,6'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-155
! casrn:    33979-03-2
! inchikey: ICOAEPDGFWLUTI-UHFFFAOYSA-N
Hvpx___33979_03_2 =  4.2E+01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___33979_03_2 =  5.0E+01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___33979_03_2 =  4.2E+01                                  ! [atm] type: M, ref: 643
Hvpx___33979_03_2 =  4.2E+01                                  ! [atm] type: M, ref: 1140
Hvpx___33979_03_2 =  1.4E+02                                  ! [atm] type: V, ref: 3586
Hvpx___33979_03_2 =  1.2E+02 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___33979_03_2 =  4.7E+01                                  ! [atm] type: V, ref: 2612
Hvpx___33979_03_2 =  4.7E+01                                  ! [atm] type: V, ref: 633
Hvpx___33979_03_2 =  4.5E+02                                  ! [atm] type: V, ref: 2302
Hvpx___33979_03_2 =  8.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___33979_03_2 =  6.4E+00                                  ! [atm] type: C, ref: 643
Hvpx___33979_03_2 =  1.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx___33979_03_2 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___33979_03_2 =  1.3E+01                                  ! [atm] type: Q, ref: 2932
Hvpx___33979_03_2 =  4.7E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,3,3',4,4',5-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-156
! casrn:    38380-08-4
! inchikey: LCXMEXLGMKFLQO-UHFFFAOYSA-N
Hvpx___38380_08_4 =  8.1E+00                                  ! [atm] type: M, ref: 2565
Hvpx___38380_08_4 =  1.9E+01 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38380_08_4 =  4.8E+01                                  ! [atm] type: M, ref: 3797
Hvpx___38380_08_4 =  7.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx___38380_08_4 =  9.3E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38380_08_4 =  4.8E+01                                  ! [atm] type: V, ref: 2302
Hvpx___38380_08_4 =  9.6E+00                                  ! [atm] type: V, ref: 850
Hvpx___38380_08_4 =  2.0E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38380_08_4 =  3.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_08_4 =  2.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38380_08_4 =  4.9E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___38380_08_4 =  1.2E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',4,4',5'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-157
! casrn:    69782-90-7
! inchikey: YTWXDQVNPCIEOX-UHFFFAOYSA-N
Hvpx___69782_90_7 =  9.1E+00                                  ! [atm] type: M, ref: 2565
Hvpx___69782_90_7 =  1.6E+01 * EXP( -16000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___69782_90_7 =  3.2E+01                                  ! [atm] type: M, ref: 3797
Hvpx___69782_90_7 =  2.4E+02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___69782_90_7 =  3.3E+01                                  ! [atm] type: V, ref: 2302
Hvpx___69782_90_7 =  1.8E+00                                  ! [atm] type: V, ref: 850
Hvpx___69782_90_7 =  2.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___69782_90_7 =  2.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___69782_90_7 =  4.7E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___69782_90_7 =  3.7E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',4,4',6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-158
! casrn:    74472-42-7
! inchikey: ZQUPQXINXTWCQR-UHFFFAOYSA-N
Hvpx___74472_42_7 =  2.6E+01 * EXP(  -9600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___74472_42_7 =  2.4E+00                                  ! [atm] type: M, ref: 853
Hvpx___74472_42_7 =  3.5E+01                                  ! [atm] type: M, ref: 3797
Hvpx___74472_42_7 =  5.9E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_42_7 =  3.6E+01                                  ! [atm] type: V, ref: 2302
Hvpx___74472_42_7 =  1.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_42_7 =  5.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_42_7 =  2.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_42_7 =  9.1E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_42_7 =  1.2E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',4,5,5'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-159
! casrn:    39635-35-3
! inchikey: YZKLGRAIIIGOHB-UHFFFAOYSA-N
Hvpx___39635_35_3 =  1.1E+00                                  ! [atm] type: M, ref: 1194
Hvpx___39635_35_3 =  1.9E+02 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___39635_35_3 =  1.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___39635_35_3 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___39635_35_3 =  3.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___39635_35_3 =  2.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___39635_35_3 =  2.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___39635_35_3 =  1.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___39635_35_3 =  3.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___39635_35_3 =  8.6E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___39635_35_3 =  1.7E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___39635_35_3 =  1.1E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,3,3',4,5,6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-160
! casrn:    41411-62-5
! inchikey: JHJMZCXLJXRCHK-UHFFFAOYSA-N
Hvpx___41411_62_5 =  1.1E+00                                  ! [atm] type: M, ref: 1194
Hvpx___41411_62_5 =  6.9E+01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41411_62_5 =  1.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___41411_62_5 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___41411_62_5 =  5.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___41411_62_5 =  4.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___41411_62_5 =  1.4E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___41411_62_5 =  2.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41411_62_5 =  1.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41411_62_5 =  1.2E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___41411_62_5 =  1.4E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___41411_62_5 =  1.1E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,3,3',4,5',6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-161
! casrn:    74472-43-8
! inchikey: UNPTZXSJGZTGJJ-UHFFFAOYSA-N
Hvpx___74472_43_8 =  5.9E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_43_8 =  1.9E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_43_8 =  2.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_43_8 =  3.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_43_8 =  1.6E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_43_8 =  2.8E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',4',5,5'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-162
! casrn:    39635-34-2
! inchikey: AHZUOPSGLWYCNF-UHFFFAOYSA-N
Hvpx___39635_34_2 =  1.5E+02 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___39635_34_2 =  3.0E+00                                  ! [atm] type: V, ref: 850
Hvpx___39635_34_2 =  2.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___39635_34_2 =  3.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___39635_34_2 =  7.3E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___39635_34_2 =  1.1E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',4',5,6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-163
! casrn:    74472-44-9
! inchikey: ZAGRQXMWMRUYRB-UHFFFAOYSA-N
Hvpx___74472_44_9 =  2.6E+01 * EXP(  -9700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___74472_44_9 =  8.3E-01                                  ! [atm] type: M, ref: 1194
Hvpx___74472_44_9 =  1.1E+02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_44_9 =  1.0E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_44_9 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___74472_44_9 =  3.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___74472_44_9 =  2.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___74472_44_9 =  2.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___74472_44_9 =  3.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_44_9 =  1.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_44_9 =  9.2E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_44_9 =  8.7E+00                                  ! [atm] type: Q, ref: 1141
Hvpx___74472_44_9 =  8.3E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,3,3',4',5',6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-164
! casrn:    74472-45-0
! inchikey: HAZQOLYHFUUJJN-UHFFFAOYSA-N
Hvpx___74472_45_0 =  5.8E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_45_0 =  5.5E+00                                  ! [atm] type: V, ref: 850
Hvpx___74472_45_0 =  3.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_45_0 =  2.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_45_0 =  9.8E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_45_0 =  1.1E+01                                  ! [atm] type: Q, ref: 1141

! species:  2,3,3',5,5',6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-165
! casrn:    74472-46-1
! inchikey: ZEATXTCWXKQPHO-UHFFFAOYSA-N
Hvpx___74472_46_1 =  1.6E+00                                  ! [atm] type: M, ref: 1194
Hvpx___74472_46_1 =  2.2E+02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_46_1 =  1.7E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_46_1 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___74472_46_1 =  6.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___74472_46_1 =  3.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___74472_46_1 =  2.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___74472_46_1 =  1.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_46_1 =  1.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_46_1 =  1.5E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___74472_46_1 =  2.5E+01                                  ! [atm] type: Q, ref: 1141
Hvpx___74472_46_1 =  1.6E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,3,4,4',5,6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-166
! casrn:    41411-63-6
! inchikey: BTOCFTAWZMMTNB-UHFFFAOYSA-N
Hvpx___41411_63_6 =  1.6E+02 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41411_63_6 =  1.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___41411_63_6 =  4.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___41411_63_6 =  1.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___41411_63_6 =  5.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41411_63_6 =  1.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41411_63_6 =  1.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___41411_63_6 =  9.5E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,3',4,4',5,5'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-167
! casrn:    52663-72-6
! inchikey: AZXHAWRMEPZSSV-UHFFFAOYSA-N
Hvpx___52663_72_6 =  7.0E+00                                  ! [atm] type: M, ref: 2565
Hvpx___52663_72_6 =  2.0E+01 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___52663_72_6 =  7.4E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_72_6 =  2.9E+00                                  ! [atm] type: V, ref: 850
Hvpx___52663_72_6 =  3.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_72_6 =  3.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_72_6 =  6.1E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___52663_72_6 =  6.8E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,3',4,4',5',6-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-168
! casrn:    59291-65-5
! inchikey: PITHIPNORFGJPI-UHFFFAOYSA-N
Hvpx___59291_65_5 =  5.2E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___59291_65_5 =  7.1E+00                                  ! [atm] type: V, ref: 850
Hvpx___59291_65_5 =  5.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___59291_65_5 =  4.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___59291_65_5 =  1.5E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___59291_65_5 =  2.6E+01                                  ! [atm] type: Q, ref: 1141

! species:  3,3',4,4',5,5'-hexachlorobiphenyl
! formula:  C_{12}H_4Cl_6
! trivial:  PCB-169
! casrn:    32774-16-6
! inchikey: ZHLICBPIXDOFFG-UHFFFAOYSA-N
Hvpx___32774_16_6 =  6.7E+00                                  ! [atm] type: M, ref: 2565
Hvpx___32774_16_6 =  1.2E+01 * EXP( -19000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___32774_16_6 =  1.4E+03 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___32774_16_6 =  8.6E-01                                  ! [atm] type: V, ref: 850
Hvpx___32774_16_6 =  2.4E+01 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___32774_16_6 =  1.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___32774_16_6 =  4.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___32774_16_6 =  3.6E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___32774_16_6 =  3.3E+00                                  ! [atm] type: Q, ref: 1141

! species:  2,2',3,3',4,4',5-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-170
! casrn:    35065-30-6
! inchikey: RMPWIIKNWPVWNG-UHFFFAOYSA-N
Hvpx___35065_30_6 =  1.1E+01 * EXP( -20000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___35065_30_6 =  5.0E-01                                  ! [atm] type: M, ref: 1194
Hvpx___35065_30_6 =  8.3E-01                                  ! [atm] type: M, ref: 853
Hvpx___35065_30_6 =  7.0E+01 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___35065_30_6 =  1.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___35065_30_6 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___35065_30_6 =  1.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___35065_30_6 =  3.7E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___35065_30_6 =  2.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___35065_30_6 =  1.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___35065_30_6 =  2.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___35065_30_6 =  1.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___35065_30_6 =  4.8E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___35065_30_6 =  5.0E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',4,4',6-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-171
! casrn:    52663-71-5
! inchikey: TZMHVHLTPWKZCI-UHFFFAOYSA-N
Hvpx___52663_71_5 =  1.9E+01                                  ! [atm] type: V, ref: 3586
Hvpx___52663_71_5 =  4.2E+01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_71_5 =  2.9E+00                                  ! [atm] type: V, ref: 2612
Hvpx___52663_71_5 =  2.9E+00                                  ! [atm] type: V, ref: 633
Hvpx___52663_71_5 =  2.9E+00                                  ! [atm] type: V, ref: 2302
Hvpx___52663_71_5 =  1.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_71_5 =  2.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52663_71_5 =  2.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___52663_71_5 =  1.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52663_71_5 =  3.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_71_5 =  1.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_71_5 =  9.6E+00                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,3',4,5,5'-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-172
! casrn:    52663-74-8
! inchikey: HOPMUCXYRNOABF-UHFFFAOYSA-N
Hvpx___52663_74_8 =  7.2E-01                                  ! [atm] type: M, ref: 1194
Hvpx___52663_74_8 =  6.6E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_74_8 =  1.7E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_74_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___52663_74_8 =  2.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52663_74_8 =  1.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52663_74_8 =  9.8E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_74_8 =  1.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_74_8 =  6.6E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___52663_74_8 =  7.2E-02                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',4,5,6-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-173
! casrn:    68194-16-1
! inchikey: PAYFWJAKKLILIT-UHFFFAOYSA-N
Hvpx___68194_16_1 =  7.7E-01                                  ! [atm] type: M, ref: 1194
Hvpx___68194_16_1 =  4.2E+02 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_16_1 =  1.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___68194_16_1 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___68194_16_1 =  2.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___68194_16_1 =  3.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___68194_16_1 =  1.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___68194_16_1 =  1.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_16_1 =  9.3E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_16_1 =  1.0E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_16_1 =  7.7E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',4,5,6'-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-174
! casrn:    38411-25-5
! inchikey: ZDLMBNHYTPHDLF-UHFFFAOYSA-N
Hvpx___38411_25_5 =  2.5E+01 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___38411_25_5 =  7.7E-01                                  ! [atm] type: M, ref: 1194
Hvpx___38411_25_5 =  2.7E+00                                  ! [atm] type: M, ref: 853
Hvpx___38411_25_5 =  1.0E+02 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___38411_25_5 =  4.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___38411_25_5 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___38411_25_5 =  2.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___38411_25_5 =  2.1E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___38411_25_5 =  1.7E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___38411_25_5 =  1.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38411_25_5 =  1.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___38411_25_5 =  9.4E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___38411_25_5 =  7.7E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',4,5',6-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-175
! casrn:    40186-70-7
! inchikey: KJBDZJFSYQUNJT-UHFFFAOYSA-N
Hvpx___40186_70_7 =  5.4E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___40186_70_7 =  2.7E+01                                  ! [atm] type: V, ref: 850
Hvpx___40186_70_7 =  1.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___40186_70_7 =  1.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___40186_70_7 =  1.2E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,3',4,6,6'-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-176
! casrn:    52663-65-7
! inchikey: HGMYRFJAJNYBRX-UHFFFAOYSA-N
Hvpx___52663_65_7 =  5.0E+00                                  ! [atm] type: M, ref: 853
Hvpx___52663_65_7 =  6.4E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_65_7 =  5.5E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_65_7 =  2.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_65_7 =  2.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_65_7 =  1.6E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,3',4,5',6'-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-177
! casrn:    52663-70-4
! inchikey: CXOYNJAHPUASHN-UHFFFAOYSA-N
Hvpx___52663_70_4 =  2.6E+01 * EXP( -13000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___52663_70_4 =  1.8E+00                                  ! [atm] type: M, ref: 853
Hvpx___52663_70_4 =  1.2E+02                                  ! [atm] type: M, ref: 3797
Hvpx___52663_70_4 =  1.6E+02 * EXP(  -6600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_70_4 =  1.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_70_4 =  2.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_70_4 =  1.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_70_4 =  9.0E+00                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,3',5,5',6-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-178
! casrn:    52663-67-9
! inchikey: WCIBKXHMIXUQHK-UHFFFAOYSA-N
Hvpx___52663_67_9 =  3.7E+01 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___52663_67_9 =  1.3E+00                                  ! [atm] type: M, ref: 1194
Hvpx___52663_67_9 =  3.6E+00                                  ! [atm] type: M, ref: 853
Hvpx___52663_67_9 =  5.3E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_67_9 =  2.4E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_67_9 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___52663_67_9 =  4.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52663_67_9 =  2.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___52663_67_9 =  1.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52663_67_9 =  1.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_67_9 =  9.8E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_67_9 =  1.2E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___52663_67_9 =  1.3E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',5,6,6'-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-179
! casrn:    52663-64-6
! inchikey: XYHVYEUZLSYHDP-UHFFFAOYSA-N
Hvpx___52663_64_6 =  1.3E+00                                  ! [atm] type: M, ref: 1194
Hvpx___52663_64_6 =  1.3E+02 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_64_6 =  4.9E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_64_6 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___52663_64_6 =  4.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52663_64_6 =  1.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___52663_64_6 =  1.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52663_64_6 =  2.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_64_6 =  1.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_64_6 =  1.5E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___52663_64_6 =  1.3E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4,4',5,5'-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-180
! casrn:    35065-29-3
! inchikey: WBHQEUPUMONIKF-UHFFFAOYSA-N
Hvpx___35065_29_3 =  3.2E+00 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___35065_29_3 =  4.4E+00 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___35065_29_3 =  2.0E+01 * EXP( -17000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___35065_29_3 =  5.5E-01                                  ! [atm] type: M, ref: 1194
Hvpx___35065_29_3 =  1.8E+00                                  ! [atm] type: M, ref: 853
Hvpx___35065_29_3 =  3.6E+01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___35065_29_3 =  1.7E+01                                  ! [atm] type: V, ref: 850
Hvpx___35065_29_3 =  2.2E+01 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___35065_29_3 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___35065_29_3 =  2.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___35065_29_3 =  3.8E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___35065_29_3 =  2.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___35065_29_3 =  1.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___35065_29_3 =  2.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___35065_29_3 =  1.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___35065_29_3 =  5.9E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___35065_29_3 =  5.5E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4,4',5,6-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-181
! casrn:    74472-47-2
! inchikey: DJEUXBQAKBLKPO-UHFFFAOYSA-N
Hvpx___74472_47_2 =  4.5E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_47_2 =  2.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_47_2 =  3.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_47_2 =  1.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_47_2 =  1.3E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,4,4',5,6'-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-182
! casrn:    60145-23-5
! inchikey: RXRLRYZUMSYVLS-UHFFFAOYSA-N
Hvpx___60145_23_5 =  3.3E+01 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___60145_23_5 =  3.3E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___60145_23_5 =  5.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___60145_23_5 =  3.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___60145_23_5 =  2.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___60145_23_5 =  1.4E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,4,4',5',6-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-183
! casrn:    52663-69-1
! inchikey: KQBFUDNJKCZEDQ-UHFFFAOYSA-N
Hvpx___52663_69_1 =  3.2E+01 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___52663_69_1 =  3.8E+00                                  ! [atm] type: M, ref: 853
Hvpx___52663_69_1 =  3.5E+01                                  ! [atm] type: M, ref: 3797
Hvpx___52663_69_1 =  2.3E+01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_69_1 =  2.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_69_1 =  3.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_69_1 =  2.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_69_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,4,4',6,6'-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-184
! casrn:    74472-48-3
! inchikey: OBIUJJSQKPGKME-UHFFFAOYSA-N
Hvpx___74472_48_3 =  6.8E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_48_3 =  6.9E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_48_3 =  5.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_48_3 =  4.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_48_3 =  2.5E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,4,5,5',6-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-185
! casrn:    52712-05-7
! inchikey: PYZHTHZEHQHHEN-UHFFFAOYSA-N
Hvpx___52712_05_7 =  8.9E-01                                  ! [atm] type: M, ref: 1194
Hvpx___52712_05_7 =  1.1E+02 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52712_05_7 =  2.5E+01                                  ! [atm] type: V, ref: 850
Hvpx___52712_05_7 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___52712_05_7 =  4.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52712_05_7 =  3.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___52712_05_7 =  1.6E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52712_05_7 =  1.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52712_05_7 =  1.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52712_05_7 =  1.2E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___52712_05_7 =  8.9E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4,5,6,6'-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-186
! casrn:    74472-49-4
! inchikey: FGDPOTMRBQHPJK-UHFFFAOYSA-N
Hvpx___74472_49_4 =  5.7E+02 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_49_4 =  4.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_49_4 =  3.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_49_4 =  1.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_49_4 =  2.0E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,4',5,5',6-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-187
! casrn:    52663-68-0
! inchikey: UDMZPLROONOSEF-UHFFFAOYSA-N
Hvpx___52663_68_0 =  3.4E+01 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___52663_68_0 =  4.5E+00                                  ! [atm] type: M, ref: 853
Hvpx___52663_68_0 =  4.1E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_68_0 =  2.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_68_0 =  2.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_68_0 =  1.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_68_0 =  1.1E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,4',5,6,6'-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-188
! casrn:    74487-85-7
! inchikey: MMTJWDQKGUNSDK-UHFFFAOYSA-N
Hvpx___74487_85_7 =  6.2E+01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___74487_85_7 =  1.1E+02 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74487_85_7 =  6.2E+01                                  ! [atm] type: V, ref: 850
Hvpx___74487_85_7 =  3.5E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___74487_85_7 =  4.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74487_85_7 =  2.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74487_85_7 =  2.5E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,3,3',4,4',5,5'-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-189
! casrn:    39635-31-9
! inchikey: XUAWBXBYHDRROL-UHFFFAOYSA-N
Hvpx___39635_31_9 =  6.5E+00                                  ! [atm] type: M, ref: 2565
Hvpx___39635_31_9 =  1.3E+02 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___39635_31_9 =  4.9E+00                                  ! [atm] type: V, ref: 850
Hvpx___39635_31_9 =  1.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___39635_31_9 =  1.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___39635_31_9 =  3.7E+00                                  ! [atm] type: Q, ref: 2475

! species:  2,3,3',4,4',5,6-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-190
! casrn:    41411-64-7
! inchikey: TYEDCFVCFDKSBK-UHFFFAOYSA-N
Hvpx___41411_64_7 =  3.7E+01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___41411_64_7 =  5.5E+00                                  ! [atm] type: V, ref: 850
Hvpx___41411_64_7 =  2.8E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41411_64_7 =  1.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___41411_64_7 =  6.2E+00                                  ! [atm] type: Q, ref: 2475

! species:  2,3,3',4,4',5',6-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-191
! casrn:    74472-50-7
! inchikey: TVFXBXWAXIMLAQ-UHFFFAOYSA-N
Hvpx___74472_50_7 =  2.6E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_50_7 =  9.5E+00                                  ! [atm] type: V, ref: 850
Hvpx___74472_50_7 =  2.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_50_7 =  1.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_50_7 =  7.4E+00                                  ! [atm] type: Q, ref: 2475

! species:  2,3,3',4,5,5',6-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-192
! casrn:    74472-51-8
! inchikey: ZUTDUGMNROUBOX-UHFFFAOYSA-N
Hvpx___74472_51_8 =  1.1E+02 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_51_8 =  9.0E+00                                  ! [atm] type: V, ref: 850
Hvpx___74472_51_8 =  1.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_51_8 =  1.1E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_51_8 =  1.1E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,3,3',4',5,5',6-heptachlorobiphenyl
! formula:  C_{12}H_3Cl_7
! trivial:  PCB-193
! casrn:    69782-91-8
! inchikey: SSTJUBQGYXNFFP-UHFFFAOYSA-N
Hvpx___69782_91_8 =  1.7E+01 * EXP( -17000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___69782_91_8 =  7.3E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___69782_91_8 =  5.3E+00                                  ! [atm] type: V, ref: 850
Hvpx___69782_91_8 =  1.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___69782_91_8 =  9.8E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___69782_91_8 =  7.4E+00                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,3',4,4',5,5'-octachlorobiphenyl
! formula:  C_{12}H_2Cl_8
! trivial:  PCB-194
! casrn:    35694-08-7
! inchikey: DTMRKGRREZAYAP-UHFFFAOYSA-N
Hvpx___35694_08_7 =  3.7E+00 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___35694_08_7 =  2.4E+00 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2540
Hvpx___35694_08_7 =  5.3E+00 * EXP( -20000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2472
Hvpx___35694_08_7 =  5.5E-01                                  ! [atm] type: M, ref: 1194
Hvpx___35694_08_7 =  6.8E+01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___35694_08_7 =  2.6E+01                                  ! [atm] type: V, ref: 850
Hvpx___35694_08_7 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___35694_08_7 =  1.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___35694_08_7 =  2.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___35694_08_7 =  1.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___35694_08_7 =  9.8E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___35694_08_7 =  7.6E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___35694_08_7 =  3.7E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___35694_08_7 =  5.5E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',4,4',5,6-octachlorobiphenyl
! formula:  C_{12}H_2Cl_8
! trivial:  PCB-195
! casrn:    52663-78-2
! inchikey: JAHJITLFJSDRCG-UHFFFAOYSA-N
Hvpx___52663_78_2 =  7.7E+00 * EXP( -20000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___52663_78_2 =  6.1E-01                                  ! [atm] type: M, ref: 1194
Hvpx___52663_78_2 =  7.7E+01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_78_2 =  7.0E+00                                  ! [atm] type: V, ref: 850
Hvpx___52663_78_2 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___52663_78_2 =  1.8E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52663_78_2 =  2.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___52663_78_2 =  1.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52663_78_2 =  1.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_78_2 =  5.5E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_78_2 =  6.6E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___52663_78_2 =  6.1E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',4,4',5,6'-octachlorobiphenyl
! formula:  C_{12}H_2Cl_8
! trivial:  PCB-196
! casrn:    42740-50-1
! inchikey: BQFCCUSDZLKBJG-UHFFFAOYSA-N
Hvpx___42740_50_1 =  5.5E-01                                  ! [atm] type: M, ref: 1194
Hvpx___42740_50_1 =  3.0E+01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___42740_50_1 =  3.9E+01                                  ! [atm] type: V, ref: 850
Hvpx___42740_50_1 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___42740_50_1 =  2.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___42740_50_1 =  2.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___42740_50_1 =  1.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___42740_50_1 =  1.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___42740_50_1 =  8.7E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___42740_50_1 =  7.2E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___42740_50_1 =  5.5E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',4,4',6,6'-octachlorobiphenyl
! formula:  C_{12}H_2Cl_8
! trivial:  PCB-197
! casrn:    33091-17-7
! inchikey: YPDBBDKYNWRFMF-UHFFFAOYSA-N
Hvpx___33091_17_7 =  4.3E+01 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___33091_17_7 =  5.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___33091_17_7 =  2.9E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___33091_17_7 =  1.3E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___33091_17_7 =  1.4E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,3',4,5,5',6-octachlorobiphenyl
! formula:  C_{12}H_2Cl_8
! trivial:  PCB-198
! casrn:    68194-17-2
! inchikey: PJHBSPRZHUOIAS-UHFFFAOYSA-N
Hvpx___68194_17_2 =  7.7E-01                                  ! [atm] type: M, ref: 1194
Hvpx___68194_17_2 =  1.6E+02 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___68194_17_2 =  1.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___68194_17_2 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___68194_17_2 =  3.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___68194_17_2 =  2.2E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___68194_17_2 =  1.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___68194_17_2 =  8.7E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_17_2 =  5.5E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___68194_17_2 =  8.5E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___68194_17_2 =  7.7E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',4,5,5',6'-octachlorobiphenyl
! formula:  C_{12}H_2Cl_8
! trivial:  PCB-199
! casrn:    52663-75-9
! inchikey: HJBYDWKNARZTMJ-UHFFFAOYSA-N
Hvpx___52663_75_9 =  5.5E-01                                  ! [atm] type: M, ref: 1194
Hvpx___52663_75_9 =  1.6E+02 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_75_9 =  2.3E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_75_9 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___52663_75_9 =  2.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___52663_75_9 =  2.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___52663_75_9 =  1.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___52663_75_9 =  8.7E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_75_9 =  6.0E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_75_9 =  1.3E+01                                  ! [atm] type: Q, ref: 2475
Hvpx___52663_75_9 =  5.5E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',4,5,6,6'-octachlorobiphenyl
! formula:  C_{12}H_2Cl_8
! trivial:  PCB-200
! casrn:    52663-73-7
! inchikey: HHXNVASVVVNNDG-UHFFFAOYSA-N
Hvpx___52663_73_7 =  7.2E+01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_73_7 =  3.7E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_73_7 =  1.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_73_7 =  7.1E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_73_7 =  1.3E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,3',4,5',6,6'-octachlorobiphenyl
! formula:  C_{12}H_2Cl_8
! trivial:  PCB-201
! casrn:    40186-71-8
! inchikey: LJQOBQLZTUSEJA-UHFFFAOYSA-N
Hvpx___40186_71_8 =  5.2E+01 * EXP( -17000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2340
Hvpx___40186_71_8 =  9.4E-01                                  ! [atm] type: M, ref: 1194
Hvpx___40186_71_8 =  4.7E+01 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___40186_71_8 =  3.5E+01                                  ! [atm] type: V, ref: 850
Hvpx___40186_71_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___40186_71_8 =  4.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___40186_71_8 =  4.2E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___40186_71_8 =  1.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx___40186_71_8 =  1.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx___40186_71_8 =  1.5E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___40186_71_8 =  4.9E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___40186_71_8 =  7.2E+00                                  ! [atm] type: Q, ref: 2475
Hvpx___40186_71_8 =  9.4E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,3',5,5',6,6'-octachlorobiphenyl
! formula:  C_{12}H_2Cl_8
! trivial:  PCB-202
! casrn:    2136-99-4
! inchikey: JPOPEORRMSDUIP-UHFFFAOYSA-N
Hvpx____2136_99_4 =  1.0E+00                                  ! [atm] type: M, ref: 1194
Hvpx____2136_99_4 =  1.1E+02 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx____2136_99_4 =  2.1E+01                                  ! [atm] type: V, ref: 2612
Hvpx____2136_99_4 =  2.1E+01                                  ! [atm] type: V, ref: 633
Hvpx____2136_99_4 =  2.0E+01                                  ! [atm] type: V, ref: 2302
Hvpx____2136_99_4 =  4.1E+01                                  ! [atm] type: V, ref: 850
Hvpx____2136_99_4 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx____2136_99_4 =  4.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____2136_99_4 =  1.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx____2136_99_4 =  9.9E-01                                  ! [atm] type: Q, ref: 2530
Hvpx____2136_99_4 =  1.0E+00                                  ! [atm] type: Q, ref: 2932
Hvpx____2136_99_4 =  3.8E-01                                  ! [atm] type: Q, ref: 2932
Hvpx____2136_99_4 =  1.2E+01                                  ! [atm] type: Q, ref: 2475
Hvpx____2136_99_4 =  1.0E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,2',3,4,4',5,5',6-octachlorobiphenyl
! formula:  C_{12}H_2Cl_8
! trivial:  PCB-203
! casrn:    52663-76-0
! inchikey: DCPDZFRGNJDWPP-UHFFFAOYSA-N
Hvpx___52663_76_0 =  1.7E+01 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_76_0 =  1.1E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_76_0 =  4.3E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___52663_76_0 =  1.7E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_76_0 =  7.1E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_76_0 =  7.8E+00                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,4,4',5,6,6'-octachlorobiphenyl
! formula:  C_{12}H_2Cl_8
! trivial:  PCB-204
! casrn:    74472-52-9
! inchikey: JDZUWXRNKHXZFE-UHFFFAOYSA-N
Hvpx___74472_52_9 =  5.1E+01 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_52_9 =  2.9E+01                                  ! [atm] type: V, ref: 850
Hvpx___74472_52_9 =  4.3E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___74472_52_9 =  3.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_52_9 =  1.2E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_52_9 =  1.9E+01                                  ! [atm] type: Q, ref: 2475

! species:  2,3,3',4,4',5,5',6-octachlorobiphenyl
! formula:  C_{12}H_2Cl_8
! trivial:  PCB-205
! casrn:    74472-53-0
! inchikey: VXXBCDUYUQKWCK-UHFFFAOYSA-N
Hvpx___74472_53_0 =  1.3E+02 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___74472_53_0 =  2.6E+00                                  ! [atm] type: V, ref: 850
Hvpx___74472_53_0 =  4.4E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___74472_53_0 =  1.4E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_53_0 =  6.0E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___74472_53_0 =  4.8E+00                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,3',4,4',5,5',6-nonachlorobiphenyl
! formula:  C_{12}HCl_9
! trivial:  PCB-206
! casrn:    40186-72-9
! inchikey: JFIMDKGRGPNPRQ-UHFFFAOYSA-N
Hvpx___40186_72_9 =  2.6E+02 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___40186_72_9 =  4.5E-01                                  ! [atm] type: V, ref: 2612
Hvpx___40186_72_9 =  4.5E+01                                  ! [atm] type: V, ref: 633
Hvpx___40186_72_9 =  1.5E+01                                  ! [atm] type: V, ref: 850
Hvpx___40186_72_9 =  5.0E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___40186_72_9 =  8.7E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___40186_72_9 =  2.7E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___40186_72_9 =  4.8E+00                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,3',4,4',5,6,6'-nonachlorobiphenyl
! formula:  C_{12}HCl_9
! trivial:  PCB-207
! casrn:    52663-79-3
! inchikey: YGDPIDTZOQGPAX-UHFFFAOYSA-N
Hvpx___52663_79_3 =  3.1E+02 * EXP(  -7500.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_79_3 =  2.0E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_79_3 =  5.0E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___52663_79_3 =  1.6E+00                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_79_3 =  3.8E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_79_3 =  9.4E+00                                  ! [atm] type: Q, ref: 2475

! species:  2,2',3,3',4,5,5',6,6'-nonachlorobiphenyl
! formula:  C_{12}HCl_9
! trivial:  PCB-208
! casrn:    52663-77-1
! inchikey: XIFFTDRFWYFAPO-UHFFFAOYSA-N
Hvpx___52663_77_1 =  1.8E+02 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx___52663_77_1 =  1.8E+01                                  ! [atm] type: V, ref: 850
Hvpx___52663_77_1 =  4.7E+01                                  ! [atm] type: Q, ref: 3424
Hvpx___52663_77_1 =  8.2E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_77_1 =  2.2E-01                                  ! [atm] type: Q, ref: 2932
Hvpx___52663_77_1 =  9.2E+00                                  ! [atm] type: Q, ref: 2475

! species:  decachlorobiphenyl
! formula:  C_{12}Cl_{10}
! trivial:  PCB-209
! casrn:    2051-24-3
! inchikey: ONXPZLFXDMAPRO-UHFFFAOYSA-N
Hvpx____2051_24_3 =  5.2E+02                                  ! [atm] type: V, ref: 3586
Hvpx____2051_24_3 =  8.2E+02 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: V, ref: 2563
Hvpx____2051_24_3 =  1.1E+01                                  ! [atm] type: V, ref: 633
Hvpx____2051_24_3 =  1.1E+01                                  ! [atm] type: V, ref: 2302
Hvpx____2051_24_3 =  6.8E+00                                  ! [atm] type: V, ref: 850
Hvpx____2051_24_3 =  2.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____2051_24_3 =  5.4E+01                                  ! [atm] type: Q, ref: 3424
Hvpx____2051_24_3 =  1.7E+00                                  ! [atm] type: Q, ref: 2521
Hvpx____2051_24_3 =  8.2E-01                                  ! [atm] type: Q, ref: 2932
Hvpx____2051_24_3 =  1.1E-01                                  ! [atm] type: Q, ref: 2932
Hvpx____2051_24_3 =  6.2E+00                                  ! [atm] type: Q, ref: 2475

! species:  phosgene
! formula:  CCl_2O
! trivial:  
! casrn:    75-44-5
! inchikey: YGYAWVDWMABLBF-UHFFFAOYSA-N
Hvpx______75_44_5 =  9.3E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 1125
Hvpx______75_44_5 =  8.1E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1992
Hvpx______75_44_5 =  7.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_44_5 =  1.0E+03                                  ! [atm] type: Q, ref: 3728
Hvpx______75_44_5 =  6.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______75_44_5 =  8.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______75_44_5 =  1.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_44_5 =  4.0E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_44_5 =  4.8E+03                                  ! [atm] type: Q, ref: 3409
Hvpx______75_44_5 =  8.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______75_44_5 =  9.2E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______75_44_5 =  7.7E+02                                  ! [atm] type: ?, ref: 2440

! species:  MCM:CCL3OOH
! formula:  CHO_2Cl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DUBMHDTUZCIGCY-UHFFFAOYSA-N
Hvpx_DUBMHDTUZCIGCY_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DUBMHDTUZCIGCY_UHFFFAOYSA_N =  1.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_DUBMHDTUZCIGCY_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH2CLOOH
! formula:  CH_3O_2Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: DUNYOPWYTOSXOC-UHFFFAOYSA-N
Hvpx_DUNYOPWYTOSXOC_UHFFFAOYSA_N =  3.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DUNYOPWYTOSXOC_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DUNYOPWYTOSXOC_UHFFFAOYSA_N =  3.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHCL2OOH
! formula:  CH_2O_2Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: TUIYYMKEIGYDJB-UHFFFAOYSA-N
Hvpx_TUIYYMKEIGYDJB_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_TUIYYMKEIGYDJB_UHFFFAOYSA_N =  4.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_TUIYYMKEIGYDJB_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CCL3OH
! formula:  CHOCl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: GYLIOGDFGLKMOL-UHFFFAOYSA-N
Hvpx_GYLIOGDFGLKMOL_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_GYLIOGDFGLKMOL_UHFFFAOYSA_N =  6.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_GYLIOGDFGLKMOL_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH2CLOH
! formula:  CH_3OCl
! trivial:  
! casrn:    UNKNOWN
! inchikey: BCUPGIHTCQJCSI-UHFFFAOYSA-N
Hvpx_BCUPGIHTCQJCSI_UHFFFAOYSA_N =  2.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_BCUPGIHTCQJCSI_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BCUPGIHTCQJCSI_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHCL2OH
! formula:  CH_2OCl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GJYVZUKSNFSLCL-UHFFFAOYSA-N
Hvpx_GJYVZUKSNFSLCL_UHFFFAOYSA_N =  8.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GJYVZUKSNFSLCL_UHFFFAOYSA_N =  4.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GJYVZUKSNFSLCL_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHOCL
! formula:  CHOCl
! trivial:  
! casrn:    UNKNOWN
! inchikey: GFAUNYMRSKVDJL-UHFFFAOYSA-N
Hvpx_GFAUNYMRSKVDJL_UHFFFAOYSA_N =  2.5E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_GFAUNYMRSKVDJL_UHFFFAOYSA_N =  2.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_GFAUNYMRSKVDJL_UHFFFAOYSA_N =  1.8E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CLCO2H
! formula:  CHO_2Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: AOGYCOYQMAVAFD-UHFFFAOYSA-N
Hvpx_AOGYCOYQMAVAFD_UHFFFAOYSA_N =  1.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AOGYCOYQMAVAFD_UHFFFAOYSA_N =  6.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_AOGYCOYQMAVAFD_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  dichloroacetaldehyde
! formula:  C_2H_2Cl_2O
! trivial:  
! casrn:    79-02-7
! inchikey: NWQWQKUXRJYXFH-UHFFFAOYSA-N
Hvpx______79_02_7 =  1.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______79_02_7 =  7.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______79_02_7 =  5.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______79_02_7 =  4.7E-01                                  ! [atm] type: Q, ref: 3088

! species:  chloroacetyl chloride
! formula:  C_2H_2Cl_2O
! trivial:  
! casrn:    79-04-9
! inchikey: VGCXGMAHQTYDJK-UHFFFAOYSA-N
Hvpx______79_04_9 =  1.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______79_04_9 =  4.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______79_04_9 =  1.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______79_04_9 =  1.3E+01                                  ! [atm] type: Q, ref: 3088

! species:  chloral hydrate
! formula:  C_2H_3Cl_3O_2
! trivial:  
! casrn:    302-17-0
! inchikey: RNFNDJAIBTYOQL-UHFFFAOYSA-N
Hvpx_____302_17_0 =  2.3E-04                                  ! [atm] type: V, ref: 3088

! species:  chloroacetaldehyde
! formula:  C_2H_3ClO
! trivial:  
! casrn:    107-20-0
! inchikey: QSKPIOLLBIHNAC-UHFFFAOYSA-N
Hvpx_____107_20_0 =  2.9E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_20_0 =  2.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_20_0 =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_20_0 =  1.3E+00                                  ! [atm] type: Q, ref: 3088

! species:  2-chloroethanol
! formula:  C_2H_5ClO
! trivial:  
! casrn:    107-07-3
! inchikey: SZIFAVKTNFCBPC-UHFFFAOYSA-N
Hvpx_____107_07_3 =  4.2E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____107_07_3 =  1.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_07_3 =  4.9E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_07_3 =  4.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_07_3 =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____107_07_3 =  5.8E-03                                  ! [atm] type: Q, ref: 3088
Hvpx_____107_07_3 =  2.0E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_07_3 =  3.9E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____107_07_3 =  3.2E-02                                  ! [atm] type: Q, ref: 3764

! species:  2,2-dichloroethanol
! formula:  C_2H_4Cl_2O
! trivial:  
! casrn:    598-38-9
! inchikey: IDJOCJAIQSKSOP-UHFFFAOYSA-N
Hvpx_____598_38_9 =  1.5E+00                                  ! [atm] type: L, ref: 3500
Hvpx_____598_38_9 =  1.5E+00                                  ! [atm] type: L, ref: 3245
Hvpx_____598_38_9 =  1.5E+00                                  ! [atm] type: M, ref: 3526
Hvpx_____598_38_9 =  1.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____598_38_9 =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____598_38_9 =  7.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  2-chloroethanol-d4
! formula:  ClC_2D_4OH
! trivial:  
! casrn:    117067-62-6
! inchikey: SZIFAVKTNFCBPC-LNLMKGTHSA-N
Hvpx__117067_62_6 =  1.1E-01 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  MCM:CCL2CL2OOH
! formula:  C_2H_2O_2Cl_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: SWNDCAXLXSSRFN-UHFFFAOYSA-N
Hvpx_SWNDCAXLXSSRFN_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SWNDCAXLXSSRFN_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_SWNDCAXLXSSRFN_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CCL3CH2OOH
! formula:  C_2H_3O_2Cl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RJIYMCLTECJZCN-UHFFFAOYSA-N
Hvpx_RJIYMCLTECJZCN_UHFFFAOYSA_N =  3.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RJIYMCLTECJZCN_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_RJIYMCLTECJZCN_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CCL3CO3H
! formula:  C_2HO_3Cl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: DRTNVNKYVPOWCY-UHFFFAOYSA-N
Hvpx_DRTNVNKYVPOWCY_UHFFFAOYSA_N =  2.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_DRTNVNKYVPOWCY_UHFFFAOYSA_N =  9.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_DRTNVNKYVPOWCY_UHFFFAOYSA_N =  4.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH2CL3OOH
! formula:  C_2H_3O_2Cl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CHVIFDTZRLKJET-UHFFFAOYSA-N
Hvpx_CHVIFDTZRLKJET_UHFFFAOYSA_N =  4.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CHVIFDTZRLKJET_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_CHVIFDTZRLKJET_UHFFFAOYSA_N =  4.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH2CLCOOH
! formula:  C_2H_5O_2Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: PIXGNJBYAUTOCI-UHFFFAOYSA-N
Hvpx_PIXGNJBYAUTOCI_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_PIXGNJBYAUTOCI_UHFFFAOYSA_N =  8.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PIXGNJBYAUTOCI_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3CCL2OOH
! formula:  C_2H_4O_2Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: YUVMNUKOYYKKNS-UHFFFAOYSA-N
Hvpx_YUVMNUKOYYKKNS_UHFFFAOYSA_N =  4.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YUVMNUKOYYKKNS_UHFFFAOYSA_N =  5.2E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_YUVMNUKOYYKKNS_UHFFFAOYSA_N =  6.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3CHCLOOH
! formula:  C_2H_5O_2Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: MCYQTMMYWIXRIL-UHFFFAOYSA-N
Hvpx_MCYQTMMYWIXRIL_UHFFFAOYSA_N =  2.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MCYQTMMYWIXRIL_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MCYQTMMYWIXRIL_UHFFFAOYSA_N =  9.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHCL2CO3H
! formula:  C_2H_2O_3Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VWNSYHZUZUFFDM-UHFFFAOYSA-N
Hvpx_VWNSYHZUZUFFDM_UHFFFAOYSA_N =  1.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VWNSYHZUZUFFDM_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_VWNSYHZUZUFFDM_UHFFFAOYSA_N =  6.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHCL2COOH
! formula:  C_2H_4O_2Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GJBKLBBJOKITMY-UHFFFAOYSA-N
Hvpx_GJBKLBBJOKITMY_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_GJBKLBBJOKITMY_UHFFFAOYSA_N =  5.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_GJBKLBBJOKITMY_UHFFFAOYSA_N =  2.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHCL3OOH
! formula:  C_2H_3O_2Cl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: AMASFZACKVPSTN-UHFFFAOYSA-N
Hvpx_AMASFZACKVPSTN_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AMASFZACKVPSTN_UHFFFAOYSA_N =  4.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_AMASFZACKVPSTN_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CLETO3H
! formula:  C_2H_3O_3Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: JSQPGNJFQUOEPA-UHFFFAOYSA-N
Hvpx_JSQPGNJFQUOEPA_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JSQPGNJFQUOEPA_UHFFFAOYSA_N =  9.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_JSQPGNJFQUOEPA_UHFFFAOYSA_N =  4.0E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DICLETO2H
! formula:  C_2H_4O_2Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: UPXDMONURWDHKL-UHFFFAOYSA-N
Hvpx_UPXDMONURWDHKL_UHFFFAOYSA_N =  4.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UPXDMONURWDHKL_UHFFFAOYSA_N =  7.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_UPXDMONURWDHKL_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C2CL2OH2
! formula:  C_2H_4O_2Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: HHQQTVXFKGIICR-UHFFFAOYSA-N
Hvpx_HHQQTVXFKGIICR_UHFFFAOYSA_N =  4.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_HHQQTVXFKGIICR_UHFFFAOYSA_N =  4.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HHQQTVXFKGIICR_UHFFFAOYSA_N =  4.4E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C2CL2OHOOH
! formula:  C_2H_4O_3Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: NCBKAYIJWMIXBU-UHFFFAOYSA-N
Hvpx_NCBKAYIJWMIXBU_UHFFFAOYSA_N =  1.9E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_NCBKAYIJWMIXBU_UHFFFAOYSA_N =  3.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_NCBKAYIJWMIXBU_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C2CL32OH
! formula:  C_2H_3O_2Cl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: MYDJEUINZIFHKK-UHFFFAOYSA-N
Hvpx_MYDJEUINZIFHKK_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MYDJEUINZIFHKK_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_MYDJEUINZIFHKK_UHFFFAOYSA_N =  2.0E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C2CL3HOOOH
! formula:  C_2H_3O_3Cl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: KHLAQOPQQHOMKQ-UHFFFAOYSA-N
Hvpx_KHLAQOPQQHOMKQ_UHFFFAOYSA_N =  1.8E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_KHLAQOPQQHOMKQ_UHFFFAOYSA_N =  5.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_KHLAQOPQQHOMKQ_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:C2CL3OHOOH
! formula:  C_2H_3O_3Cl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CEKNFZNLLTXCLL-UHFFFAOYSA-N
Hvpx_CEKNFZNLLTXCLL_UHFFFAOYSA_N =  2.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_CEKNFZNLLTXCLL_UHFFFAOYSA_N =  4.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_CEKNFZNLLTXCLL_UHFFFAOYSA_N =  5.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  trichloroethanol
! formula:  C_2H_3OCl_3
! trivial:  
! casrn:    115-20-8
! inchikey: KPWDGTGXUYRARH-UHFFFAOYSA-N
Hvpx_____115_20_8 =  3.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_20_8 =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_____115_20_8 =  1.7E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CCLOHCOOH
! formula:  C_2H_5O_3Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: MIFGQALJBIDZDW-UHFFFAOYSA-N
Hvpx_MIFGQALJBIDZDW_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MIFGQALJBIDZDW_UHFFFAOYSA_N =  5.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_MIFGQALJBIDZDW_UHFFFAOYSA_N =  5.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH2CL3OH
! formula:  C_2H_3OCl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: HYCHPIPDVAXCCJ-UHFFFAOYSA-N
Hvpx_HYCHPIPDVAXCCJ_UHFFFAOYSA_N =  1.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HYCHPIPDVAXCCJ_UHFFFAOYSA_N =  4.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_HYCHPIPDVAXCCJ_UHFFFAOYSA_N =  3.6E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH2OHCCLOH
! formula:  C_2H_5O_2Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: VVKFXODVPQSIHU-UHFFFAOYSA-N
Hvpx_VVKFXODVPQSIHU_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VVKFXODVPQSIHU_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VVKFXODVPQSIHU_UHFFFAOYSA_N =  5.8E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3CCL2OH
! formula:  C_2H_4OCl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: DNBABSPIEDTPHK-UHFFFAOYSA-N
Hvpx_DNBABSPIEDTPHK_UHFFFAOYSA_N =  3.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_DNBABSPIEDTPHK_UHFFFAOYSA_N =  2.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_DNBABSPIEDTPHK_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3CHCLOH
! formula:  C_2H_5OCl
! trivial:  
! casrn:    UNKNOWN
! inchikey: KJESGYZFVCIMDE-UHFFFAOYSA-N
Hvpx_KJESGYZFVCIMDE_UHFFFAOYSA_N =  3.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_KJESGYZFVCIMDE_UHFFFAOYSA_N =  6.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_KJESGYZFVCIMDE_UHFFFAOYSA_N =  1.2E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHCL2CL2OH
! formula:  C_2H_2OCl_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: LQINPQOSBLVJBS-UHFFFAOYSA-N
Hvpx_LQINPQOSBLVJBS_UHFFFAOYSA_N =  4.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LQINPQOSBLVJBS_UHFFFAOYSA_N =  2.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LQINPQOSBLVJBS_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHCL3OH
! formula:  C_2H_3OCl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: NIBKDWIGIKUFKL-UHFFFAOYSA-N
Hvpx_NIBKDWIGIKUFKL_UHFFFAOYSA_N =  6.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NIBKDWIGIKUFKL_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NIBKDWIGIKUFKL_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CL2OHCH2OH
! formula:  C_2H_4O_2Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZOZPDNLNQWCVSW-UHFFFAOYSA-N
Hvpx_ZOZPDNLNQWCVSW_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZOZPDNLNQWCVSW_UHFFFAOYSA_N =  3.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZOZPDNLNQWCVSW_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CL2OHCO3H
! formula:  C_2H_2O_4Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MACSTFWYVGNISK-UHFFFAOYSA-N
Hvpx_MACSTFWYVGNISK_UHFFFAOYSA_N =  5.8E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_MACSTFWYVGNISK_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_MACSTFWYVGNISK_UHFFFAOYSA_N =  9.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CL2OHOOH
! formula:  C_2H_4O_3Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: WOJAYLCSWSBEJV-UHFFFAOYSA-N
Hvpx_WOJAYLCSWSBEJV_UHFFFAOYSA_N =  3.2E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WOJAYLCSWSBEJV_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WOJAYLCSWSBEJV_UHFFFAOYSA_N =  1.3E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CLOHCO3H
! formula:  C_2H_3O_4Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: IODLIDNNOHQSDW-UHFFFAOYSA-N
Hvpx_IODLIDNNOHQSDW_UHFFFAOYSA_N =  5.3E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_IODLIDNNOHQSDW_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IODLIDNNOHQSDW_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:COHCCLOOH
! formula:  C_2H_5O_3Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: WXPZQCJQULOKCY-UHFFFAOYSA-N
Hvpx_WXPZQCJQULOKCY_UHFFFAOYSA_N =  4.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_WXPZQCJQULOKCY_UHFFFAOYSA_N =  1.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_WXPZQCJQULOKCY_UHFFFAOYSA_N =  1.2E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DICLETOH
! formula:  C_2H_4OCl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: QXBDFCZHAAOUBY-UHFFFAOYSA-N
Hvpx_QXBDFCZHAAOUBY_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_QXBDFCZHAAOUBY_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_QXBDFCZHAAOUBY_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TCE2OH
! formula:  C_2H_2O_2Cl_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BVBMRJKFECUARX-UHFFFAOYSA-N
Hvpx_BVBMRJKFECUARX_UHFFFAOYSA_N =  1.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BVBMRJKFECUARX_UHFFFAOYSA_N =  2.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_BVBMRJKFECUARX_UHFFFAOYSA_N =  1.3E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:TCEOHOOH
! formula:  C_2H_2O_3Cl_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: YKIXQGIQZGTABG-UHFFFAOYSA-N
Hvpx_YKIXQGIQZGTABG_UHFFFAOYSA_N =  1.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_YKIXQGIQZGTABG_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YKIXQGIQZGTABG_UHFFFAOYSA_N =  4.0E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CCLOHCHO
! formula:  C_2H_3O_2Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: RYRGLFUQPWFXSD-UHFFFAOYSA-N
Hvpx_RYRGLFUQPWFXSD_UHFFFAOYSA_N =  6.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RYRGLFUQPWFXSD_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RYRGLFUQPWFXSD_UHFFFAOYSA_N =  1.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CL2OHCHO
! formula:  C_2H_2O_2Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: LCOUNIIIIIWZOM-UHFFFAOYSA-N
Hvpx_LCOUNIIIIIWZOM_UHFFFAOYSA_N =  7.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LCOUNIIIIIWZOM_UHFFFAOYSA_N =  5.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_LCOUNIIIIIWZOM_UHFFFAOYSA_N =  9.1E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3COCL
! formula:  C_2H_3OCl
! trivial:  
! casrn:    UNKNOWN
! inchikey: WETWJCDKMRHUPV-UHFFFAOYSA-N
Hvpx_WETWJCDKMRHUPV_UHFFFAOYSA_N =  3.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_WETWJCDKMRHUPV_UHFFFAOYSA_N =  2.1E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_WETWJCDKMRHUPV_UHFFFAOYSA_N =  6.3E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHCL2COCL
! formula:  C_2HOCl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FBCCMZVIWNDFMO-UHFFFAOYSA-N
Hvpx_FBCCMZVIWNDFMO_UHFFFAOYSA_N =  8.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_FBCCMZVIWNDFMO_UHFFFAOYSA_N =  8.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_FBCCMZVIWNDFMO_UHFFFAOYSA_N =  1.5E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CLCOCH2OOH
! formula:  C_2H_3O_3Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: ARKKUYXZQNWAAF-UHFFFAOYSA-N
Hvpx_ARKKUYXZQNWAAF_UHFFFAOYSA_N =  5.1E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ARKKUYXZQNWAAF_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ARKKUYXZQNWAAF_UHFFFAOYSA_N =  6.9E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CLCOCL2OOH
! formula:  C_2HO_3Cl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: FXUYMCPKRPYDCU-UHFFFAOYSA-N
Hvpx_FXUYMCPKRPYDCU_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_FXUYMCPKRPYDCU_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FXUYMCPKRPYDCU_UHFFFAOYSA_N =  2.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CLCOCLOOH
! formula:  C_2H_2O_3Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: WROSSTYSMNZXTC-UHFFFAOYSA-N
Hvpx_WROSSTYSMNZXTC_UHFFFAOYSA_N =  2.2E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_WROSSTYSMNZXTC_UHFFFAOYSA_N =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WROSSTYSMNZXTC_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CLGLYOX
! formula:  C_2O_2Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CTSLXHKWHWQRSH-UHFFFAOYSA-N
Hvpx_CTSLXHKWHWQRSH_UHFFFAOYSA_N =  2.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_CTSLXHKWHWQRSH_UHFFFAOYSA_N =  4.1E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_CTSLXHKWHWQRSH_UHFFFAOYSA_N =  1.5E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CCL2OHCOCL
! formula:  C_2HO_2Cl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WBBOIYQGQVKNEO-UHFFFAOYSA-N
Hvpx_WBBOIYQGQVKNEO_UHFFFAOYSA_N =  4.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WBBOIYQGQVKNEO_UHFFFAOYSA_N =  4.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_WBBOIYQGQVKNEO_UHFFFAOYSA_N =  3.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CCLOHCOCL
! formula:  C_2H_2O_2Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: NABBVDLPPITPRF-UHFFFAOYSA-N
Hvpx_NABBVDLPPITPRF_UHFFFAOYSA_N =  3.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NABBVDLPPITPRF_UHFFFAOYSA_N =  9.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_NABBVDLPPITPRF_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH2OHCOCL
! formula:  C_2H_3O_2Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: LCIMJULVQOQTEZ-UHFFFAOYSA-N
Hvpx_LCIMJULVQOQTEZ_UHFFFAOYSA_N =  2.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LCIMJULVQOQTEZ_UHFFFAOYSA_N =  4.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LCIMJULVQOQTEZ_UHFFFAOYSA_N =  1.3E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CL1GLYOX
! formula:  C_2HO_2Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZNBGBHISQKMEPA-UHFFFAOYSA-N
Hvpx_ZNBGBHISQKMEPA_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZNBGBHISQKMEPA_UHFFFAOYSA_N =  3.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_ZNBGBHISQKMEPA_UHFFFAOYSA_N =  1.3E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CLOHCO2H
! formula:  C_2H_3O_3Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: SORBEIKZIPTJRS-UHFFFAOYSA-N
Hvpx_SORBEIKZIPTJRS_UHFFFAOYSA_N =  6.4E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_SORBEIKZIPTJRS_UHFFFAOYSA_N =  1.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_SORBEIKZIPTJRS_UHFFFAOYSA_N =  3.8E-06                                  ! [atm] type: Q, ref: 3409

! species:  1,1,1-trichloro-2-propanone
! formula:  C_3H_3Cl_3O
! trivial:  
! casrn:    918-00-3
! inchikey: SMZHKGXSEAGRTI-UHFFFAOYSA-N
Hvpx_____918_00_3 =  1.2E-01                                  ! [atm] type: Q, ref: 3088

! species:  1,1-dichloro-2-propanone
! formula:  C_3H_4Cl_2O
! trivial:  1,1-dichloroacetone
! casrn:    513-88-2
! inchikey: CSVFWMMPUJDVKH-UHFFFAOYSA-N
Hvpx_____513_88_2 =  1.7E+00                                  ! [atm] type: L, ref: 3500
Hvpx_____513_88_2 =  1.7E+00                                  ! [atm] type: L, ref: 3245
Hvpx_____513_88_2 =  1.7E+00                                  ! [atm] type: M, ref: 3526
Hvpx_____513_88_2 =  3.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  carbonochloridic acid, 2-chloroethyl ester
! formula:  C_3H_4Cl_2O_2
! trivial:  chloroethyl chloroformate
! casrn:    627-11-2
! inchikey: SVDDJQGVOFZBNX-UHFFFAOYSA-N
Hvpx_____627_11_2 =  6.1E+01                                  ! [atm] type: Q, ref: 3088

! species:  carbonochloridic acid, ethyl ester
! formula:  C_3H_5ClO_2
! trivial:  ethyl chloroformate
! casrn:    541-41-3
! inchikey: RIFGWPKJUGCATF-UHFFFAOYSA-N
Hvpx_____541_41_3 =  1.7E+02                                  ! [atm] type: Q, ref: 3088

! species:  2-chloropropanoic acid
! formula:  C_3H_5ClO_2
! trivial:  
! casrn:    598-78-7
! inchikey: GAWAYYRQGQZKCR-UHFFFAOYSA-N
Hvpx_____598_78_7 =  1.4E-02                                  ! [atm] type: Q, ref: 3088

! species:  2,3-dichloro-1-propanol
! formula:  C_3H_6Cl_2O
! trivial:  
! casrn:    616-23-9
! inchikey: ZXCYIJGIGSDJQQ-UHFFFAOYSA-N
Hvpx_____616_23_9 =  7.0E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____616_23_9 =  7.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_____616_23_9 =  4.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_____616_23_9 =  1.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  1,3-dichloro-2-propanol
! formula:  C_3H_6Cl_2O
! trivial:  
! casrn:    96-23-1
! inchikey: DEWLEGDTCGBNGU-UHFFFAOYSA-N
Hvpx______96_23_1 =  9.5E-02                                  ! [atm] type: V, ref: 1145
Hvpx______96_23_1 =  3.3E-02                                  ! [atm] type: Q, ref: 3088
Hvpx______96_23_1 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______96_23_1 =  1.1E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______96_23_1 =  3.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______96_23_1 =  2.1E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______96_23_1 =  1.8E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______96_23_1 =  3.3E-02                                  ! [atm] type: Q, ref: 1145

! species:  3-chloro-1,2-propanediol
! formula:  C_3H_7ClO_2
! trivial:  
! casrn:    96-24-2
! inchikey: SSZWWUDQMAHNAQ-UHFFFAOYSA-N
Hvpx______96_24_2 =  3.4E-03                                  ! [atm] type: Q, ref: 3088

! species:  1-chloro-2-propanol
! formula:  C_3H_7ClO
! trivial:  
! casrn:    127-00-4
! inchikey: YYTSGNJTASLUOY-UHFFFAOYSA-N
Hvpx_____127_00_4 =  9.4E-02                                  ! [atm] type: Q, ref: 3088

! species:  2-chloro-1-propanol
! formula:  C_3H_7ClO
! trivial:  
! casrn:    78-89-7
! inchikey: VZIQXGLTRZLBEX-UHFFFAOYSA-N
Hvpx______78_89_7 =  9.4E-02                                  ! [atm] type: Q, ref: 3088

! species:  3-chloro-1-propanol
! formula:  C_3H_7ClO
! trivial:  
! casrn:    627-30-5
! inchikey: LAMUXTNQCICZQX-UHFFFAOYSA-N
Hvpx_____627_30_5 =  4.2E-02                                  ! [atm] type: ?, ref: 3766

! species:  trichloroethanal
! formula:  CCl_3CHO
! trivial:  trichloroacetaldehyde; chloral
! casrn:    75-87-6
! inchikey: HFFLGKNGCAIQMO-UHFFFAOYSA-N
Hvpx______75_87_6 =  1.6E-04 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_87_6 =  1.6E-04 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_87_6 =  1.6E-04 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 484
Hvpx______75_87_6 =  2.4E-04                                  ! [atm] type: Q, ref: 3730
Hvpx______75_87_6 =  4.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______75_87_6 =  2.6E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______75_87_6 =  3.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_87_6 =  1.7E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______75_87_6 =  4.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______75_87_6 =  1.8E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_87_6 =  1.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______75_87_6 =  3.2E-04                                  ! [atm] type: Q, ref: 1145
Hvpx______75_87_6 =  1.6E-04                                  ! [atm] type: ?, ref: 3586

! species:  chloro-2-propanone
! formula:  CH_2ClCOCH_3
! trivial:  chloroacetone
! casrn:    78-95-5
! inchikey: BULLHNJGPPOUOX-UHFFFAOYSA-N
Hvpx______78_95_5 =  9.4E-01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______78_95_5 =  9.4E-01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______78_95_5 =  9.4E-01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______78_95_5 =  9.4E-01 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 495
Hvpx______78_95_5 =  4.5E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______78_95_5 =  6.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______78_95_5 =  4.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx______78_95_5 =  2.7E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______78_95_5 =  4.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______78_95_5 =  3.5E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______78_95_5 =  4.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______78_95_5 =  8.8E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______78_95_5 =  6.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______78_95_5 =  8.0E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______78_95_5 =  9.1E-01                                  ! [atm] type: ?, ref: 3586

! species:  chloroethanoic acid
! formula:  CH_2ClCOOH
! trivial:  chloroacetic acid
! casrn:    79-11-8
! inchikey: FOCAUTSVDIKZOP-UHFFFAOYSA-N
Hvpx______79_11_8 =  5.0E-04 * EXP(  -9700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_11_8 =  5.0E-04 * EXP(  -9700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______79_11_8 =  5.0E-04 * EXP(  -9700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______79_11_8 =  5.1E-04 * EXP(  -9700.*(1./T-1./298.15)) ! [atm] type: M, ref: 896
Hvpx______79_11_8 =  5.0E-04                                  ! [atm] type: Q, ref: 3730
Hvpx______79_11_8 =  4.1E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______79_11_8 =  2.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______79_11_8 =  1.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx______79_11_8 =  4.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx______79_11_8 =  4.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______79_11_8 =  3.5E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______79_11_8 =  1.1E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______79_11_8 =  6.2E-04                                  ! [atm] type: Q, ref: 2521
Hvpx______79_11_8 =  1.8E-03                                  ! [atm] type: Q, ref: 2530
Hvpx______79_11_8 =  5.1E-04                                  ! [atm] type: ?, ref: 3586

! species:  dichloroethanoic acid
! formula:  CHCl_2COOH
! trivial:  dichloroacetic acid
! casrn:    79-43-6
! inchikey: JXTHNDFMNIQAHM-UHFFFAOYSA-N
Hvpx______79_43_6 =  4.6E-04 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_43_6 =  4.6E-04 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______79_43_6 =  4.6E-04 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______79_43_6 =  4.7E-04 * EXP(  -8000.*(1./T-1./298.15)) ! [atm] type: M, ref: 896
Hvpx______79_43_6 =  9.8E-04                                  ! [atm] type: Q, ref: 3730
Hvpx______79_43_6 =  1.4E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______79_43_6 =  8.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx______79_43_6 =  3.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx______79_43_6 =  1.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______79_43_6 =  2.2E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______79_43_6 =  8.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______79_43_6 =  3.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______79_43_6 =  1.4E-03                                  ! [atm] type: Q, ref: 2521
Hvpx______79_43_6 =  6.4E-04                                  ! [atm] type: Q, ref: 2530
Hvpx______79_43_6 =  2.1E-02                                  ! [atm] type: Q, ref: 3764
Hvpx______79_43_6 =  4.6E-04                                  ! [atm] type: ?, ref: 3586

! species:  trichloroethanoic acid
! formula:  CCl_3COOH
! trivial:  trichloroacetic acid
! casrn:    76-03-9
! inchikey: YNJBWRMUSHSURL-UHFFFAOYSA-N
Hvpx______76_03_9 =  7.5E-04 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______76_03_9 =  7.5E-04 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______76_03_9 =  7.5E-04 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______76_03_9 =  7.5E-04 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: M, ref: 992
Hvpx______76_03_9 =  9.8E-04                                  ! [atm] type: Q, ref: 3730
Hvpx______76_03_9 =  2.4E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______76_03_9 =  5.5E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______76_03_9 =  1.4E-01                                  ! [atm] type: Q, ref: 2546
Hvpx______76_03_9 =  1.4E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______76_03_9 =  1.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______76_03_9 =  7.2E-04                                  ! [atm] type: Q, ref: 2530
Hvpx______76_03_9 =  7.5E-04                                  ! [atm] type: ?, ref: 3586

! species:  2,2-dichloro-propanoic acid
! formula:  C_3H_4Cl_2O_2
! trivial:  
! casrn:    75-99-0
! inchikey: NDUPDOJHUQKPAG-UHFFFAOYSA-N
Hvpx______75_99_0 =  3.1E-03                                  ! [atm] type: V, ref: 3586
Hvpx______75_99_0 =  1.6E-09                                  ! [atm] type: V, ref: 2614
Hvpx______75_99_0 =  3.1E-03                                  ! [atm] type: Q, ref: 3586

! species:  trichloroacetylchloride
! formula:  CCl_3COCl
! trivial:  
! casrn:    76-02-8
! inchikey: PVFOMCVHYWHZJE-UHFFFAOYSA-N
Hvpx______76_02_8 =  2.8E+01                                  ! [atm] type: M, ref: 671
Hvpx______76_02_8 =  2.8E+01                                  ! [atm] type: M, ref: 1125
Hvpx______76_02_8 =  2.8E+01                                  ! [atm] type: M, ref: 1126
Hvpx______76_02_8 =  4.6E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______76_02_8 =  7.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______76_02_8 =  1.6E+00                                  ! [atm] type: Q, ref: 3088
Hvpx______76_02_8 =  2.8E+01                                  ! [atm] type: ?, ref: 3586

! species:  hexachloroacetone
! formula:  C_3Cl_6O
! trivial:  
! casrn:    116-16-5
! inchikey: DOJXGHGHTWFZHK-UHFFFAOYSA-N
Hvpx_____116_16_5 =  5.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____116_16_5 =  6.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____116_16_5 =  8.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____116_16_5 =  3.0E+00                                  ! [atm] type: Q, ref: 2995

! species:  (chloromethyl)-oxirane
! formula:  C_3H_5ClO
! trivial:  epichlorohydrin
! casrn:    106-89-8
! inchikey: BRLQWZUYTZBJKN-UHFFFAOYSA-N
Hvpx_____106_89_8 =  1.9E+00                                  ! [atm] type: M, ref: 3646
Hvpx_____106_89_8 =  1.7E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____106_89_8 =  1.7E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____106_89_8 =  1.8E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____106_89_8 =  1.8E+00                                  ! [atm] type: V, ref: 635
Hvpx_____106_89_8 =  2.0E+00                                  ! [atm] type: X, ref: usepa82
Hvpx_____106_89_8 =  1.9E+00 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____106_89_8 =  4.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_89_8 =  5.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_89_8 =  3.2E+00                                  ! [atm] type: Q, ref: 2530

! species:  methyl chloroethanoate
! formula:  C_3H_5ClO_2
! trivial:  
! casrn:    96-34-4
! inchikey: QABLOFMHHSOFRJ-UHFFFAOYSA-N
Hvpx______96_34_4 =  1.1E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______96_34_4 =  1.3E+00                                  ! [atm] type: V, ref: 3586
Hvpx______96_34_4 =  1.3E+01                                  ! [atm] type: V, ref: 3088
Hvpx______96_34_4 =  1.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______96_34_4 =  2.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______96_34_4 =  4.5E+00                                  ! [atm] type: Q, ref: 2530

! species:  MCM:CL12CO3H
! formula:  C_3H_4O_3Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: VMJCNPRTZBGZGF-UHFFFAOYSA-N
Hvpx_VMJCNPRTZBGZGF_UHFFFAOYSA_N =  3.5E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_VMJCNPRTZBGZGF_UHFFFAOYSA_N =  5.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_VMJCNPRTZBGZGF_UHFFFAOYSA_N =  2.4E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CL12PRAOOH
! formula:  C_3H_6O_2Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: WGVINOMLJVZPKZ-UHFFFAOYSA-N
Hvpx_WGVINOMLJVZPKZ_UHFFFAOYSA_N =  5.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WGVINOMLJVZPKZ_UHFFFAOYSA_N =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WGVINOMLJVZPKZ_UHFFFAOYSA_N =  3.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CL12PRBOOH
! formula:  C_3H_6O_2Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: OMIMXWULHYQJIC-UHFFFAOYSA-N
Hvpx_OMIMXWULHYQJIC_UHFFFAOYSA_N =  7.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OMIMXWULHYQJIC_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OMIMXWULHYQJIC_UHFFFAOYSA_N =  5.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CL12PRCOOH
! formula:  C_3H_6O_2Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ULSSYZYIMOSSQB-UHFFFAOYSA-N
Hvpx_ULSSYZYIMOSSQB_UHFFFAOYSA_N =  4.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ULSSYZYIMOSSQB_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ULSSYZYIMOSSQB_UHFFFAOYSA_N =  1.4E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CL12PRBOH
! formula:  C_3H_6OCl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: QEZDCTNHTRSNMD-UHFFFAOYSA-N
Hvpx_QEZDCTNHTRSNMD_UHFFFAOYSA_N =  3.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_QEZDCTNHTRSNMD_UHFFFAOYSA_N =  3.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_QEZDCTNHTRSNMD_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CL12PRCOH
! formula:  C_3H_6OCl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: FLTSEOGWHPJWRV-UHFFFAOYSA-N
Hvpx_FLTSEOGWHPJWRV_UHFFFAOYSA_N =  2.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FLTSEOGWHPJWRV_UHFFFAOYSA_N =  3.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_FLTSEOGWHPJWRV_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CL12PRCHO
! formula:  C_3H_4OCl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: IZRKUJREXIKAQM-UHFFFAOYSA-N
Hvpx_IZRKUJREXIKAQM_UHFFFAOYSA_N =  4.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_IZRKUJREXIKAQM_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_IZRKUJREXIKAQM_UHFFFAOYSA_N =  9.9E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3CLCOCL
! formula:  C_3H_4OCl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JEQDSBVHLKBEIZ-UHFFFAOYSA-N
Hvpx_JEQDSBVHLKBEIZ_UHFFFAOYSA_N =  2.0E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_JEQDSBVHLKBEIZ_UHFFFAOYSA_N =  1.4E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_JEQDSBVHLKBEIZ_UHFFFAOYSA_N =  4.9E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3COCLOOH
! formula:  C_3H_5O_3Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: HLLYIZVQRAGDFF-UHFFFAOYSA-N
Hvpx_HLLYIZVQRAGDFF_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_HLLYIZVQRAGDFF_UHFFFAOYSA_N =  1.6E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_HLLYIZVQRAGDFF_UHFFFAOYSA_N =  5.2E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CLCOCLMOOH
! formula:  C_3H_4O_3Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: RUPGTCZALLJKQM-UHFFFAOYSA-N
Hvpx_RUPGTCZALLJKQM_UHFFFAOYSA_N =  4.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_RUPGTCZALLJKQM_UHFFFAOYSA_N =  9.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RUPGTCZALLJKQM_UHFFFAOYSA_N =  4.2E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CL12CO2H
! formula:  C_3H_4O_2Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GKFWNPPZHDYVLI-UHFFFAOYSA-N
Hvpx_GKFWNPPZHDYVLI_UHFFFAOYSA_N =  4.2E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GKFWNPPZHDYVLI_UHFFFAOYSA_N =  1.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GKFWNPPZHDYVLI_UHFFFAOYSA_N =  6.7E-04                                  ! [atm] type: Q, ref: 3409

! species:  3-chloro-2-butanone
! formula:  C_4H_7ClO
! trivial:  
! casrn:    4091-39-8
! inchikey: OIMRLHCSLQUXLL-UHFFFAOYSA-N
Hvpx____4091_39_8 =  5.8E+00                                  ! [atm] type: ?, ref: 3766

! species:  ethyl chloroethanoate
! formula:  C_4H_7ClO_2
! trivial:  
! casrn:    105-39-5
! inchikey: VEUUMBGHMNQHGO-UHFFFAOYSA-N
Hvpx_____105_39_5 =  2.1E+00 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____105_39_5 =  2.2E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____105_39_5 =  3.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____105_39_5 =  4.5E+00                                  ! [atm] type: Q, ref: 3088
Hvpx_____105_39_5 =  4.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____105_39_5 =  4.8E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____105_39_5 =  2.3E+00                                  ! [atm] type: ?, ref: 3393

! species:  carbonochloridic acid, 1-methylethyl ester
! formula:  C_4H_7ClO_2
! trivial:  
! casrn:    108-23-6
! inchikey: IVRIRQXJSNCSPQ-UHFFFAOYSA-N
Hvpx_____108_23_6 =  2.3E+02                                  ! [atm] type: Q, ref: 3088

! species:  chloroacetic acid anhydride
! formula:  C_4H_4Cl_2O_3
! trivial:  
! casrn:    541-88-8
! inchikey: PNVPNXKRAUBJGW-UHFFFAOYSA-N
Hvpx_____541_88_8 =  2.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  chlorobutanol
! formula:  C_4H_9ClO
! trivial:  
! casrn:    1320-66-7
! inchikey: OSASVXMJTNOKOY-UHFFFAOYSA-N
Hvpx____1320_66_7 =  1.2E-01                                  ! [atm] type: Q, ref: 3088

! species:  methyl 2-chloroacetoacetate
! formula:  C_5H_7ClO_3
! trivial:  
! casrn:    4755-81-1
! inchikey: GYQRIAVRKLRQKP-UHFFFAOYSA-N
Hvpx____4755_81_1 =  2.4E-01                                  ! [atm] type: ?, ref: 3766

! species:  3-chloro-4-(dichloromethyl)-2-(5H)-furanone
! formula:  C_5H_3Cl_3O_2
! trivial:  
! casrn:    122551-89-7
! inchikey: WNQKLIFDPFSPIZ-UHFFFAOYSA-N
Hvpx__122551_89_7 =  3.7E-01                                  ! [atm] type: Q, ref: 3088

! species:  3-chloro-4-(dichloromethyl)-5-hydroxy-2-(5H)-furanone
! formula:  C_5H_3Cl_3O_3
! trivial:  
! casrn:    77439-76-0
! inchikey: WNTRMRXAGJOLCU-UHFFFAOYSA-N
Hvpx___77439_76_0 =  1.4E-05                                  ! [atm] type: Q, ref: 3088

! species:  1,2,4-trichloro-2-methyl-3-pentanone
! formula:  C_6H_9Cl_3O
! trivial:  
! casrn:    145556-04-3
! inchikey: KAUWEMQJFDRELR-UHFFFAOYSA-N
Hvpx__145556_04_3 =  2.8E-01                                  ! [atm] type: Q, ref: 2995
Hvpx__145556_04_3 =  2.8E-01                                  ! [atm] type: Q, ref: 2995
Hvpx__145556_04_3 =  4.8E-03                                  ! [atm] type: Q, ref: 2995
Hvpx__145556_04_3 =  1.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  bis(2-chloroisopropyl) ether
! formula:  C_6H_{12}Cl_2O
! trivial:  
! casrn:    39638-32-9
! inchikey: BULHJTXRZFEUDQ-UHFFFAOYSA-N
Hvpx___39638_32_9 =  1.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___39638_32_9 =  1.7E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___39638_32_9 =  5.8E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___39638_32_9 =  3.5E+02                                  ! [atm] type: Q, ref: 2995

! species:  butyl 2,2,3,4,4-pentachloro-3-butenoate
! formula:  C_8H_9Cl_5O_2
! trivial:  
! casrn:    75147-20-5
! inchikey: JZJILZTVTMMGAR-UHFFFAOYSA-N
Hvpx___75147_20_5 =  1.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___75147_20_5 =  1.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___75147_20_5 =  6.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___75147_20_5 =  3.1E+00                                  ! [atm] type: Q, ref: 2995

! species:  3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carbonyl chloride
! formula:  C_8H_9Cl_3O
! trivial:  
! casrn:    52314-67-7
! inchikey: CHLAOFANYRDCPD-UHFFFAOYSA-N
Hvpx___52314_67_7 =  3.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___52314_67_7 =  5.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___52314_67_7 =  3.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___52314_67_7 =  6.2E-01                                  ! [atm] type: Q, ref: 2995

! species:  3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acid
! formula:  C_8H_{10}Cl_2O_2
! trivial:  
! casrn:    55701-05-8
! inchikey: LLMLSUSAKZVFOA-UHFFFAOYSA-N
Hvpx___55701_05_8 =  2.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___55701_05_8 =  6.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___55701_05_8 =  8.9E-06                                  ! [atm] type: Q, ref: 2995
Hvpx___55701_05_8 =  8.9E-03                                  ! [atm] type: Q, ref: 2995

! species:  hexanoic acid, 3,3-dimethyl-4,6,6,6-tetrachloro, methyl ester
! formula:  C_9H_{14}Cl_4O_2
! trivial:  
! casrn:    64667-33-0
! inchikey: POFHGKISWXYKLB-UHFFFAOYSA-N
Hvpx___64667_33_0 =  8.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___64667_33_0 =  2.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___64667_33_0 =  8.9E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___64667_33_0 =  3.0E+01                                  ! [atm] type: Q, ref: 2995

! species:  methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
! formula:  C_9H_{12}Cl_2O_2
! trivial:  
! casrn:    61898-95-1
! inchikey: QJOOIMSFFIUFKX-UHFFFAOYSA-N
Hvpx___61898_95_1 =  8.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___61898_95_1 =  1.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___61898_95_1 =  4.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___61898_95_1 =  3.2E+00                                  ! [atm] type: Q, ref: 2995

! species:  oxychlordane
! formula:  C_{10}H_4Cl_8O
! trivial:  
! casrn:    27304-13-8
! inchikey: VWGNQYSIWFHEQU-UHFFFAOYSA-N
Hvpx___27304_13_8 =  9.1E+00 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___27304_13_8 =  4.8E-03                                  ! [atm] type: Q, ref: 3088

! species:  kepone
! formula:  C_{10}Cl_{10}O
! trivial:  
! casrn:    143-50-0
! inchikey: LHHGDZSESBACKH-UHFFFAOYSA-N
Hvpx_____143_50_0 =  3.0E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____143_50_0 =  3.0E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____143_50_0 =  2.7E-03                                  ! [atm] type: V, ref: 2614
Hvpx_____143_50_0 =  3.5E-03                                  ! [atm] type: Q, ref: 3586

! species:  bis-(chloromethyl) ether
! formula:  C_2H_4Cl_2O
! trivial:  
! casrn:    542-88-1
! inchikey: HRQGCQVOJVTVLU-UHFFFAOYSA-N
Hvpx_____542_88_1 =  2.4E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____542_88_1 =  1.1E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____542_88_1 =  1.1E+01                                  ! [atm] type: V, ref: 635
Hvpx_____542_88_1 =  1.2E+02                                  ! [atm] type: C, ref: 2235
Hvpx_____542_88_1 =  2.9E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____542_88_1 =  1.3E+01                                  ! [atm] type: Q, ref: 2530

! species:  1,5-dichloro-3-oxapentane
! formula:  C_4H_8Cl_2O
! trivial:  bis-(2-chloroethyl)-ether
! casrn:    111-44-4
! inchikey: ZNSMNVMLTJELDZ-UHFFFAOYSA-N
Hvpx_____111_44_4 =  1.1E+00 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____111_44_4 =  9.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____111_44_4 =  1.6E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____111_44_4 =  1.6E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____111_44_4 =  1.6E+01                                  ! [atm] type: V, ref: 477
Hvpx_____111_44_4 =  1.6E+00                                  ! [atm] type: V, ref: 635
Hvpx_____111_44_4 =  1.2E+00                                  ! [atm] type: X, ref: usepa82
Hvpx_____111_44_4 =  1.2E+00 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____111_44_4 =  1.5E+00                                  ! [atm] type: C, ref: 1912
Hvpx_____111_44_4 =  6.4E-02                                  ! [atm] type: C, ref: 2235
Hvpx_____111_44_4 =  1.6E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_44_4 =  1.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____111_44_4 =  2.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____111_44_4 =  1.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____111_44_4 =  1.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____111_44_4 =  1.9E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_44_4 =  1.5E+00                                  ! [atm] type: Q, ref: 2530

! species:  2-chloro-1,1-dimethoxyethane
! formula:  C_4H_9ClO_2
! trivial:  
! casrn:    97-97-2
! inchikey: CRZJPEIBPQWDGJ-UHFFFAOYSA-N
Hvpx______97_97_2 =  1.7E+00                                  ! [atm] type: ?, ref: 3766

! species:  (2-chloroethoxy)-ethene
! formula:  C_4H_7ClO
! trivial:  2-chloroethylvinylether
! casrn:    110-75-8
! inchikey: DNJRKFKAFWSXSE-UHFFFAOYSA-N
Hvpx_____110_75_8 =  4.8E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____110_75_8 =  4.9E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____110_75_8 =  1.4E+01                                  ! [atm] type: V, ref: 2613
Hvpx_____110_75_8 =  1.4E+01                                  ! [atm] type: V, ref: 635
Hvpx_____110_75_8 =  5.0E+02                                  ! [atm] type: X, ref: usepa82
Hvpx_____110_75_8 =  1.8E+01 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____110_75_8 =  1.4E+01                                  ! [atm] type: C, ref: 2235
Hvpx_____110_75_8 =  1.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_75_8 =  2.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_75_8 =  2.6E+01                                  ! [atm] type: Q, ref: 2530

! species:  bis-(2-chloroethoxy)-methane
! formula:  C_5H_{10}Cl_2O_2
! trivial:  
! casrn:    111-91-1
! inchikey: NLXGURFLBLRZRO-UHFFFAOYSA-N
Hvpx_____111_91_1 =  2.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____111_91_1 =  2.2E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____111_91_1 =  2.5E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____111_91_1 =  2.5E-01                                  ! [atm] type: V, ref: 635
Hvpx_____111_91_1 =  6.2E-02                                  ! [atm] type: X, ref: usepa82
Hvpx_____111_91_1 =  2.1E-02 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____111_91_1 =  1.5E-02                                  ! [atm] type: C, ref: 2235
Hvpx_____111_91_1 =  1.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_91_1 =  1.6E-01                                  ! [atm] type: Q, ref: 2521

! species:  bis-(2-chloroisopropyl) ether
! formula:  C_6H_{12}Cl_2O
! trivial:  DCIP
! casrn:    108-60-1
! inchikey: QCFYJCYNJLBDRT-UHFFFAOYSA-N
Hvpx_____108_60_1 =  1.3E+00                                  ! [atm] type: M, ref: 2229
Hvpx_____108_60_1 =  4.1E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____108_60_1 =  5.7E+00                                  ! [atm] type: V, ref: 2613
Hvpx_____108_60_1 =  5.7E+00                                  ! [atm] type: V, ref: 635
Hvpx_____108_60_1 =  8.3E+00                                  ! [atm] type: X, ref: usepa82
Hvpx_____108_60_1 =  8.5E+00 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____108_60_1 =  6.4E+01                                  ! [atm] type: C, ref: 2235
Hvpx_____108_60_1 =  7.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_60_1 =  1.9E+00                                  ! [atm] type: Q, ref: 2530

! species:  1,2-bis(2-chloroethoxy)ethane
! formula:  C_6H_{12}Cl_2O_2
! trivial:  
! casrn:    112-26-5
! inchikey: AGYUOJIYYGGHKV-UHFFFAOYSA-N
Hvpx_____112_26_5 =  4.3E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____112_26_5 =  1.2E-01                                  ! [atm] type: Q, ref: 2530

! species:  2-hydroxychlorobenzene
! formula:  C_6H_5ClO
! trivial:  $o$-chlorophenol
! casrn:    95-57-8
! inchikey: ISPYQTSUDJAMAB-UHFFFAOYSA-N
Hvpx______95_57_8 =  3.6E-01                                  ! [atm] type: M, ref: 1930
Hvpx______95_57_8 =  1.5E-01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2451
Hvpx______95_57_8 =  3.8E-01                                  ! [atm] type: V, ref: 2613
Hvpx______95_57_8 =  4.5E-01                                  ! [atm] type: V, ref: 1943
Hvpx______95_57_8 =  3.1E-02                                  ! [atm] type: V, ref: 477
Hvpx______95_57_8 =  3.8E-01                                  ! [atm] type: V, ref: 636
Hvpx______95_57_8 =  3.8E-01                                  ! [atm] type: V, ref: 638
Hvpx______95_57_8 =  6.2E-01                                  ! [atm] type: R, ref: 1501
Hvpx______95_57_8 =  4.6E-01                                  ! [atm] type: X, ref: usepa82
Hvpx______95_57_8 =  4.5E-01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______95_57_8 =  3.1E-02                                  ! [atm] type: X, ref: howard89
Hvpx______95_57_8 =  2.6E-01                                  ! [atm] type: C, ref: 2235
Hvpx______95_57_8 =  2.5E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______95_57_8 =  6.7E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______95_57_8 =  1.3E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______95_57_8 =  1.2E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______95_57_8 =  5.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______95_57_8 =  3.0E-03                                  ! [atm] type: Q, ref: 984
Hvpx______95_57_8 =  6.2E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______95_57_8 =  6.2E-01                                  ! [atm] type: ?, ref: 3088
Hvpx______95_57_8 =  2.1E+00                                  ! [atm] type: ?, ref: 2440
Hvpx______95_57_8 =  5.3E-01                                  ! [atm] type: ?, ref: 2979

! species:  3-hydroxychlorobenzene
! formula:  C_6H_5ClO
! trivial:  $m$-chlorophenol
! casrn:    108-43-0
! inchikey: HORNXRXVQWOLPJ-UHFFFAOYSA-N
Hvpx_____108_43_0 =  7.6E-02                                  ! [atm] type: M, ref: 3404
Hvpx_____108_43_0 =  1.6E-02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2451
Hvpx_____108_43_0 =  1.1E-01                                  ! [atm] type: V, ref: 2613
Hvpx_____108_43_0 =  7.4E-02                                  ! [atm] type: V, ref: 1943
Hvpx_____108_43_0 =  3.1E-02                                  ! [atm] type: V, ref: 477
Hvpx_____108_43_0 =  1.1E-01                                  ! [atm] type: V, ref: 636
Hvpx_____108_43_0 =  1.1E-01                                  ! [atm] type: V, ref: 638
Hvpx_____108_43_0 =  1.9E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____108_43_0 =  3.1E-02                                  ! [atm] type: X, ref: howard89
Hvpx_____108_43_0 =  1.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_43_0 =  5.5E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_43_0 =  3.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_43_0 =  2.2E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_43_0 =  1.8E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_43_0 =  4.1E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_43_0 =  2.3E-02                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_43_0 =  3.0E-03                                  ! [atm] type: Q, ref: 984
Hvpx_____108_43_0 =  1.9E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_43_0 =  1.9E-02                                  ! [atm] type: ?, ref: 3088
Hvpx_____108_43_0 =  1.1E-01                                  ! [atm] type: ?, ref: 2440

! species:  4-hydroxychlorobenzene
! formula:  C_6H_5ClO
! trivial:  $p$-chlorophenol
! casrn:    106-48-9
! inchikey: WXNZTHHGJRFXKQ-UHFFFAOYSA-N
Hvpx_____106_48_9 =  8.1E-02                                  ! [atm] type: M, ref: 3404
Hvpx_____106_48_9 =  3.8E-04 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2451
Hvpx_____106_48_9 =  3.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____106_48_9 =  5.2E-02                                  ! [atm] type: V, ref: 2613
Hvpx_____106_48_9 =  4.5E-02                                  ! [atm] type: V, ref: 1943
Hvpx_____106_48_9 =  3.1E-02                                  ! [atm] type: V, ref: 477
Hvpx_____106_48_9 =  5.2E-02                                  ! [atm] type: V, ref: 636
Hvpx_____106_48_9 =  5.2E-02                                  ! [atm] type: V, ref: 638
Hvpx_____106_48_9 =  9.4E-03                                  ! [atm] type: R, ref: 1501
Hvpx_____106_48_9 =  3.1E-02                                  ! [atm] type: X, ref: howard89
Hvpx_____106_48_9 =  1.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____106_48_9 =  3.7E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_48_9 =  2.3E-02                                  ! [atm] type: Q, ref: 3689
Hvpx_____106_48_9 =  4.1E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_48_9 =  5.6E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_48_9 =  9.4E-03                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_48_9 =  1.6E-02                                  ! [atm] type: Q, ref: 3731
Hvpx_____106_48_9 =  2.4E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_48_9 =  1.8E-02                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_48_9 =  3.0E-03                                  ! [atm] type: Q, ref: 984
Hvpx_____106_48_9 =  3.5E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____106_48_9 =  7.0E-02                                  ! [atm] type: ?, ref: 2440
Hvpx_____106_48_9 =  5.0E-02                                  ! [atm] type: ?, ref: 2979

! species:  2,3-dichlorophenol
! formula:  C_6H_4Cl_2O
! trivial:  
! casrn:    576-24-9
! inchikey: UMPSXRYVXUPCOS-UHFFFAOYSA-N
Hvpx_____576_24_9 =  1.9E-01                                  ! [atm] type: V, ref: 3088

! species:  2,4-dichlorophenol
! formula:  C_6H_4Cl_2O
! trivial:  
! casrn:    120-83-2
! inchikey: HFZWRUODUSTPEG-UHFFFAOYSA-N
Hvpx_____120_83_2 =  1.6E-01                                  ! [atm] type: M, ref: 1930
Hvpx_____120_83_2 =  8.3E-02 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2451
Hvpx_____120_83_2 =  2.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____120_83_2 =  1.9E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____120_83_2 =  2.4E-01                                  ! [atm] type: V, ref: 2613
Hvpx_____120_83_2 =  2.4E-01                                  ! [atm] type: V, ref: 636
Hvpx_____120_83_2 =  2.4E-01                                  ! [atm] type: V, ref: 638
Hvpx_____120_83_2 =  6.1E-02                                  ! [atm] type: V, ref: 1068
Hvpx_____120_83_2 =  3.6E-01                                  ! [atm] type: X, ref: usepa82
Hvpx_____120_83_2 =  3.7E-01 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____120_83_2 =  3.1E-01                                  ! [atm] type: C, ref: 2235
Hvpx_____120_83_2 =  2.5E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____120_83_2 =  1.7E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_83_2 =  6.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_83_2 =  4.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_83_2 =  1.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____120_83_2 =  6.6E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____120_83_2 =  1.2E-01                                  ! [atm] type: Q, ref: 2530

! species:  2,5-dichlorophenol
! formula:  C_6H_4Cl_2O
! trivial:  
! casrn:    583-78-8
! inchikey: RANCECPPZPIPNO-UHFFFAOYSA-N
Hvpx_____583_78_8 =  3.3E-01                                  ! [atm] type: V, ref: 3088

! species:  2,6-dichlorophenol
! formula:  C_6H_4Cl_2O
! trivial:  
! casrn:    87-65-0
! inchikey: HOLHYSJJBXSLMV-UHFFFAOYSA-N
Hvpx______87_65_0 =  1.5E-01                                  ! [atm] type: V, ref: 3586
Hvpx______87_65_0 =  1.5E-01                                  ! [atm] type: V, ref: 3088
Hvpx______87_65_0 =  4.1E-01                                  ! [atm] type: V, ref: 2613
Hvpx______87_65_0 =  1.6E-01                                  ! [atm] type: V, ref: 636
Hvpx______87_65_0 =  4.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______87_65_0 =  1.5E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______87_65_0 =  2.2E-02                                  ! [atm] type: Q, ref: 3764

! species:  3,4-dichlorophenol
! formula:  C_6H_4Cl_2O
! trivial:  
! casrn:    95-77-2
! inchikey: WDNBURPWRNALGP-UHFFFAOYSA-N
Hvpx______95_77_2 =  2.6E-02                                  ! [atm] type: Q, ref: 3088

! species:  3,5-dichlorophenol
! formula:  C_6H_4Cl_2O
! trivial:  
! casrn:    591-35-5
! inchikey: VPOMSPZBQMDLTM-UHFFFAOYSA-N
Hvpx_____591_35_5 =  1.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____591_35_5 =  1.3E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____591_35_5 =  3.1E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____591_35_5 =  1.2E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____591_35_5 =  3.9E-02                                  ! [atm] type: Q, ref: 2530

! species:  2,3,4-trichlorophenol
! formula:  C_6H_3Cl_3O
! trivial:  
! casrn:    15950-66-0
! inchikey: HSQFVBWFPBKHEB-UHFFFAOYSA-N
Hvpx___15950_66_0 =  2.2E-01                                  ! [atm] type: V, ref: 2613
Hvpx___15950_66_0 =  2.2E-01                                  ! [atm] type: V, ref: 636

! species:  2,3,5-trichlorophenol
! formula:  C_6H_3Cl_3O
! trivial:  
! casrn:    933-78-8
! inchikey: WWGQHTJIFOQAOC-UHFFFAOYSA-N
Hvpx_____933_78_8 =  2.2E-01                                  ! [atm] type: V, ref: 2613
Hvpx_____933_78_8 =  2.2E-01                                  ! [atm] type: V, ref: 636

! species:  2,4,5-trichlorophenol
! formula:  C_6H_3Cl_3O
! trivial:  
! casrn:    95-95-4
! inchikey: LHJGJYXLEPZJPM-UHFFFAOYSA-N
Hvpx______95_95_4 =  9.0E-02                                  ! [atm] type: V, ref: 3586
Hvpx______95_95_4 =  8.9E-02                                  ! [atm] type: V, ref: 3088
Hvpx______95_95_4 =  2.8E-01                                  ! [atm] type: V, ref: 2613
Hvpx______95_95_4 =  1.2E+00                                  ! [atm] type: V, ref: 1943
Hvpx______95_95_4 =  2.8E-01                                  ! [atm] type: V, ref: 636
Hvpx______95_95_4 =  7.2E-02                                  ! [atm] type: V, ref: 1068
Hvpx______95_95_4 =  1.2E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______95_95_4 =  2.7E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______95_95_4 =  9.6E-02                                  ! [atm] type: Q, ref: 2530

! species:  2,3,6-trichlorophenol
! formula:  C_6H_3Cl_3O
! trivial:  
! casrn:    933-75-5
! inchikey: XGCHAIDDPMFRLJ-UHFFFAOYSA-N
Hvpx_____933_75_5 =  1.3E-02                                  ! [atm] type: Q, ref: 3088

! species:  2,4,6-trichlorophenol
! formula:  C_6H_3Cl_3O
! trivial:  
! casrn:    88-06-2
! inchikey: LINPIYWFGCPVIE-UHFFFAOYSA-N
Hvpx______88_06_2 =  2.8E-02                                  ! [atm] type: M, ref: 3404
Hvpx______88_06_2 =  2.8E-01                                  ! [atm] type: M, ref: 2292
Hvpx______88_06_2 =  1.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx______88_06_2 =  1.4E-01                                  ! [atm] type: V, ref: 3088
Hvpx______88_06_2 =  3.1E-01                                  ! [atm] type: V, ref: 2613
Hvpx______88_06_2 =  3.4E-03                                  ! [atm] type: V, ref: 477
Hvpx______88_06_2 =  3.1E-01                                  ! [atm] type: V, ref: 636
Hvpx______88_06_2 =  7.2E-02                                  ! [atm] type: V, ref: 1068
Hvpx______88_06_2 =  3.9E-01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______88_06_2 =  3.4E-02                                  ! [atm] type: X, ref: howard89
Hvpx______88_06_2 =  2.3E-01                                  ! [atm] type: C, ref: 2235
Hvpx______88_06_2 =  2.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______88_06_2 =  1.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______88_06_2 =  2.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______88_06_2 =  6.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______88_06_2 =  5.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______88_06_2 =  2.5E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______88_06_2 =  1.6E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______88_06_2 =  1.5E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______88_06_2 =  3.0E-02                                  ! [atm] type: Q, ref: 3764

! species:  3,4,5-trichlorophenol
! formula:  C_6H_3Cl_3O
! trivial:  
! casrn:    609-19-8
! inchikey: GBNHEBQXJVDXSW-UHFFFAOYSA-N
Hvpx_____609_19_8 =  1.3E-02                                  ! [atm] type: Q, ref: 3088

! species:  2,3,4,5-tetrachlorophenol
! formula:  C_6H_2Cl_4O
! trivial:  
! casrn:    4901-51-3
! inchikey: RULKYXXCCZZKDZ-UHFFFAOYSA-N
Hvpx____4901_51_3 =  7.6E-02                                  ! [atm] type: V, ref: 2613
Hvpx____4901_51_3 =  7.6E-02                                  ! [atm] type: V, ref: 636
Hvpx____4901_51_3 =  1.9E-02                                  ! [atm] type: Q, ref: 3088

! species:  2,3,4,6-tetrachlorophenol
! formula:  C_6H_2Cl_4O
! trivial:  
! casrn:    58-90-2
! inchikey: VGVRPFIJEJYOFN-UHFFFAOYSA-N
Hvpx______58_90_2 =  4.9E-01                                  ! [atm] type: V, ref: 3586
Hvpx______58_90_2 =  7.2E-02                                  ! [atm] type: V, ref: 3088
Hvpx______58_90_2 =  1.9E-01                                  ! [atm] type: V, ref: 2613
Hvpx______58_90_2 =  1.9E-01                                  ! [atm] type: V, ref: 636
Hvpx______58_90_2 =  8.2E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______58_90_2 =  9.4E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______58_90_2 =  1.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______58_90_2 =  1.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______58_90_2 =  1.8E-01                                  ! [atm] type: Q, ref: 2995

! species:  2,3,5,6-tetrachlorophenol
! formula:  C_6H_2Cl_4O
! trivial:  
! casrn:    935-95-5
! inchikey: KEWNKZNZRIAIAK-UHFFFAOYSA-N
Hvpx_____935_95_5 =  1.3E-01                                  ! [atm] type: V, ref: 2613
Hvpx_____935_95_5 =  1.3E-01                                  ! [atm] type: V, ref: 636
Hvpx_____935_95_5 =  1.9E-02                                  ! [atm] type: Q, ref: 3088

! species:  hydroxypentachlorobenzene
! formula:  C_6HCl_5O
! trivial:  pentachlorophenol
! casrn:    87-86-5
! inchikey: IZUPBVBPLAPZRR-UHFFFAOYSA-N
Hvpx______87_86_5 =  1.3E-03                                  ! [atm] type: M, ref: 2448
Hvpx______87_86_5 =  4.3E-02                                  ! [atm] type: V, ref: 2613
Hvpx______87_86_5 =  5.2E+01                                  ! [atm] type: V, ref: 1943
Hvpx______87_86_5 =  4.3E-02                                  ! [atm] type: V, ref: 636
Hvpx______87_86_5 =  2.4E-02                                  ! [atm] type: V, ref: 2966
Hvpx______87_86_5 =  2.4E-02                                  ! [atm] type: V, ref: 1157
Hvpx______87_86_5 =  2.4E+00                                  ! [atm] type: X, ref: barcelo97
Hvpx______87_86_5 =  4.9E+00 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______87_86_5 =  1.2E-01                                  ! [atm] type: X, ref: mccarty80
Hvpx______87_86_5 =  1.6E-01                                  ! [atm] type: C, ref: 2235
Hvpx______87_86_5 =  6.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______87_86_5 =  9.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______87_86_5 =  8.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______87_86_5 =  1.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______87_86_5 =  2.2E+00                                  ! [atm] type: Q, ref: 3729
Hvpx______87_86_5 =  4.2E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______87_86_5 =  6.9E-03                                  ! [atm] type: Q, ref: 1145
Hvpx______87_86_5 =  3.0E-01                                  ! [atm] type: E, ref: 1943

! species:  3,4,5-trichloro-1,2-benzenediol
! formula:  C_6H_3Cl_3O_2
! trivial:  3,4,5-trichlorocatechol
! casrn:    56961-20-7
! inchikey: FUTDYIMYZIMPBJ-UHFFFAOYSA-N
Hvpx___56961_20_7 =  2.2E-03                                  ! [atm] type: V, ref: 2960

! species:  4,5-dichloro-1,2-benzenediol
! formula:  C_6H_4Cl_2O_2
! trivial:  4,5-dichlorocatechol
! casrn:    3428-24-8
! inchikey: ACCHWUWBKYGKNM-UHFFFAOYSA-N
Hvpx____3428_24_8 =  4.3E-04                                  ! [atm] type: V, ref: 2960

! species:  3,4,5,6-tetrachloro-1,2-benzenediol
! formula:  C_6H_2Cl_4O_2
! trivial:  tetrachlorocatechol
! casrn:    1198-55-6
! inchikey: RRBMVWQICIXSEO-UHFFFAOYSA-N
Hvpx____1198_55_6 =  1.9E-02                                  ! [atm] type: V, ref: 2960

! species:  2,3,5,6-tetrachloro-$p$-benzoquinone
! formula:  C_6Cl_4O_2
! trivial:  chloranil
! casrn:    118-75-2
! inchikey: UGNWTBMOAKPKBL-UHFFFAOYSA-N
Hvpx_____118_75_2 =  3.7E-04                                  ! [atm] type: V, ref: 3088

! species:  2-chloro-5-methylphenol
! formula:  C_7H_7ClO
! trivial:  
! casrn:    615-74-7
! inchikey: SMFHPCZZAAMJJO-UHFFFAOYSA-N
Hvpx_____615_74_7 =  2.5E-02                                  ! [atm] type: Q, ref: 3088

! species:  4-chloro-2-methylphenol
! formula:  C_7H_7ClO
! trivial:  
! casrn:    1570-64-5
! inchikey: RHPUJHQBPORFGV-UHFFFAOYSA-N
Hvpx____1570_64_5 =  6.3E-02                                  ! [atm] type: V, ref: 3586
Hvpx____1570_64_5 =  6.1E-02                                  ! [atm] type: V, ref: 3090
Hvpx____1570_64_5 =  6.4E-03                                  ! [atm] type: Q, ref: 3586
Hvpx____1570_64_5 =  3.5E-02                                  ! [atm] type: Q, ref: 2521
Hvpx____1570_64_5 =  3.7E-01                                  ! [atm] type: Q, ref: 2530

! species:  4-chloro-3-methylphenol
! formula:  C_7H_7ClO
! trivial:  
! casrn:    59-50-7
! inchikey: CFKMVGJGLGKFKI-UHFFFAOYSA-N
Hvpx______59_50_7 =  1.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx______59_50_7 =  1.3E-01                                  ! [atm] type: V, ref: 3088
Hvpx______59_50_7 =  1.4E-02                                  ! [atm] type: R, ref: 1501
Hvpx______59_50_7 =  1.4E-01                                  ! [atm] type: C, ref: 2235
Hvpx______59_50_7 =  6.4E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______59_50_7 =  2.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______59_50_7 =  4.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______59_50_7 =  2.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______59_50_7 =  5.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______59_50_7 =  4.5E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______59_50_7 =  6.2E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______59_50_7 =  1.4E-02                                  ! [atm] type: Q, ref: 2535
Hvpx______59_50_7 =  3.2E-02                                  ! [atm] type: Q, ref: 2543
Hvpx______59_50_7 =  4.3E-03                                  ! [atm] type: Q, ref: 984

! species:  1-chloro-2-methoxybenzene
! formula:  C_7H_7ClO
! trivial:  2-chloroanisole
! casrn:    766-51-8
! inchikey: QGRPVMLBTFGQDQ-UHFFFAOYSA-N
Hvpx_____766_51_8 =  5.4E+00                                  ! [atm] type: M, ref: 1524
Hvpx_____766_51_8 =  5.0E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____766_51_8 =  3.0E+00                                  ! [atm] type: Q, ref: 3586

! species:  1-chloro-3-methoxybenzene
! formula:  C_7H_7ClO
! trivial:  3-chloroanisole
! casrn:    2845-89-8
! inchikey: YUKILTJWFRTXGB-UHFFFAOYSA-N
Hvpx____2845_89_8 =  1.2E+01                                  ! [atm] type: M, ref: 1524

! species:  1-chloro-4-methoxybenzene
! formula:  C_7H_7ClO
! trivial:  4-chloroanisole
! casrn:    623-12-1
! inchikey: YRGAYAGBVIXNAQ-UHFFFAOYSA-N
Hvpx_____623_12_1 =  9.5E+00                                  ! [atm] type: M, ref: 1524

! species:  1,2-dichloro-3-methoxybenzene
! formula:  C_7H_6Cl_2O
! trivial:  2,3-dichloroanisole
! casrn:    1984-59-4
! inchikey: HFEASCCDHUVYKU-UHFFFAOYSA-N
Hvpx____1984_59_4 =  2.4E+01                                  ! [atm] type: M, ref: 1524

! species:  1,5-dichloro-2-methoxybenzene
! formula:  C_7H_6Cl_2O
! trivial:  2,4-dichloroanisole
! casrn:    553-82-2
! inchikey: CICQUFBZCADHHX-UHFFFAOYSA-N
Hvpx_____553_82_2 =  4.5E+01                                  ! [atm] type: M, ref: 1524

! species:  1,4-dichloro-2-methoxybenzene
! formula:  C_7H_6Cl_2O
! trivial:  2,5-dichloroanisole
! casrn:    1984-58-3
! inchikey: QKMNFFSBZRGHDJ-UHFFFAOYSA-N
Hvpx____1984_58_3 =  2.6E+01                                  ! [atm] type: M, ref: 1524
Hvpx____1984_58_3 =  9.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1984_58_3 =  3.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1984_58_3 =  3.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1984_58_3 =  1.1E+01                                  ! [atm] type: Q, ref: 2995

! species:  1,3-dichloro-2-methoxybenzene
! formula:  C_7H_6Cl_2O
! trivial:  2,6-dichloroanisole
! casrn:    1984-65-2
! inchikey: KZLMCDNAVVJKPX-UHFFFAOYSA-N
Hvpx____1984_65_2 =  6.2E+01                                  ! [atm] type: M, ref: 1524

! species:  1,2-dichloro-4-methoxybenzene
! formula:  C_7H_6Cl_2O
! trivial:  3,4-dichloroanisole
! casrn:    36404-30-5
! inchikey: VISJRVXHPNMYRH-UHFFFAOYSA-N
Hvpx___36404_30_5 =  6.0E+01                                  ! [atm] type: M, ref: 1524

! species:  1,3-dichloro-5-methoxybenzene
! formula:  C_7H_6Cl_2O
! trivial:  3,5-dichloroanisole
! casrn:    33719-74-3
! inchikey: SSNXYMVLSOMJLU-UHFFFAOYSA-N
Hvpx___33719_74_3 =  2.4E+02                                  ! [atm] type: M, ref: 1524

! species:  1,2,3-trichloro-4-methoxybenzene
! formula:  C_7H_5Cl_3O
! trivial:  2,3,4-trichloroanisole
! casrn:    54135-80-7
! inchikey: FRQUNVLMWIYOLV-UHFFFAOYSA-N
Hvpx___54135_80_7 =  4.1E+01                                  ! [atm] type: M, ref: 1524

! species:  1,2,5-trichloro-3-methoxybenzene
! formula:  C_7H_5Cl_3O
! trivial:  2,3,5-trichloroanisole
! casrn:    54135-81-8
! inchikey: MKERQGLKSFEKAE-UHFFFAOYSA-N
Hvpx___54135_81_8 =  7.2E+01                                  ! [atm] type: M, ref: 1524

! species:  1,2,4-trichloro-3-methoxybenzene
! formula:  C_7H_5Cl_3O
! trivial:  2,3,6-trichloroanisole
! casrn:    50375-10-5
! inchikey: OTFNCXLUCRUNCH-UHFFFAOYSA-N
Hvpx___50375_10_5 =  5.2E+01 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3118
Hvpx___50375_10_5 =  5.6E+01                                  ! [atm] type: M, ref: 1524
Hvpx___50375_10_5 =  3.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx___50375_10_5 =  2.8E+01                                  ! [atm] type: Q, ref: 2530
Hvpx___50375_10_5 =  7.2E+00                                  ! [atm] type: Q, ref: 1145

! species:  1,2,4-trichloro-5-methoxybenzene
! formula:  C_7H_5Cl_3O
! trivial:  2,4,5-trichloroanisole
! casrn:    6130-75-2
! inchikey: SXKBHOQOOGRFJF-UHFFFAOYSA-N
Hvpx____6130_75_2 =  5.1E+01                                  ! [atm] type: M, ref: 1524

! species:  1,3,5-trichloro-2-methoxybenzene
! formula:  C_7H_5Cl_3O
! trivial:  2,4,6-trichloroanisole
! casrn:    87-40-1
! inchikey: WCVOGSZTONGSQY-UHFFFAOYSA-N
Hvpx______87_40_1 =  2.4E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3719
Hvpx______87_40_1 =  1.2E+02 * EXP(   -640.*(1./T-1./298.15)) ! [atm] type: M, ref: 3118
Hvpx______87_40_1 =  1.2E+02                                  ! [atm] type: M, ref: 1524

! species:  1,2,3-trichloro-5-methoxybenzene
! formula:  C_7H_5Cl_3O
! trivial:  3,4,5-trichloroanisole
! casrn:    54135-82-9
! inchikey: GUCFBWGWRCILHN-UHFFFAOYSA-N
Hvpx___54135_82_9 =  1.2E+02                                  ! [atm] type: M, ref: 1524

! species:  1,2,3,4-tetrachloro-5-methoxybenzene
! formula:  C_7H_4Cl_4O
! trivial:  2,3,4,5-tetrachloroanisole
! casrn:    938-86-3
! inchikey: FUUHMSUPRUNWRQ-UHFFFAOYSA-N
Hvpx_____938_86_3 =  8.4E+01                                  ! [atm] type: M, ref: 1524

! species:  1,2,3,5-tetrachloro-4-methoxybenzene
! formula:  C_7H_4Cl_4O
! trivial:  2,3,4,6-tetrachloroanisole
! casrn:    938-22-7
! inchikey: ITXDBGLYYSJNPK-UHFFFAOYSA-N
Hvpx_____938_22_7 =  1.8E+02                                  ! [atm] type: M, ref: 1524

! species:  1,2,4,5-tetrachloro-3-methoxybenzene
! formula:  C_7H_4Cl_4O
! trivial:  2,3,5,6-tetrachloroanisole
! casrn:    6936-40-9
! inchikey: WMMFIDNWZNCBCT-UHFFFAOYSA-N
Hvpx____6936_40_9 =  1.7E+02                                  ! [atm] type: M, ref: 1524

! species:  pentachloromethoxybenzene
! formula:  C_7H_3Cl_5O
! trivial:  pentachloroanisole
! casrn:    1825-21-4
! inchikey: BBABSCYTNHOKOG-UHFFFAOYSA-N
Hvpx____1825_21_4 =  2.5E+02                                  ! [atm] type: M, ref: 1524
Hvpx____1825_21_4 =  1.1E+02                                  ! [atm] type: Q, ref: 3088

! species:  4,5-dichloro-2-methoxyphenol
! formula:  C_7H_6Cl_2O_2
! trivial:  4,5-dichloroguaiacol
! casrn:    2460-49-3
! inchikey: HAAFFTHBNFBVKY-UHFFFAOYSA-N
Hvpx____2460_49_3 =  1.0E-01                                  ! [atm] type: V, ref: 2613
Hvpx____2460_49_3 =  2.4E-01                                  ! [atm] type: V, ref: 2960

! species:  3,4,5-trichloro-2-methoxyphenol
! formula:  C_7H_5Cl_3O_2
! trivial:  3,4,5-trichloroguaiacol
! casrn:    57057-83-7
! inchikey: RKEHLKXRUVUBJN-UHFFFAOYSA-N
Hvpx___57057_83_7 =  4.9E-02                                  ! [atm] type: V, ref: 3586
Hvpx___57057_83_7 =  6.6E-02                                  ! [atm] type: V, ref: 2960
Hvpx___57057_83_7 =  5.7E-03                                  ! [atm] type: Q, ref: 3586

! species:  4,5,6-trichloro-2-methoxyphenol
! formula:  C_7H_5Cl_3O_2
! trivial:  4,5,6-trichloroguaiacol
! casrn:    2668-24-8
! inchikey: NIAJPNQTKGWEOI-UHFFFAOYSA-N
Hvpx____2668_24_8 =  7.4E-02                                  ! [atm] type: V, ref: 2613
Hvpx____2668_24_8 =  7.6E-02                                  ! [atm] type: V, ref: 2960

! species:  2,3,4,5-tetrachloro-6-methoxyphenol
! formula:  C_7H_4Cl_4O_2
! trivial:  tetrachloroguaiacol
! casrn:    2539-17-5
! inchikey: YZZVKLJKDFFSFL-UHFFFAOYSA-N
Hvpx____2539_17_5 =  3.8E-01                                  ! [atm] type: V, ref: 3586
Hvpx____2539_17_5 =  8.8E-02                                  ! [atm] type: V, ref: 2613
Hvpx____2539_17_5 =  8.2E-02                                  ! [atm] type: V, ref: 2960
Hvpx____2539_17_5 =  6.5E-02                                  ! [atm] type: Q, ref: 3586

! species:  2-chlorobenzoic acid
! formula:  C_7H_5ClO_2
! trivial:  
! casrn:    118-91-2
! inchikey: IKCLCGXPQILATA-UHFFFAOYSA-N
Hvpx_____118_91_2 =  3.6E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____118_91_2 =  4.2E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____118_91_2 =  1.5E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____118_91_2 =  3.9E-03                                  ! [atm] type: Q, ref: 3579

! species:  3-chlorobenzoic acid
! formula:  C_7H_5ClO_2
! trivial:  
! casrn:    535-80-8
! inchikey: LULAYUGMBFYYEX-UHFFFAOYSA-N
Hvpx_____535_80_8 =  9.6E-03                                  ! [atm] type: Q, ref: 3627
Hvpx_____535_80_8 =  2.1E-03                                  ! [atm] type: Q, ref: 3088

! species:  4-chlorobenzoic acid
! formula:  C_7H_5ClO_2
! trivial:  
! casrn:    74-11-3
! inchikey: XRHGYUZYPHTUJZ-UHFFFAOYSA-N
Hvpx______74_11_3 =  2.1E-02                                  ! [atm] type: Q, ref: 3627

! species:  3,4-dichlorobenzoic acid
! formula:  C_7H_4Cl_2O_2
! trivial:  
! casrn:    51-44-5
! inchikey: VPHHJAOJUJHJKD-UHFFFAOYSA-N
Hvpx______51_44_5 =  2.6E-02                                  ! [atm] type: Q, ref: 3627

! species:  2,3,6-trichlorobenzoic acid
! formula:  C_7H_3Cl_3O_2
! trivial:  
! casrn:    50-31-7
! inchikey: XZIDTOHMJBOSOX-UHFFFAOYSA-N
Hvpx______50_31_7 =  1.2E-03                                  ! [atm] type: V, ref: 3586
Hvpx______50_31_7 =  8.4E-04                                  ! [atm] type: Q, ref: 3586

! species:  1,2,3-trichloro-4,5-dimethoxybenzene
! formula:  C_8H_7Cl_3O_2
! trivial:  3,4,5-trichloroveratrole
! casrn:    16766-29-3
! inchikey: VKNITLPENCJQOP-UHFFFAOYSA-N
Hvpx___16766_29_3 =  2.1E+00                                  ! [atm] type: V, ref: 2960

! species:  1,2,3,4-tetrachloro-5,6-dimethoxybenzene
! formula:  C_8H_6Cl_4O_2
! trivial:  tetrachloroveratrole
! casrn:    944-61-6
! inchikey: NCYHCGGUQGDEQW-UHFFFAOYSA-N
Hvpx_____944_61_6 =  6.0E+00                                  ! [atm] type: V, ref: 2960
Hvpx_____944_61_6 =  3.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____944_61_6 =  2.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____944_61_6 =  2.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____944_61_6 =  7.3E-01                                  ! [atm] type: Q, ref: 2995

! species:  3-chloro-2,6-dimethoxyphenol
! formula:  C_8H_9ClO_3
! trivial:  3-chlorosyringol
! casrn:    18113-22-9
! inchikey: WYEMCZZCZXKDNC-UHFFFAOYSA-N
Hvpx___18113_22_9 =  1.3E-02                                  ! [atm] type: V, ref: 2960

! species:  3,5-dichloro-2,6-dimethoxyphenol
! formula:  C_8H_8Cl_2O_3
! trivial:  3,5-dichlorosyringol
! casrn:    78782-46-4
! inchikey: IDKMFABKPPHDBI-UHFFFAOYSA-N
Hvpx___78782_46_4 =  3.8E-02                                  ! [atm] type: V, ref: 2960

! species:  3,5-dichloro-2-hydroxybenzoic acid
! formula:  C_7H_4Cl_2O_3
! trivial:  
! casrn:    320-72-9
! inchikey: CNJGWCQEGROXEE-UHFFFAOYSA-N
Hvpx_____320_72_9 =  4.3E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____320_72_9 =  1.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____320_72_9 =  7.3E-06                                  ! [atm] type: Q, ref: 2995
Hvpx_____320_72_9 =  2.5E-03                                  ! [atm] type: Q, ref: 2995

! species:  3,6-dichloro-2-hydroxybenzoic acid
! formula:  C_7H_4Cl_2O_3
! trivial:  
! casrn:    3401-80-7
! inchikey: FKIKPQHMWFZFEB-UHFFFAOYSA-N
Hvpx____3401_80_7 =  4.3E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____3401_80_7 =  1.6E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____3401_80_7 =  4.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____3401_80_7 =  2.5E-03                                  ! [atm] type: Q, ref: 2995

! species:  5-chloro-2-methoxybenzoic acid
! formula:  C_8H_7ClO_3
! trivial:  
! casrn:    3438-16-2
! inchikey: HULDRQRKKXRXBI-UHFFFAOYSA-N
Hvpx____3438_16_2 =  2.6E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____3438_16_2 =  1.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____3438_16_2 =  5.8E-05                                  ! [atm] type: Q, ref: 2995
Hvpx____3438_16_2 =  9.2E-05                                  ! [atm] type: Q, ref: 2995

! species:  2-chloroacetophenone
! formula:  C_8H_7ClO
! trivial:  
! casrn:    532-27-4
! inchikey: IMACFCSSMIZSPP-UHFFFAOYSA-N
Hvpx_____532_27_4 =  1.9E-01                                  ! [atm] type: Q, ref: 3088

! species:  2,2,2',4',5'-pentachloroacetophenone
! formula:  C_8H_3Cl_5O
! trivial:  
! casrn:    1203-86-7
! inchikey: WKJXVVFAALGBOH-UHFFFAOYSA-N
Hvpx____1203_86_7 =  2.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____1203_86_7 =  9.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____1203_86_7 =  5.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1203_86_7 =  9.2E-02                                  ! [atm] type: Q, ref: 2995

! species:  tetrachloroterephthaloyl chloride
! formula:  C_8Cl_6O_2
! trivial:  
! casrn:    719-32-4
! inchikey: YJIRZJAZKDWEIJ-UHFFFAOYSA-N
Hvpx_____719_32_4 =  5.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____719_32_4 =  2.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____719_32_4 =  1.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____719_32_4 =  4.1E-04                                  ! [atm] type: Q, ref: 2995

! species:  chloroxylenol
! formula:  C_8H_9ClO
! trivial:  
! casrn:    88-04-0
! inchikey: OSDLLIBGSJNGJE-UHFFFAOYSA-N
Hvpx______88_04_0 =  2.8E-02                                  ! [atm] type: Q, ref: 3088
Hvpx______88_04_0 =  2.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______88_04_0 =  3.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______88_04_0 =  2.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______88_04_0 =  1.1E-02                                  ! [atm] type: Q, ref: 2995

! species:  4,5,6,7-tetrachloro-1,3-isobenzofurandione
! formula:  C_8Cl_4O_3
! trivial:  
! casrn:    117-08-8
! inchikey: AUHHYELHRWCWEZ-UHFFFAOYSA-N
Hvpx_____117_08_8 =  1.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____117_08_8 =  3.0E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____117_08_8 =  2.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____117_08_8 =  1.3E-02                                  ! [atm] type: Q, ref: 2995

! species:  3,4,5-trichloro-2,6-dimethoxyphenol
! formula:  C_8H_7Cl_3O_3
! trivial:  trichlorosyringol
! casrn:    2539-26-6
! inchikey: ZZCSBXFJFLSDRR-UHFFFAOYSA-N
Hvpx____2539_26_6 =  1.2E-02                                  ! [atm] type: V, ref: 2960

! species:  4,5,6,7-tetrachlorophthalide
! formula:  C_8H_2Cl_4O_2
! trivial:  
! casrn:    27355-22-2
! inchikey: NMWKWBPNKPGATC-UHFFFAOYSA-N
Hvpx___27355_22_2 =  3.0E-02                                  ! [atm] type: M, ref: 2229
Hvpx___27355_22_2 =  1.8E-04                                  ! [atm] type: V, ref: 3586
Hvpx___27355_22_2 =  6.4E-02                                  ! [atm] type: Q, ref: 3586

! species:  dicamba
! formula:  C_8H_6Cl_2O_3
! trivial:  banvel
! casrn:    1918-00-9
! inchikey: IWEDIXLBFLAXBO-UHFFFAOYSA-N
Hvpx____1918_00_9 =  1.2E-04                                  ! [atm] type: V, ref: 3586
Hvpx____1918_00_9 =  2.4E-05                                  ! [atm] type: V, ref: 3088
Hvpx____1918_00_9 =  1.2E-04                                  ! [atm] type: V, ref: 2614
Hvpx____1918_00_9 =  6.6E-05                                  ! [atm] type: V, ref: 1157
Hvpx____1918_00_9 =  6.6E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx____1918_00_9 =  2.4E-05                                  ! [atm] type: C, ref: 3073
Hvpx____1918_00_9 =  9.3E-05                                  ! [atm] type: Q, ref: 3586
Hvpx____1918_00_9 =  4.7E-01                                  ! [atm] type: Q, ref: 3729
Hvpx____1918_00_9 =  5.5E-05                                  ! [atm] type: ?, ref: 3549

! species:  (2,4-dichlorophenoxy)-ethanoic acid
! formula:  C_8H_6Cl_2O_3
! trivial:  (2,4-dichlorophenoxy)-acetic acid; 2,4-D
! casrn:    94-75-7
! inchikey: OVSKIKFHRZPJSS-UHFFFAOYSA-N
Hvpx______94_75_7 =  3.8E+00                                  ! [atm] type: M, ref: 893
Hvpx______94_75_7 =  4.7E-01                                  ! [atm] type: M, ref: 893
Hvpx______94_75_7 =  2.0E-03                                  ! [atm] type: V, ref: 3586
Hvpx______94_75_7 =  1.1E-05                                  ! [atm] type: V, ref: 2613
Hvpx______94_75_7 =  2.4E-05                                  ! [atm] type: V, ref: 2614
Hvpx______94_75_7 =  1.4E-04                                  ! [atm] type: V, ref: 2614
Hvpx______94_75_7 =  1.9E-03                                  ! [atm] type: V, ref: 636
Hvpx______94_75_7 =  3.0E-01                                  ! [atm] type: V, ref: 2966
Hvpx______94_75_7 =  3.0E-01                                  ! [atm] type: V, ref: 1157
Hvpx______94_75_7 =  7.6E-06                                  ! [atm] type: X, ref: howard91b
Hvpx______94_75_7 =  5.6E-04                                  ! [atm] type: X, ref: howard91b
Hvpx______94_75_7 =  1.0E-07                                  ! [atm] type: C, ref: 3073
Hvpx______94_75_7 =  6.3E-04                                  ! [atm] type: Q, ref: 3586
Hvpx______94_75_7 =  2.2E-06                                  ! [atm] type: ?, ref: 3549

! species:  2,4,5-trichlorophenoxyethanoic acid
! formula:  C_8H_5Cl_3O_3
! trivial:  2,4,5-T
! casrn:    93-76-5
! inchikey: SMYMJHWAQXWPDB-UHFFFAOYSA-N
Hvpx______93_76_5 =  3.2E-03                                  ! [atm] type: V, ref: 2614
Hvpx______93_76_5 =  3.2E-03                                  ! [atm] type: V, ref: 2966
Hvpx______93_76_5 =  3.2E-03                                  ! [atm] type: V, ref: 1157
Hvpx______93_76_5 =  6.5E-07                                  ! [atm] type: ?, ref: 3087

! species:  1,4-dichloro-2,5-dimethoxybenzene
! formula:  C_8H_8Cl_2O_2
! trivial:  
! casrn:    2675-77-6
! inchikey: PFIADAMVCJPXSF-UHFFFAOYSA-N
Hvpx____2675_77_6 =  5.6E+00                                  ! [atm] type: V, ref: 3586
Hvpx____2675_77_6 =  5.5E+00                                  ! [atm] type: V, ref: 3088
Hvpx____2675_77_6 =  5.8E-01                                  ! [atm] type: Q, ref: 3586

! species:  2,3,6-trichlorophenylacetic acid
! formula:  C_8H_5Cl_3O_2
! trivial:  
! casrn:    85-34-7
! inchikey: QZXCCPZJCKEPSA-UHFFFAOYSA-N
Hvpx______85_34_7 =  6.6E-01                                  ! [atm] type: V, ref: 2614
Hvpx______85_34_7 =  1.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  4-methoxy-benzoyl chloride
! formula:  C_8H_7ClO_2
! trivial:  $p$-anisoyl chloride
! casrn:    100-07-2
! inchikey: MXMOTZIXVICDSD-UHFFFAOYSA-N
Hvpx_____100_07_2 =  4.3E-01                                  ! [atm] type: Q, ref: 3088

! species:  (4-chlorophenoxy)acetic acid
! formula:  C_8H_7ClO_3
! trivial:  
! casrn:    122-88-3
! inchikey: SODPIMGUZLOIPE-UHFFFAOYSA-N
Hvpx_____122_88_3 =  5.3E-06                                  ! [atm] type: ?, ref: 3766

! species:  isobenzan
! formula:  C_9H_4Cl_8O
! trivial:  
! casrn:    297-78-9
! inchikey: LRWHHSXTGZSMSN-UHFFFAOYSA-N
Hvpx_____297_78_9 =  3.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  2-chloro-4-hydroxy-3,5-dimethoxybenzaldehyde
! formula:  C_9H_9ClO_4
! trivial:  2-chlorosyringaldehyde
! casrn:    76341-69-0
! inchikey: GRIHRCLOUQZXPD-UHFFFAOYSA-N
Hvpx___76341_69_0 =  6.0E-03                                  ! [atm] type: V, ref: 2960

! species:  2,6-dichloro-4-hydroxy-3,5-dimethoxybenzaldehyde
! formula:  C_9H_8Cl_2O_4
! trivial:  2,6-dichlorosyringaldehyde
! casrn:    76330-06-8
! inchikey: CTFRWEPMHUGVMM-UHFFFAOYSA-N
Hvpx___76330_06_8 =  2.0E-03                                  ! [atm] type: V, ref: 2960

! species:  methyl 2,4-dichlorophenoxyethanoate
! formula:  C_9H_8Cl_2O_3
! trivial:  
! casrn:    1928-38-7
! inchikey: HWIGZMADSFQMOI-UHFFFAOYSA-N
Hvpx____1928_38_7 =  1.5E-01                                  ! [atm] type: V, ref: 3586
Hvpx____1928_38_7 =  5.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx____1928_38_7 =  3.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____1928_38_7 =  4.1E-01                                  ! [atm] type: Q, ref: 2530

! species:  (2-methyl-4-chlorophenoxy)acetic acid
! formula:  C_9H_9ClO_3
! trivial:  MCPA
! casrn:    94-74-6
! inchikey: WHKUVVPPKQRRBV-UHFFFAOYSA-N
Hvpx______94_74_6 =  5.5E-03                                  ! [atm] type: M, ref: 2972
Hvpx______94_74_6 =  7.4E-05                                  ! [atm] type: V, ref: 3586
Hvpx______94_74_6 =  1.4E-05                                  ! [atm] type: V, ref: 2614
Hvpx______94_74_6 =  5.5E-05                                  ! [atm] type: V, ref: 3090
Hvpx______94_74_6 =  9.6E-04                                  ! [atm] type: Q, ref: 3586
Hvpx______94_74_6 =  3.0E-05                                  ! [atm] type: ?, ref: 3549

! species:  $\alpha$-(2,4-dichlorophenoxy)propionic acid
! formula:  C_9H_8Cl_2O_3
! trivial:  dichloroprop
! casrn:    120-36-5
! inchikey: MZHCENGPTKEIGP-UHFFFAOYSA-N
Hvpx_____120_36_5 =  1.5E-04                                  ! [atm] type: V, ref: 2614

! species:  ($R$)-2-(2,4-dichlorophenoxy)propanoic acid
! formula:  C_9H_8Cl_2O_3
! trivial:  dichlorprop-p
! casrn:    15165-67-0
! inchikey: MZHCENGPTKEIGP-RXMQYKEDSA-N
Hvpx___15165_67_0 =  1.3E-05                                  ! [atm] type: V, ref: 2614
Hvpx___15165_67_0 =  3.1E-05                                  ! [atm] type: ?, ref: 3549

! species:  2-(2,4,5-trichlorophenoxy)propanoic acid
! formula:  C_9H_7Cl_3O_3
! trivial:  
! casrn:    93-72-1
! inchikey: ZLSWBLPERHFHIS-UHFFFAOYSA-N
Hvpx______93_72_1 =  1.4E-05                                  ! [atm] type: V, ref: 2614

! species:  cloxyfonac
! formula:  C_9H_9O_4Cl
! trivial:  
! casrn:    6386-63-6
! inchikey: ZJRUTGDCLVIVRD-UHFFFAOYSA-N
Hvpx____6386_63_6 =  5.3E-06                                  ! [atm] type: V, ref: 3586
Hvpx____6386_63_6 =  2.9E-07                                  ! [atm] type: Q, ref: 3586

! species:  tridiphane
! formula:  C_{10}H_7Cl_5O
! trivial:  
! casrn:    58138-08-2
! inchikey: IBZHOAONZVJLOB-UHFFFAOYSA-N
Hvpx___58138_08_2 =  2.8E+00                                  ! [atm] type: ?, ref: 3087

! species:  plifenat
! formula:  C_{10}H_7O_2Cl_5
! trivial:  
! casrn:    21757-82-4
! inchikey: FSGNOVKGEXRRHD-UHFFFAOYSA-N
Hvpx___21757_82_4 =  5.1E-05                                  ! [atm] type: ?, ref: 3087

! species:  chlorfenprop-methyl
! formula:  C_{10}H_{10}Cl_2O_2
! trivial:  
! casrn:    14437-17-3
! inchikey: YJKIALIXRCSISK-UHFFFAOYSA-N
Hvpx___14437_17_3 =  1.2E-01                                  ! [atm] type: ?, ref: 3766

! species:  ethyl 2,4-dichlorophenoxyethanoate
! formula:  C_{10}H_{10}Cl_2O_3
! trivial:  
! casrn:    533-23-3
! inchikey: JSLBZIVMVVHMDJ-UHFFFAOYSA-N
Hvpx_____533_23_3 =  1.8E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____533_23_3 =  1.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____533_23_3 =  4.6E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____533_23_3 =  5.1E-01                                  ! [atm] type: Q, ref: 2530

! species:  mecoprop
! formula:  C_{10}H_{11}ClO_3
! trivial:  
! casrn:    93-65-2
! inchikey: WNTGYJSOUMFZEP-UHFFFAOYSA-N
Hvpx______93_65_2 =  5.0E-05                                  ! [atm] type: V, ref: 3586
Hvpx______93_65_2 =  6.1E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx______93_65_2 =  6.1E-05                                  ! [atm] type: C, ref: 3073
Hvpx______93_65_2 =  2.1E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______93_65_2 =  3.9E-03                                  ! [atm] type: Q, ref: 3729

! species:  ($R$)-2-(4-chloro-2-methylphenoxy)propanoic acid
! formula:  C_{10}H_{11}ClO_3
! trivial:  mecoprop-p
! casrn:    16484-77-8
! inchikey: WNTGYJSOUMFZEP-SSDOTTSWSA-N
Hvpx___16484_77_8 =  5.5E-05                                  ! [atm] type: V, ref: 2614
Hvpx___16484_77_8 =  3.1E-05                                  ! [atm] type: ?, ref: 3549

! species:  dacthal
! formula:  C_{10}H_6Cl_4O_4
! trivial:  DCPA
! casrn:    1861-32-1
! inchikey: NPOJQCVWMSKXDN-UHFFFAOYSA-N
Hvpx____1861_32_1 =  1.2E-01                                  ! [atm] type: L, ref: 2965
Hvpx____1861_32_1 =  1.2E-01                                  ! [atm] type: V, ref: 3586
Hvpx____1861_32_1 =  1.2E-01                                  ! [atm] type: V, ref: 3088
Hvpx____1861_32_1 =  4.0E-03                                  ! [atm] type: Q, ref: 3586

! species:  4-(2,4-dichlorophenoxy)-butanoic acid
! formula:  C_{10}H_{10}Cl_2O_3
! trivial:  2,4-DB
! casrn:    94-82-6
! inchikey: YIVXMZJTEQBPQO-UHFFFAOYSA-N
Hvpx______94_82_6 =  1.3E-04                                  ! [atm] type: Q, ref: 3088
Hvpx______94_82_6 =  2.5E-06                                  ! [atm] type: ?, ref: 3549

! species:  dichlone
! formula:  C_{10}H_4Cl_2O_2
! trivial:  
! casrn:    117-80-6
! inchikey: SVPKNMBRVBMTLB-UHFFFAOYSA-N
Hvpx_____117_80_6 =  5.6E-05                                  ! [atm] type: Q, ref: 3088

! species:  1-[(2,3,6-trichlorophenyl)methoxy]propan-2-ol
! formula:  C_{10}H_{11}Cl_3O_2
! trivial:  tritac
! casrn:    1861-44-5
! inchikey: LJWIIRATRWPHBA-UHFFFAOYSA-N
Hvpx____1861_44_5 =  2.7E-02                                  ! [atm] type: V, ref: 3586
Hvpx____1861_44_5 =  3.2E-02                                  ! [atm] type: Q, ref: 3586

! species:  (2,4-dichlorophenoxy)-acetic acid 1-methylethyl ester
! formula:  C_{11}H_{12}Cl_2O_3
! trivial:  
! casrn:    94-11-1
! inchikey: WHOKDONDRZNCBC-UHFFFAOYSA-N
Hvpx______94_11_1 =  1.2E-01                                  ! [atm] type: V, ref: 3586
Hvpx______94_11_1 =  1.2E-01                                  ! [atm] type: V, ref: 3088
Hvpx______94_11_1 =  2.8E-01                                  ! [atm] type: Q, ref: 3586

! species:  4-(4-chloro-2-methylphenoxy)butanoic acid
! formula:  C_{11}H_{13}ClO_3
! trivial:  MCPB
! casrn:    94-81-5
! inchikey: LLWADFLAOKUBDR-UHFFFAOYSA-N
Hvpx______94_81_5 =  1.5E-04                                  ! [atm] type: V, ref: 3586
Hvpx______94_81_5 =  1.8E-04                                  ! [atm] type: V, ref: 2614
Hvpx______94_81_5 =  3.3E-04                                  ! [atm] type: Q, ref: 3586
Hvpx______94_81_5 =  1.6E-05                                  ! [atm] type: ?, ref: 3549

! species:  triclosan
! formula:  C_{12}H_7Cl_3O_2
! trivial:  
! casrn:    3380-34-5
! inchikey: XEFQLINVKFYRCS-UHFFFAOYSA-N
Hvpx____3380_34_5 =  1.2E-03                                  ! [atm] type: Q, ref: 3088
Hvpx____3380_34_5 =  2.8E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____3380_34_5 =  9.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____3380_34_5 =  3.9E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____3380_34_5 =  6.6E-04                                  ! [atm] type: Q, ref: 2995

! species:  monobutyl tetrachlorophthalate
! formula:  C_{12}H_{10}Cl_4O_4
! trivial:  
! casrn:    24261-19-6
! inchikey: WKYMTJULVAGWJM-UHFFFAOYSA-N
Hvpx___24261_19_6 =  2.7E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___24261_19_6 =  7.3E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___24261_19_6 =  1.1E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___24261_19_6 =  1.1E-05                                  ! [atm] type: Q, ref: 2995

! species:  (2,4-dichlorophenoxy)-acetic acid butyl ester
! formula:  C_{12}H_{14}Cl_2O_3
! trivial:  
! casrn:    94-80-4
! inchikey: UQMRAFJOBWOFNS-UHFFFAOYSA-N
Hvpx______94_80_4 =  2.7E-02                                  ! [atm] type: V, ref: 3586
Hvpx______94_80_4 =  2.7E-02                                  ! [atm] type: V, ref: 3088
Hvpx______94_80_4 =  9.5E-02                                  ! [atm] type: Q, ref: 3586

! species:  sucralose
! formula:  C_{12}H_{19}Cl_3O_8
! trivial:  
! casrn:    56038-13-2
! inchikey: BAQAVOSOZGMPRM-QBMZZYIRSA-N
Hvpx___56038_13_2 =  2.2E-14                                  ! [atm] type: Q, ref: 3088

! species:  endrin aldehyde
! formula:  C_{12}H_8Cl_6O
! trivial:  
! casrn:    7421-93-4
! inchikey: HCTWZIFNBBCVGM-UHFFFAOYSA-N
Hvpx____7421_93_4 =  2.3E-01                                  ! [atm] type: V, ref: 3586
Hvpx____7421_93_4 =  2.3E-01                                  ! [atm] type: V, ref: 3088
Hvpx____7421_93_4 =  1.1E-01                                  ! [atm] type: Q, ref: 3586

! species:  clorophene
! formula:  C_{13}H_{11}ClO
! trivial:  4-chloro-2-benzylphenol
! casrn:    120-32-1
! inchikey: NCKMMSIFQUPKCK-UHFFFAOYSA-N
Hvpx_____120_32_1 =  1.5E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____120_32_1 =  1.5E-04                                  ! [atm] type: V, ref: 3088
Hvpx_____120_32_1 =  8.4E-04                                  ! [atm] type: Q, ref: 3586

! species:  (4-chlorophenyl)phenylmethanone
! formula:  C_{13}H_9ClO
! trivial:  4-chlorobenzophenone
! casrn:    134-85-0
! inchikey: UGVRJVHOJNYEHR-UHFFFAOYSA-N
Hvpx_____134_85_0 =  7.7E-02                                  ! [atm] type: Q, ref: 3088

! species:  1-(4-chlorophenyl)-4,4-dimethyl-3-pentanone
! formula:  C_{13}H_{17}ClO
! trivial:  
! casrn:    66346-01-8
! inchikey: ILQGIJDYSLHIOX-UHFFFAOYSA-N
Hvpx___66346_01_8 =  5.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___66346_01_8 =  7.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___66346_01_8 =  1.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___66346_01_8 =  1.4E+00                                  ! [atm] type: Q, ref: 2995

! species:  hexachlorophene
! formula:  C_{13}H_6Cl_6O_2
! trivial:  
! casrn:    70-30-4
! inchikey: ACGUYXCXAPNIKK-UHFFFAOYSA-N
Hvpx______70_30_4 =  3.0E-08                                  ! [atm] type: Q, ref: 3088
Hvpx______70_30_4 =  4.8E-08                                  ! [atm] type: Q, ref: 2995
Hvpx______70_30_4 =  2.2E-06                                  ! [atm] type: Q, ref: 2995
Hvpx______70_30_4 =  4.5E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______70_30_4 =  8.3E-07                                  ! [atm] type: Q, ref: 2995

! species:  2,4'-dichlorobenzophenone
! formula:  C_{13}H_8Cl_2O
! trivial:  
! casrn:    85-29-0
! inchikey: YXMYPHLWXBXNFF-UHFFFAOYSA-N
Hvpx______85_29_0 =  5.9E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______85_29_0 =  8.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______85_29_0 =  1.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______85_29_0 =  8.9E-03                                  ! [atm] type: Q, ref: 2995

! species:  1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
! formula:  C_{13}H_{15}ClO
! trivial:  
! casrn:    1577-03-3
! inchikey: LXJZYHPGRKBVGF-UHFFFAOYSA-N
Hvpx____1577_03_3 =  1.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1577_03_3 =  2.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1577_03_3 =  6.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____1577_03_3 =  3.7E-01                                  ! [atm] type: Q, ref: 2995

! species:  dichlorophen
! formula:  C_{13}H_{10}Cl_2O_2
! trivial:  
! casrn:    97-23-4
! inchikey: MDNWOSOZYLHTCG-UHFFFAOYSA-N
Hvpx______97_23_4 =  6.6E-08                                  ! [atm] type: V, ref: 3088
Hvpx______97_23_4 =  6.4E-08                                  ! [atm] type: V, ref: 2614

! species:  MCPB ethyl ester
! formula:  C_{13}H_{17}ClO_3
! trivial:  
! casrn:    10443-70-6
! inchikey: XNKARWLGLZGMGX-UHFFFAOYSA-N
Hvpx___10443_70_6 =  2.7E-03                                  ! [atm] type: V, ref: 3586
Hvpx___10443_70_6 =  1.9E-01                                  ! [atm] type: Q, ref: 3586

! species:  2-chloro-9,10-anthracenedione
! formula:  C_{14}H_7ClO_2
! trivial:  
! casrn:    131-09-9
! inchikey: FPKCTSIVDAWGFA-UHFFFAOYSA-N
Hvpx_____131_09_9 =  1.3E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____131_09_9 =  8.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____131_09_9 =  4.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____131_09_9 =  1.7E-05                                  ! [atm] type: Q, ref: 2995

! species:  dicofol
! formula:  C_{14}H_9Cl_5O
! trivial:  
! casrn:    115-32-2
! inchikey: UOAMTSKGCBMZTC-UHFFFAOYSA-N
Hvpx_____115_32_2 =  1.3E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____115_32_2 =  1.3E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____115_32_2 =  5.7E-04                                  ! [atm] type: Q, ref: 3586
Hvpx_____115_32_2 =  3.1E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_32_2 =  1.8E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_32_2 =  5.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_32_2 =  1.7E-04                                  ! [atm] type: Q, ref: 2995

! species:  bis(2,4-dichlorobenzoyl)peroxide
! formula:  C_{14}H_6Cl_4O_4
! trivial:  
! casrn:    133-14-2
! inchikey: WRXCBRHBHGNNQA-UHFFFAOYSA-N
Hvpx_____133_14_2 =  5.9E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____133_14_2 =  3.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____133_14_2 =  3.3E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____133_14_2 =  1.6E-04                                  ! [atm] type: Q, ref: 2995

! species:  dipropyl tetrachlorophthalate
! formula:  C_{14}H_{14}Cl_4O_4
! trivial:  
! casrn:    6928-67-2
! inchikey: QJRSPJSHRYYBJL-UHFFFAOYSA-N
Hvpx____6928_67_2 =  1.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____6928_67_2 =  1.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____6928_67_2 =  5.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____6928_67_2 =  2.0E-02                                  ! [atm] type: Q, ref: 2995

! species:  2-(4-chlorobenzoyl)benzoic acid
! formula:  C_{14}H_9ClO_3
! trivial:  
! casrn:    85-56-3
! inchikey: YWECCEXWKFHHQJ-UHFFFAOYSA-N
Hvpx______85_56_3 =  1.6E-06                                  ! [atm] type: Q, ref: 2995
Hvpx______85_56_3 =  1.5E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______85_56_3 =  6.9E-09                                  ! [atm] type: Q, ref: 2995
Hvpx______85_56_3 =  2.6E-07                                  ! [atm] type: Q, ref: 2995

! species:  (2,4,5-trichlorophenoxy)acetic acid butoxyethanol ester
! formula:  C_{14}H_{17}Cl_3O_4
! trivial:  
! casrn:    2545-59-7
! inchikey: GLDWASBMYWLQGG-UHFFFAOYSA-N
Hvpx____2545_59_7 =  4.4E-03                                  ! [atm] type: Q, ref: 3088

! species:  (2,4-dichlorophenoxy)-acetic acid, 2-butoxyethyl ester
! formula:  C_{14}H_{18}Cl_2O_4
! trivial:  
! casrn:    1929-73-3
! inchikey: ZMWGIGHRZQTQRE-UHFFFAOYSA-N
Hvpx____1929_73_3 =  8.8E-03                                  ! [atm] type: V, ref: 3586
Hvpx____1929_73_3 =  8.9E-03                                  ! [atm] type: V, ref: 3088
Hvpx____1929_73_3 =  9.1E-03                                  ! [atm] type: Q, ref: 3586

! species:  1-chloro-9,10-anthracenedione
! formula:  C_{14}H_7ClO_2
! trivial:  1-chloroanthraquinone
! casrn:    82-44-0
! inchikey: BOCJQSFSGAZAPQ-UHFFFAOYSA-N
Hvpx______82_44_0 =  1.3E-03                                  ! [atm] type: Q, ref: 3627
Hvpx______82_44_0 =  1.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  chlorflurenol methyl
! formula:  C_{15}H_{11}ClO_3
! trivial:  
! casrn:    2536-31-4
! inchikey: LINPVWIEWJTEEJ-UHFFFAOYSA-N
Hvpx____2536_31_4 =  4.3E-04                                  ! [atm] type: ?, ref: 3766

! species:  4,4'-(1-methylethylidene)bis(2,6-dichlorophenol)
! formula:  C_{15}H_{12}Cl_4O_2
! trivial:  2,2',6,6'-tetrachlorobisphenol A
! casrn:    79-95-8
! inchikey: KYPYTERUKNKOLP-UHFFFAOYSA-N
Hvpx______79_95_8 =  1.5E-07                                  ! [atm] type: Q, ref: 3088

! species:  diclofop
! formula:  C_{15}H_{12}Cl_2O_4
! trivial:  
! casrn:    40843-25-2
! inchikey: OOLBCHYXZDXLDS-UHFFFAOYSA-N
Hvpx___40843_25_2 =  5.9E-07                                  ! [atm] type: ?, ref: 3766

! species:  methoxychlor
! formula:  C_{16}H_{15}Cl_3O_2
! trivial:  
! casrn:    72-43-5
! inchikey: IAKOZHOLGAGEJT-UHFFFAOYSA-N
Hvpx______72_43_5 =  1.1E-02                                  ! [atm] type: M, ref: 1195
Hvpx______72_43_5 =  5.5E-01                                  ! [atm] type: V, ref: 2614
Hvpx______72_43_5 =  1.4E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______72_43_5 =  9.9E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______72_43_5 =  2.0E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______72_43_5 =  8.6E-02                                  ! [atm] type: Q, ref: 2530
Hvpx______72_43_5 =  1.1E-02                                  ! [atm] type: ?, ref: 3586

! species:  diclofop-methyl
! formula:  C_{16}H_{14}Cl_2O_4
! trivial:  
! casrn:    51338-27-3
! inchikey: BACHBFVBHLGWSL-UHFFFAOYSA-N
Hvpx___51338_27_3 =  1.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx___51338_27_3 =  1.1E-01                                  ! [atm] type: V, ref: 2614
Hvpx___51338_27_3 =  4.1E-03                                  ! [atm] type: Q, ref: 3586
Hvpx___51338_27_3 =  2.1E-03                                  ! [atm] type: Q, ref: 3088
Hvpx___51338_27_3 =  5.7E-03                                  ! [atm] type: ?, ref: 3549

! species:  chlorobenzilate
! formula:  C_{16}H_{14}Cl_2O_3
! trivial:  
! casrn:    510-15-6
! inchikey: RAPBNVDSDCTNRC-UHFFFAOYSA-N
Hvpx_____510_15_6 =  4.0E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____510_15_6 =  2.1E-03                                  ! [atm] type: ?, ref: 3087

! species:  (2,4-dichlorophenoxy)-acetic acid 2-ethylhexyl ester
! formula:  C_{16}H_{22}Cl_2O_3
! trivial:  
! casrn:    1928-43-4
! inchikey: QZSFJRIWRPJUOH-UHFFFAOYSA-N
Hvpx____1928_43_4 =  1.0E+00                                  ! [atm] type: X, ref: macbean2012
Hvpx____1928_43_4 =  9.9E-01                                  ! [atm] type: ?, ref: 3549

! species:  (2,4-dichlorophenoxy)-acetic acid, isooctyl ester
! formula:  C_{16}H_{22}Cl_2O_3
! trivial:  
! casrn:    25168-26-7
! inchikey: BBPLSOGERZQYQC-UHFFFAOYSA-N
Hvpx___25168_26_7 =  5.3E+00                                  ! [atm] type: V, ref: 3586
Hvpx___25168_26_7 =  1.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___25168_26_7 =  3.2E+00                                  ! [atm] type: Q, ref: 3088

! species:  mecoprop-2-butoxyethyl ester
! formula:  C_{16}H_{23}ClO_4
! trivial:  
! casrn:    23359-62-8
! inchikey: GWFGUAFFJVHZKY-UHFFFAOYSA-N
Hvpx___23359_62_8 =  1.1E-01                                  ! [atm] type: ?, ref: 3766

! species:  chloropropylate
! formula:  C_{17}H_{16}Cl_2O_3
! trivial:  
! casrn:    5836-10-2
! inchikey: AXGUBXVWZBFQGA-UHFFFAOYSA-N
Hvpx____5836_10_2 =  4.4E-04                                  ! [atm] type: V, ref: 3088
Hvpx____5836_10_2 =  5.4E-03                                  ! [atm] type: ?, ref: 3087

! species:  MCPA-2-ethylhexyl ester
! formula:  C_{17}H_{25}ClO_3
! trivial:  
! casrn:    29450-45-1
! inchikey: IDGRPSMONFWWEK-UHFFFAOYSA-N
Hvpx___29450_45_1 =  2.4E+00                                  ! [atm] type: ?, ref: 3766

! species:  1-(2-(2-chloroethoxy)ethoxy)-4-(1,1,3,3-tetramethylbutyl)benzene
! formula:  C_{18}H_{29}ClO_2
! trivial:  
! casrn:    65925-28-2
! inchikey: FITQCDWGUKECBJ-UHFFFAOYSA-N
Hvpx___65925_28_2 =  1.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___65925_28_2 =  3.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___65925_28_2 =  1.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___65925_28_2 =  6.5E+00                                  ! [atm] type: Q, ref: 2995

! species:  fenofibrate
! formula:  C_{20}H_{21}ClO_4
! trivial:  
! casrn:    49562-28-9
! inchikey: YMTINGFKWWXKFG-UHFFFAOYSA-N
Hvpx___49562_28_9 =  2.5E-04                                  ! [atm] type: Q, ref: 3088

! species:  indanofan
! formula:  C_{20}H_{17}O_3Cl
! trivial:  
! casrn:    133220-30-1
! inchikey: PMAAYIYCDXGUAP-UHFFFAOYSA-N
Hvpx__133220_30_1 =  3.5E-05                                  ! [atm] type: V, ref: 3586
Hvpx__133220_30_1 =  1.0E-04                                  ! [atm] type: Q, ref: 3586

! species:  spirodiclofen
! formula:  C_{21}H_{24}Cl_2O_4
! trivial:  
! casrn:    148477-71-8
! inchikey: DTDSAWVUFPGDMX-UHFFFAOYSA-N
Hvpx__148477_71_8 =  3.2E-03                                  ! [atm] type: V, ref: 3088
Hvpx__148477_71_8 =  1.1E-03                                  ! [atm] type: ?, ref: 3549

! species:  permethrin
! formula:  C_{21}H_{20}Cl_2O_3
! trivial:  
! casrn:    52645-53-1
! inchikey: RLLPVAHGXHCWKJ-UHFFFAOYSA-N
Hvpx___52645_53_1 =  1.0E-01                                  ! [atm] type: V, ref: 3586
Hvpx___52645_53_1 =  1.3E-01                                  ! [atm] type: V, ref: 3088
Hvpx___52645_53_1 =  6.1E-02                                  ! [atm] type: V, ref: 2614
Hvpx___52645_53_1 =  4.5E-02                                  ! [atm] type: Q, ref: 3586

! species:  chlorophacinone
! formula:  C_{23}H_{15}ClO_3
! trivial:  
! casrn:    3691-35-8
! inchikey: UDHXJZHVNHGCEC-UHFFFAOYSA-N
Hvpx____3691_35_8 =  2.0E-07                                  ! [atm] type: V, ref: 3586
Hvpx____3691_35_8 =  1.3E-05                                  ! [atm] type: Q, ref: 3586

! species:  chlormadinone acetate
! formula:  C_{23}H_{29}ClO_4
! trivial:  
! casrn:    302-22-7
! inchikey: QMBJSIBWORFWQT-UHFFFAOYSA-N
Hvpx_____302_22_7 =  3.1E-05                                  ! [atm] type: Q, ref: 3088

! species:  3,4,5,6-tetrachlorophthalic acid bis(2-ethylhexyl) ester
! formula:  C_{24}H_{34}Cl_4O_4
! trivial:  
! casrn:    34832-88-7
! inchikey: BELGUQVGZMFEAQ-UHFFFAOYSA-N
Hvpx___34832_88_7 =  2.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___34832_88_7 =  2.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___34832_88_7 =  5.3E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___34832_88_7 =  1.6E-01                                  ! [atm] type: Q, ref: 2995

! species:  endosulfan alcohol
! formula:  C_9H_8Cl_6O_2
! trivial:  
! casrn:    2157-19-9
! inchikey: GTSJHTSVFKEASK-UHFFFAOYSA-N
Hvpx____2157_19_9 =  7.1E-05                                  ! [atm] type: Q, ref: 2995
Hvpx____2157_19_9 =  1.8E-07                                  ! [atm] type: Q, ref: 2995
Hvpx____2157_19_9 =  4.2E-06                                  ! [atm] type: Q, ref: 2995
Hvpx____2157_19_9 =  3.0E-06                                  ! [atm] type: Q, ref: 2995

! species:  chlorendic anhydride
! formula:  C_9H_2Cl_6O_3
! trivial:  
! casrn:    115-27-5
! inchikey: FLBJFXNAEMSXGL-UHFFFAOYSA-N
Hvpx_____115_27_5 =  4.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_27_5 =  1.8E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_27_5 =  3.7E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_27_5 =  1.4E-08                                  ! [atm] type: Q, ref: 2995

! species:  1,4,5,6,7,7-hexachloro-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
! formula:  C_9H_4Cl_6O_4
! trivial:  
! casrn:    115-28-6
! inchikey: DJKGDNKYTKCJKD-UHFFFAOYSA-N
Hvpx_____115_28_6 =  1.7E-09                                  ! [atm] type: Q, ref: 3088
Hvpx_____115_28_6 =  1.7E-09                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_28_6 =  1.7E-10                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_28_6 =  1.4E-10                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_28_6 =  7.4E-09                                  ! [atm] type: Q, ref: 2995

! species:  heptachlorepoxide
! formula:  C_{10}H_5Cl_7O
! trivial:  
! casrn:    1024-57-3
! inchikey: ZXFXBSWRVIQKOD-UHFFFAOYSA-N
Hvpx____1024_57_3 =  1.1E+00                                  ! [atm] type: L, ref: 2948
Hvpx____1024_57_3 =  9.3E-01                                  ! [atm] type: L, ref: 2948
Hvpx____1024_57_3 =  5.7E-01                                  ! [atm] type: M, ref: 3404
Hvpx____1024_57_3 =  1.1E+00 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx____1024_57_3 =  1.2E+00                                  ! [atm] type: M, ref: 1195
Hvpx____1024_57_3 =  1.8E+00                                  ! [atm] type: M, ref: 2900
Hvpx____1024_57_3 =  1.0E+00                                  ! [atm] type: C, ref: 2521
Hvpx____1024_57_3 =  4.3E-02                                  ! [atm] type: C, ref: 2235
Hvpx____1024_57_3 =  1.8E+00                                  ! [atm] type: C, ref: 3083
Hvpx____1024_57_3 =  8.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx____1024_57_3 =  7.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx____1024_57_3 =  7.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx____1024_57_3 =  1.0E-01                                  ! [atm] type: Q, ref: 2530
Hvpx____1024_57_3 =  1.2E+00                                  ! [atm] type: ?, ref: 3586

! species:  dieldrin
! formula:  C_{12}H_8OCl_6
! trivial:  
! casrn:    60-57-1
! inchikey: DFBKLUNHFCTMDC-NLUYNBKHSA-N
Hvpx______60_57_1 =  5.5E-01                                  ! [atm] type: L, ref: 2948
Hvpx______60_57_1 =  6.0E-01                                  ! [atm] type: L, ref: 2948
Hvpx______60_57_1 =  6.0E-01                                  ! [atm] type: L, ref: 479
Hvpx______60_57_1 =  8.4E-01                                  ! [atm] type: M, ref: 3404
Hvpx______60_57_1 =  6.0E-01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx______60_57_1 =  5.6E-01                                  ! [atm] type: M, ref: 1195
Hvpx______60_57_1 =  1.6E+00                                  ! [atm] type: M, ref: 2465
Hvpx______60_57_1 =  3.2E+00                                  ! [atm] type: M, ref: 2900
Hvpx______60_57_1 =  6.1E-01                                  ! [atm] type: V, ref: 2614
Hvpx______60_57_1 =  6.1E-01                                  ! [atm] type: V, ref: 1157
Hvpx______60_57_1 =  1.1E-02                                  ! [atm] type: V, ref: 2471
Hvpx______60_57_1 =  6.2E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx______60_57_1 =  3.2E+00                                  ! [atm] type: C, ref: 2521
Hvpx______60_57_1 =  1.1E-02                                  ! [atm] type: C, ref: 1157
Hvpx______60_57_1 =  2.5E-02                                  ! [atm] type: C, ref: 1157
Hvpx______60_57_1 =  5.6E-01                                  ! [atm] type: C, ref: 1157
Hvpx______60_57_1 =  3.2E+00                                  ! [atm] type: C, ref: 1157
Hvpx______60_57_1 =  1.2E+01                                  ! [atm] type: C, ref: 1157
Hvpx______60_57_1 =  4.1E-01                                  ! [atm] type: C, ref: 2235
Hvpx______60_57_1 =  3.2E+00                                  ! [atm] type: C, ref: 3083
Hvpx______60_57_1 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx______60_57_1 =  7.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______60_57_1 =  7.4E+02                                  ! [atm] type: Q, ref: 3729
Hvpx______60_57_1 =  4.8E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______60_57_1 =  2.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______60_57_1 =  5.5E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______60_57_1 =  4.5E-01                                  ! [atm] type: ?, ref: 3087
Hvpx______60_57_1 =  9.5E-03                                  ! [atm] type: ?, ref: 695

! species:  endrin
! formula:  C_{12}H_8Cl_6O
! trivial:  
! casrn:    72-20-8
! inchikey: DFBKLUNHFCTMDC-GKRDHZSOSA-N
Hvpx______72_20_8 =  3.5E-01                                  ! [atm] type: L, ref: 2948
Hvpx______72_20_8 =  6.0E-01                                  ! [atm] type: L, ref: 2948
Hvpx______72_20_8 =  3.7E-01                                  ! [atm] type: M, ref: 3404
Hvpx______72_20_8 =  3.0E-01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx______72_20_8 =  3.5E-01                                  ! [atm] type: M, ref: 1195
Hvpx______72_20_8 =  1.8E-02                                  ! [atm] type: V, ref: 2614
Hvpx______72_20_8 =  1.8E-02                                  ! [atm] type: V, ref: 1157
Hvpx______72_20_8 =  9.8E-05                                  ! [atm] type: C, ref: 1157
Hvpx______72_20_8 =  2.3E-02                                  ! [atm] type: C, ref: 2235
Hvpx______72_20_8 =  4.6E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______72_20_8 =  7.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______72_20_8 =  4.8E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______72_20_8 =  2.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx______72_20_8 =  3.5E-01                                  ! [atm] type: ?, ref: 3586

! species:  1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester
! formula:  C_{17}H_{20}Cl_6O_4
! trivial:  
! casrn:    1770-80-5
! inchikey: UJAHPBDUQZFDLA-UHFFFAOYSA-N
Hvpx____1770_80_5 =  9.4E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____1770_80_5 =  3.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____1770_80_5 =  1.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____1770_80_5 =  6.8E-04                                  ! [atm] type: Q, ref: 2995

! species:  di-2-ethylhexyl chlorendate
! formula:  C_{25}H_{36}Cl_6O_4
! trivial:  
! casrn:    4827-55-8
! inchikey: ONIHOIFWLALAQH-UHFFFAOYSA-N
Hvpx____4827_55_8 =  9.2E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____4827_55_8 =  2.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____4827_55_8 =  1.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____4827_55_8 =  3.4E-03                                  ! [atm] type: Q, ref: 2995

! species:  2-chlorodiphenyl ether
! formula:  C_{12}H_9ClO
! trivial:  PCDE-1
! casrn:    2689-07-8
! inchikey: IPBRZLMGGXHHMS-UHFFFAOYSA-N
Hvpx____2689_07_8 =  1.8E+01                                  ! [atm] type: V, ref: 1096

! species:  3-chlorodiphenyl ether
! formula:  C_{12}H_9ClO
! trivial:  PCDE-2
! casrn:    6452-49-9
! inchikey: BMURONZFJJPAOK-UHFFFAOYSA-N
Hvpx____6452_49_9 =  4.4E+00                                  ! [atm] type: V, ref: 1096
Hvpx____6452_49_9 =  2.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx____6452_49_9 =  1.8E+00                                  ! [atm] type: Q, ref: 2530

! species:  4-chlorodiphenyl ether
! formula:  C_{12}H_9ClO
! trivial:  PCDE-3
! casrn:    7005-72-3
! inchikey: PGPNJCAMHOJTEF-UHFFFAOYSA-N
Hvpx____7005_72_3 =  5.0E+00                                  ! [atm] type: V, ref: 1096
Hvpx____7005_72_3 =  1.2E+01                                  ! [atm] type: V, ref: 635
Hvpx____7005_72_3 =  6.0E+00                                  ! [atm] type: X, ref: howard97
Hvpx____7005_72_3 =  1.4E+01                                  ! [atm] type: C, ref: 2235
Hvpx____7005_72_3 =  1.8E+01                                  ! [atm] type: Q, ref: 2521

! species:  2,3-dichlorodiphenyl ether
! formula:  C_{12}H_8Cl_2O
! trivial:  PCDE-5
! casrn:    68486-28-2
! inchikey: VSKSUBSGORDMQX-UHFFFAOYSA-N
Hvpx___68486_28_2 =  2.3E+00                                  ! [atm] type: V, ref: 1096

! species:  2,4-dichlorodiphenyl ether
! formula:  C_{12}H_8Cl_2O
! trivial:  PCDE-7
! casrn:    51892-26-3
! inchikey: KXIPYLZZJZMMPD-UHFFFAOYSA-N
Hvpx___51892_26_3 =  2.9E+00                                  ! [atm] type: V, ref: 1096

! species:  2,4'-dichlorodiphenyl ether
! formula:  C_{12}H_8Cl_2O
! trivial:  PCDE-8
! casrn:    6903-65-7
! inchikey: MWKULKMSBBSGTP-UHFFFAOYSA-N
Hvpx____6903_65_7 =  1.7E+01                                  ! [atm] type: V, ref: 1096

! species:  2,5-dichlorodiphenyl ether
! formula:  C_{12}H_8Cl_2O
! trivial:  PCDE-9
! casrn:    24910-69-8
! inchikey: VITXVDNQHXYQSK-UHFFFAOYSA-N
Hvpx___24910_69_8 =  6.9E+00                                  ! [atm] type: V, ref: 1096

! species:  2,6-dichlorodiphenyl ether
! formula:  C_{12}H_8Cl_2O
! trivial:  PCDE-10
! casrn:    28419-69-4
! inchikey: IRLZOQDGEAEIPX-UHFFFAOYSA-N
Hvpx___28419_69_4 =  1.1E+01                                  ! [atm] type: V, ref: 1096

! species:  3,4-dichlorodiphenyl ether
! formula:  C_{12}H_8Cl_2O
! trivial:  PCDE-12
! casrn:    55538-69-7
! inchikey: QFQLZVAAQOJUFS-UHFFFAOYSA-N
Hvpx___55538_69_7 =  5.0E+00                                  ! [atm] type: V, ref: 1096

! species:  3,4'-dichlorodiphenyl ether
! formula:  C_{12}H_8Cl_2O
! trivial:  PCDE-13
! casrn:    6842-62-2
! inchikey: HPRGYUWRGCTBAV-UHFFFAOYSA-N
Hvpx____6842_62_2 =  4.3E+00                                  ! [atm] type: V, ref: 1096

! species:  3,5-dichlorodiphenyl ether
! formula:  C_{12}H_8Cl_2O
! trivial:  PCDE-14
! casrn:    24910-68-7
! inchikey: LEKOWSSKXYFERR-UHFFFAOYSA-N
Hvpx___24910_68_7 =  8.5E+00                                  ! [atm] type: V, ref: 1096

! species:  4,4'-dichlorodiphenyl ether
! formula:  C_{12}H_8Cl_2O
! trivial:  PCDE-15
! casrn:    2444-89-5
! inchikey: URUJZHZLCCIILC-UHFFFAOYSA-N
Hvpx____2444_89_5 =  2.6E+00                                  ! [atm] type: V, ref: 1096

! species:  2,2',4-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-17
! casrn:    68914-97-6
! inchikey: YXMNUPKWUMIZAV-UHFFFAOYSA-N
Hvpx___68914_97_6 =  1.2E+00                                  ! [atm] type: V, ref: 1096

! species:  2,3,4-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-21
! casrn:    85918-32-7
! inchikey: ANKBTLMYMVMWBS-UHFFFAOYSA-N
Hvpx___85918_32_7 =  2.0E+00                                  ! [atm] type: V, ref: 1096

! species:  2,3,4'-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-22
! casrn:    157683-71-1
! inchikey: KOTNFWJIMRGVBR-UHFFFAOYSA-N
Hvpx__157683_71_1 =  1.7E+00                                  ! [atm] type: V, ref: 1096

! species:  2,3,5-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-23
! casrn:    162853-24-9
! inchikey: MDSPKCWGOVVFJD-UHFFFAOYSA-N
Hvpx__162853_24_9 =  2.5E+00                                  ! [atm] type: V, ref: 1096

! species:  2,3,6-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-24
! casrn:    162853-25-0
! inchikey: RQSRPDGSUDRYLH-UHFFFAOYSA-N
Hvpx__162853_25_0 =  1.9E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3',4-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-25
! casrn:    155999-93-2
! inchikey: BJFOCMRBCBZFJT-UHFFFAOYSA-N
Hvpx__155999_93_2 =  3.6E+00                                  ! [atm] type: V, ref: 1096

! species:  2,4,4'-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-28
! casrn:    59039-21-3
! inchikey: PIORTDHJOLELKR-UHFFFAOYSA-N
Hvpx___59039_21_3 =  1.9E+01                                  ! [atm] type: V, ref: 1096

! species:  2,4,5-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-29
! casrn:    52322-80-2
! inchikey: UWKZWXCTDPYXHU-UHFFFAOYSA-N
Hvpx___52322_80_2 =  6.1E+01                                  ! [atm] type: V, ref: 1096

! species:  2,4,6-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-30
! casrn:    63646-52-6
! inchikey: WXLQUFLKMICSSY-UHFFFAOYSA-N
Hvpx___63646_52_6 =  3.9E+01                                  ! [atm] type: V, ref: 1096

! species:  2,4',5-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-31
! casrn:    65075-00-5
! inchikey: FZBSTAVCYOMFMD-UHFFFAOYSA-N
Hvpx___65075_00_5 =  3.4E+00                                  ! [atm] type: V, ref: 1096

! species:  2,4',6-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-32
! casrn:    157683-72-2
! inchikey: ZMRFCSWFCKICQE-UHFFFAOYSA-N
Hvpx__157683_72_2 =  1.3E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3',4'-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-33
! casrn:    61328-44-7
! inchikey: VBNJGYOQZAENPO-UHFFFAOYSA-N
Hvpx___61328_44_7 =  1.6E+00                                  ! [atm] type: V, ref: 1096

! species:  3,3',4-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-35
! casrn:    66794-60-3
! inchikey: BUKLLCIUMZELOH-UHFFFAOYSA-N
Hvpx___66794_60_3 =  2.4E+00                                  ! [atm] type: V, ref: 1096

! species:  3,4,4'-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-37
! casrn:    63646-51-5
! inchikey: FTZDEZOARSJHGU-UHFFFAOYSA-N
Hvpx___63646_51_5 =  3.4E+00                                  ! [atm] type: V, ref: 1096

! species:  3,4,5-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-38
! casrn:    63646-53-7
! inchikey: ZQCCHNBMSHOJAT-UHFFFAOYSA-N
Hvpx___63646_53_7 =  6.0E+01                                  ! [atm] type: V, ref: 1096

! species:  3,4',5-trichlorodiphenyl ether
! formula:  C_{12}H_7Cl_3O
! trivial:  PCDE-39
! casrn:    24910-73-4
! inchikey: CCEZFZGXWFJQEF-UHFFFAOYSA-N
Hvpx___24910_73_4 =  3.4E+00                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-41
! casrn:    220002-37-9
! inchikey: VTTDWGUAWMLHPR-UHFFFAOYSA-N
Hvpx__220002_37_9 =  9.9E+00                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4'-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-42
! casrn:    147102-63-4
! inchikey: UYVBJPIPRAJEKW-UHFFFAOYSA-N
Hvpx__147102_63_4 =  9.5E+00                                  ! [atm] type: V, ref: 1096

! species:  2,2',4,4'-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-47
! casrn:    28076-73-5
! inchikey: ZRWRPGGXCSSBAO-UHFFFAOYSA-N
Hvpx___28076_73_5 =  1.9E+01                                  ! [atm] type: V, ref: 1096
Hvpx___28076_73_5 =  1.9E+00                                  ! [atm] type: Q, ref: 3088

! species:  2,2',4,5-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-48
! casrn:    162853-26-1
! inchikey: DRVAMLZVBNYSQE-UHFFFAOYSA-N
Hvpx__162853_26_1 =  3.4E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',4,5'-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-49
! casrn:    155999-92-1
! inchikey: XIXPEFLLHQAIOY-UHFFFAOYSA-N
Hvpx__155999_92_1 =  2.1E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,3',4-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-55
! casrn:    220002-39-1
! inchikey: IZISEKJPNSBPRX-UHFFFAOYSA-N
Hvpx__220002_39_1 =  2.3E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,3',4'-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-56
! casrn:    162853-27-2
! inchikey: JVFGXWCLGNACOG-UHFFFAOYSA-N
Hvpx__162853_27_2 =  1.3E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,4,4'-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-60
! casrn:    65075-01-6
! inchikey: ZPOBHUZRVVTGKB-UHFFFAOYSA-N
Hvpx___65075_01_6 =  1.5E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,4,5-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-61
! casrn:    220002-40-4
! inchikey: QAPPZLVGIXQUJW-UHFFFAOYSA-N
Hvpx__220002_40_4 =  8.3E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,4,6-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-62
! casrn:    85918-33-8
! inchikey: WJZPRRFFZWVZJL-UHFFFAOYSA-N
Hvpx___85918_33_8 =  6.0E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,4',5-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-63
! casrn:    220002-41-5
! inchikey: YHQRYZGDQCSHFO-UHFFFAOYSA-N
Hvpx__220002_41_5 =  3.7E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,4',6-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-64
! casrn:    220002-42-6
! inchikey: HJCNTJIMUWQMSA-UHFFFAOYSA-N
Hvpx__220002_42_6 =  1.4E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,5,6-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-65
! casrn:    63646-54-8
! inchikey: UFGXCDQXRUFDMA-UHFFFAOYSA-N
Hvpx___63646_54_8 =  5.9E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3',4,4'-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-66
! casrn:    61328-46-9
! inchikey: CAWSVYYOUZEMHA-UHFFFAOYSA-N
Hvpx___61328_46_9 =  2.2E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3',4,5-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-67
! casrn:    152833-52-8
! inchikey: QDQGECFQVPRMEO-UHFFFAOYSA-N
Hvpx__152833_52_8 =  6.1E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3',4,5'-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-68
! casrn:    147102-64-5
! inchikey: XORVNHCKWFPDLN-UHFFFAOYSA-N
Hvpx__147102_64_5 =  5.5E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3',4',5-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-70
! casrn:    159553-67-0
! inchikey: MFTPXFIGIJCNJM-UHFFFAOYSA-N
Hvpx__159553_67_0 =  3.1E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3',4',6-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-71
! casrn:    130892-66-9
! inchikey: IZZULMOBRTYHMH-UHFFFAOYSA-N
Hvpx__130892_66_9 =  1.2E+01                                  ! [atm] type: V, ref: 1096

! species:  2,4,4',5-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-74
! casrn:    61328-45-8
! inchikey: KXOJXWNARBQHNX-UHFFFAOYSA-N
Hvpx___61328_45_8 =  2.9E+01                                  ! [atm] type: V, ref: 1096

! species:  2,4,4',6-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-75
! casrn:    63553-30-0
! inchikey: YCWRSOTXXJYCKF-UHFFFAOYSA-N
Hvpx___63553_30_0 =  3.3E+01                                  ! [atm] type: V, ref: 1096

! species:  3,3',4,4'-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-77
! casrn:    56348-72-2
! inchikey: DHLVZXZRIZBPKG-UHFFFAOYSA-N
Hvpx___56348_72_2 =  1.3E+01                                  ! [atm] type: V, ref: 1096

! species:  3,3',4,5'-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-79
! casrn:    552884-22-7
! inchikey: BUPRSRBWDJVKGG-UHFFFAOYSA-N
Hvpx__552884_22_7 =  5.2E+01                                  ! [atm] type: V, ref: 1096

! species:  3,4,4',5-tetrachlorodiphenyl ether
! formula:  C_{12}H_6Cl_4O
! trivial:  PCDE-81
! casrn:    62615-07-0
! inchikey: CAUBBRCOHHHCNG-UHFFFAOYSA-N
Hvpx___62615_07_0 =  3.7E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,3',4-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-82
! casrn:    160282-10-0
! inchikey: ABRDPORILGADAP-UHFFFAOYSA-N
Hvpx__160282_10_0 =  6.6E+00                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4,4'-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-85
! casrn:    71585-37-0
! inchikey: RSBUDFTVQYJNHK-UHFFFAOYSA-N
Hvpx___71585_37_0 =  1.0E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4,5'-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-87
! casrn:    160282-09-7
! inchikey: SCLCXTQIVCULDR-UHFFFAOYSA-N
Hvpx__160282_09_7 =  2.5E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4,6'-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-89
! casrn:    85918-35-0
! inchikey: JGXAONSRHOSPTJ-UHFFFAOYSA-N
Hvpx___85918_35_0 =  8.5E+00                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4',5-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-90
! casrn:    157683-73-3
! inchikey: QPEBRZQSEUOWPA-UHFFFAOYSA-N
Hvpx__157683_73_3 =  3.5E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4',6-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-91
! casrn:    116995-20-1
! inchikey: BRNKJDZWZYZVNM-UHFFFAOYSA-N
Hvpx__116995_20_1 =  1.4E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4',5'-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-97
! casrn:    160282-08-6
! inchikey: ABYZYVAIOYICJQ-UHFFFAOYSA-N
Hvpx__160282_08_6 =  1.6E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',4,4',5-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-99
! casrn:    60123-64-0
! inchikey: AVURWLKSFZBANQ-UHFFFAOYSA-N
Hvpx___60123_64_0 =  3.0E+01                                  ! [atm] type: V, ref: 1096
Hvpx___60123_64_0 =  1.4E+01 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143

! species:  2,2',4,4',6-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-100
! casrn:    104294-16-8
! inchikey: FONWDRSQXQZNBN-UHFFFAOYSA-N
Hvpx__104294_16_8 =  2.6E+01                                  ! [atm] type: V, ref: 1096
Hvpx__104294_16_8 =  4.1E+01 * EXP(  -5800.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143

! species:  2,2',4,5,5'-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-101
! casrn:    131138-21-1
! inchikey: MKIAKZAWONVRFF-UHFFFAOYSA-N
Hvpx__131138_21_1 =  3.4E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',4,5,6'-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-102
! casrn:    130892-67-0
! inchikey: BOJBTUWEQMUWHT-UHFFFAOYSA-N
Hvpx__130892_67_0 =  1.5E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,3',4,4'-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-105
! casrn:    85918-31-6
! inchikey: PKEGIXYNAGGYPN-UHFFFAOYSA-N
Hvpx___85918_31_6 =  1.3E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,3',4,5'-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-108
! casrn:    160282-07-5
! inchikey: HCTKORQPUZCIAO-UHFFFAOYSA-N
Hvpx__160282_07_5 =  3.7E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,3',4,6-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-109
! casrn:    727738-64-9
! inchikey: SEIXDCGLHKOBEO-UHFFFAOYSA-N
Hvpx__727738_64_9 =  4.0E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,3',4',6-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-110
! casrn:    159553-69-2
! inchikey: KASGFDPQAMDPAZ-UHFFFAOYSA-N
Hvpx__159553_69_2 =  1.5E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,4,4',5-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-114
! casrn:    113464-17-8
! inchikey: WSTVMACYLXUQIM-UHFFFAOYSA-N
Hvpx__113464_17_8 =  4.4E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,4,4',6-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-115
! casrn:    160282-05-3
! inchikey: LUNNFBBTEHRYMW-UHFFFAOYSA-N
Hvpx__160282_05_3 =  4.8E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,4,5,6-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-116
! casrn:    22274-42-6
! inchikey: JDWOFUWJURZFFF-UHFFFAOYSA-N
Hvpx___22274_42_6 =  8.3E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,4',5,6-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-117
! casrn:    63646-55-9
! inchikey: UETIKWAWMZLQQZ-UHFFFAOYSA-N
Hvpx___63646_55_9 =  5.0E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3',4,4',5-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-118
! casrn:    60123-65-1
! inchikey: NRAVUGAGYOBXIG-UHFFFAOYSA-N
Hvpx___60123_65_1 =  3.5E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3',4,4',6-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-119
! casrn:    157683-74-4
! inchikey: POOXVKSDWCXIBU-UHFFFAOYSA-N
Hvpx__157683_74_4 =  4.1E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3',4,5,5'-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-120
! casrn:    160282-04-2
! inchikey: XIFRTJZLSYOLIU-UHFFFAOYSA-N
Hvpx__160282_04_2 =  1.1E+02                                  ! [atm] type: V, ref: 1096

! species:  2,3',4,4',5'-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-123
! casrn:    160282-06-4
! inchikey: BUAXMSGDEZZOJD-UHFFFAOYSA-N
Hvpx__160282_06_4 =  4.0E+01                                  ! [atm] type: V, ref: 1096

! species:  3,3',4,4',5-pentachlorodiphenyl ether
! formula:  C_{12}H_5Cl_5O
! trivial:  PCDE-126
! casrn:    94339-59-0
! inchikey: WDBLKMRZRGLISL-UHFFFAOYSA-N
Hvpx___94339_59_0 =  5.5E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,3',4,4'-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-128
! casrn:    71585-39-2
! inchikey: GSWMXIIUDJOXNF-UHFFFAOYSA-N
Hvpx___71585_39_2 =  6.6E+00                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,3',4,5'-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-130
! casrn:    76621-14-2
! inchikey: JTEWACHFMNTRBB-UHFFFAOYSA-N
Hvpx___76621_14_2 =  3.6E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,3',4,6'-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-132
! casrn:    124076-66-0
! inchikey: YDVYLSIVXYLBBX-UHFFFAOYSA-N
Hvpx__124076_66_0 =  8.9E+00                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4,4',5-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-137
! casrn:    71585-38-1
! inchikey: LDPJEMNNPDFBCQ-UHFFFAOYSA-N
Hvpx___71585_38_1 =  3.0E+01                                  ! [atm] type: V, ref: 1096
Hvpx___71585_38_1 =  2.9E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143

! species:  2,2',3,4,4',5'-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-138
! casrn:    71585-36-9
! inchikey: PHSJJYZIFPWCLZ-UHFFFAOYSA-N
Hvpx___71585_36_9 =  1.9E+01                                  ! [atm] type: V, ref: 1096
Hvpx___71585_36_9 =  2.0E+01 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143

! species:  2,2',3,4,4',6-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-139
! casrn:    106220-83-1
! inchikey: BIWCEXHDIQZFHI-UHFFFAOYSA-N
Hvpx__106220_83_1 =  5.6E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4,4',6'-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-140
! casrn:    106220-82-0
! inchikey: XDAOZRZWYVKIAK-UHFFFAOYSA-N
Hvpx__106220_82_0 =  1.9E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4',5,5'-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-146
! casrn:    162853-28-3
! inchikey: SFTBUGPDOJDENF-UHFFFAOYSA-N
Hvpx__162853_28_3 =  5.3E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4',5,6-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-147
! casrn:    116995-18-7
! inchikey: DIBYIHMYEPMGKC-UHFFFAOYSA-N
Hvpx__116995_18_7 =  5.5E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4',5',6-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-149
! casrn:    85918-37-2
! inchikey: RDKSFIZNZGWNLA-UHFFFAOYSA-N
Hvpx___85918_37_2 =  1.8E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',4,4',5,5'-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-153
! casrn:    71859-30-8
! inchikey: PECXRRMHOQBOIE-UHFFFAOYSA-N
Hvpx___71859_30_8 =  4.3E+01                                  ! [atm] type: V, ref: 1096
Hvpx___71859_30_8 =  5.1E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143

! species:  2,2',4,4',5,6'-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-154
! casrn:    106220-81-9
! inchikey: XKQUAQGQLZDDBV-UHFFFAOYSA-N
Hvpx__106220_81_9 =  3.9E+01                                  ! [atm] type: V, ref: 1096
Hvpx__106220_81_9 =  1.3E+02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143

! species:  2,3,3',4,4',5-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-156
! casrn:    109828-22-0
! inchikey: GHTWMHLFFDEYRE-UHFFFAOYSA-N
Hvpx__109828_22_0 =  4.4E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,3',4,4',5'-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-157
! casrn:    94339-60-3
! inchikey: FEIDIWDEJQVIPO-UHFFFAOYSA-N
Hvpx___94339_60_3 =  2.0E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,3',4',5,6-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-163
! casrn:    155999-97-6
! inchikey: YLAYOOJLJKJGCF-UHFFFAOYSA-N
Hvpx__155999_97_6 =  3.4E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,4,4',5,6-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-166
! casrn:    63646-56-0
! inchikey: MXDRLBNLTLOWGV-UHFFFAOYSA-N
Hvpx___63646_56_0 =  1.1E+02                                  ! [atm] type: V, ref: 1096

! species:  2,3',4,4',5,5'-hexachlorodiphenyl ether
! formula:  C_{12}H_4Cl_6O
! trivial:  PCDE-167
! casrn:    131138-20-0
! inchikey: DYSUSQZPGJXVAL-UHFFFAOYSA-N
Hvpx__131138_20_0 =  6.6E+01                                  ! [atm] type: V, ref: 1096
Hvpx__131138_20_0 =  6.1E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143

! species:  2,2',3,3',4,4',5-heptachlorodiphenyl ether
! formula:  C_{12}H_3Cl_7O
! trivial:  PCDE-170
! casrn:    71585-40-5
! inchikey: BLBURLWSCHSPIS-UHFFFAOYSA-N
Hvpx___71585_40_5 =  2.7E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,3',4,5,6'-heptachlorodiphenyl ether
! formula:  C_{12}H_3Cl_7O
! trivial:  PCDE-174
! casrn:    159553-73-8
! inchikey: DQYYZAABYZAOOC-UHFFFAOYSA-N
Hvpx__159553_73_8 =  3.1E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,3',4,5',6'-heptachlorodiphenyl ether
! formula:  C_{12}H_3Cl_7O
! trivial:  PCDE-177
! casrn:    83992-71-6
! inchikey: RXPQVFMDOJTCKE-UHFFFAOYSA-N
Hvpx___83992_71_6 =  4.0E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4,4',5,5'-heptachlorodiphenyl ether
! formula:  C_{12}H_3Cl_7O
! trivial:  PCDE-180
! casrn:    83992-69-2
! inchikey: YBYYCWMPXZRBNJ-UHFFFAOYSA-N
Hvpx___83992_69_2 =  1.1E+02                                  ! [atm] type: V, ref: 1096
Hvpx___83992_69_2 =  2.9E+01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143

! species:  2,2',3,4,4',5,6-heptachlorodiphenyl ether
! formula:  C_{12}H_3Cl_7O
! trivial:  PCDE-181
! casrn:    157683-75-5
! inchikey: RPNFRXWGMTYOPA-UHFFFAOYSA-N
Hvpx__157683_75_5 =  1.6E+02                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4,4',5,6'-heptachlorodiphenyl ether
! formula:  C_{12}H_3Cl_7O
! trivial:  PCDE-182
! casrn:    88467-63-4
! inchikey: XWRZWPPSQDHTFU-UHFFFAOYSA-N
Hvpx___88467_63_4 =  1.6E+02 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143

! species:  2,2',3,4,4',6,6'-heptachlorodiphenyl ether
! formula:  C_{12}H_3Cl_7O
! trivial:  PCDE-184
! casrn:    106220-84-2
! inchikey: WTYSJAGEYAAIFW-UHFFFAOYSA-N
Hvpx__106220_84_2 =  2.7E+00 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143

! species:  2,2',3,4',5,5',6-heptachlorodiphenyl ether
! formula:  C_{12}H_3Cl_7O
! trivial:  PCDE-187
! casrn:    109828-23-1
! inchikey: BHJCMMGUFRZLKK-UHFFFAOYSA-N
Hvpx__109828_23_1 =  7.4E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,3',4,4',5,5'-heptachlorodiphenyl ether
! formula:  C_{12}H_3Cl_7O
! trivial:  PCDE-189
! casrn:    83992-72-7
! inchikey: JUHPMUOWCYBMEY-UHFFFAOYSA-N
Hvpx___83992_72_7 =  8.9E+01                                  ! [atm] type: V, ref: 1096

! species:  2,3,3',4,4',5,6-heptachlorodiphenyl ether
! formula:  C_{12}H_3Cl_7O
! trivial:  PCDE-190
! casrn:    83992-70-5
! inchikey: QLSBRXLSQINWHM-UHFFFAOYSA-N
Hvpx___83992_70_5 =  9.5E+01                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,3',4,4',5,5'-octachlorodiphenyl ether
! formula:  C_{12}H_2Cl_8O
! trivial:  PCDE-194
! casrn:    57379-40-5
! inchikey: IXZVOZCULZBCDY-UHFFFAOYSA-N
Hvpx___57379_40_5 =  1.3E+02                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,3',4,4',5,6-octachlorodiphenyl ether
! formula:  C_{12}H_2Cl_8O
! trivial:  PCDE-195
! casrn:    65075-02-7
! inchikey: YHUPMPHVHYBYJE-UHFFFAOYSA-N
Hvpx___65075_02_7 =  3.1E+02                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,3',4,4',5,6'-octachlorodiphenyl ether
! formula:  C_{12}H_2Cl_8O
! trivial:  PCDE-196
! casrn:    85918-38-3
! inchikey: HYNYIQBCBHJTOZ-UHFFFAOYSA-N
Hvpx___85918_38_3 =  6.3E+01 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143

! species:  2,2',3,3',4,4',6,6'-octachlorodiphenyl ether
! formula:  C_{12}H_2Cl_8O
! trivial:  PCDE-197
! casrn:    117948-62-6
! inchikey: GRWRDFGBFYSOKR-UHFFFAOYSA-N
Hvpx__117948_62_6 =  7.1E+01 * EXP(  -7000.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143

! species:  2,2',3,3',4,5,5',6'-octachlorodiphenyl ether
! formula:  C_{12}H_2Cl_8O
! trivial:  PCDE-199
! casrn:    83992-76-1
! inchikey: MRHQOXCYYPFGEE-UHFFFAOYSA-N
Hvpx___83992_76_1 =  2.1E+02                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,4,4',5,5',6-octachlorodiphenyl ether
! formula:  C_{12}H_2Cl_8O
! trivial:  PCDE-203
! casrn:    83992-75-0
! inchikey: PKOSPVZTRLMBSK-UHFFFAOYSA-N
Hvpx___83992_75_0 =  2.4E+02                                  ! [atm] type: V, ref: 1096

! species:  2,2',3,3',4,4',5,5',6-nonachlorodiphenyl ether
! formula:  C_{12}HCl_9O
! trivial:  PCDE-206
! casrn:    83992-73-8
! inchikey: FPEYJPVHPGDXDD-UHFFFAOYSA-N
Hvpx___83992_73_8 =  1.1E+03                                  ! [atm] type: V, ref: 1096

! species:  decachlorodiphenyl ether
! formula:  C_{12}Cl_{10}O
! trivial:  PCDE-209
! casrn:    31710-30-2
! inchikey: CIPFDHFTBYJKQB-UHFFFAOYSA-N
Hvpx___31710_30_2 =  7.7E+03                                  ! [atm] type: V, ref: 1096

! species:  1-chlorodibenzofuran
! formula:  C_{12}H_7ClO
! trivial:  PCDF-1
! casrn:    84761-86-4
! inchikey: WRSMJZYBNIAAEE-UHFFFAOYSA-N
Hvpx___84761_86_4 =  6.6E+00                                  ! [atm] type: Q, ref: 1112

! species:  2-chlorodibenzofuran
! formula:  C_{12}H_7ClO
! trivial:  PCDF-2
! casrn:    51230-49-0
! inchikey: PRKTYWJFCODJOA-UHFFFAOYSA-N
Hvpx___51230_49_0 =  5.0E+00                                  ! [atm] type: Q, ref: 1112

! species:  3-chlorodibenzofuran
! formula:  C_{12}H_7ClO
! trivial:  PCDF-3
! casrn:    25074-67-3
! inchikey: BBOZMMAURMEVAR-UHFFFAOYSA-N
Hvpx___25074_67_3 =  4.2E+00                                  ! [atm] type: Q, ref: 1112

! species:  4-chlorodibenzofuran
! formula:  C_{12}H_7ClO
! trivial:  PCDF-4
! casrn:    74992-96-4
! inchikey: RHRYBWFAHXCUCR-UHFFFAOYSA-N
Hvpx___74992_96_4 =  6.1E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-12
! casrn:    64126-85-8
! inchikey: QVAPRJWSOUITIF-UHFFFAOYSA-N
Hvpx___64126_85_8 =  3.7E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,3-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-13
! casrn:    94538-00-8
! inchikey: VKIBKEFGJSPRJC-UHFFFAOYSA-N
Hvpx___94538_00_8 =  2.7E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,4-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-14
! casrn:    94538-01-9
! inchikey: VHQCMZLPHWGUDB-UHFFFAOYSA-N
Hvpx___94538_01_9 =  3.7E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,6-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-16
! casrn:    74992-97-5
! inchikey: JRSRWACZUFLWKF-UHFFFAOYSA-N
Hvpx___74992_97_5 =  3.8E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,7-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-17
! casrn:    94538-02-0
! inchikey: XRQNHPGZRFKBJW-UHFFFAOYSA-N
Hvpx___94538_02_0 =  2.8E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,8-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-18
! casrn:    81638-37-1
! inchikey: UAFNQQBPUWFPGC-UHFFFAOYSA-N
Hvpx___81638_37_1 =  2.2E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,9-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-19
! casrn:    70648-14-5
! inchikey: AEKSGHBVWJHELW-UHFFFAOYSA-N
Hvpx___70648_14_5 =  2.7E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,3-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-23
! casrn:    64126-86-9
! inchikey: GETJJZZRPQFSFM-UHFFFAOYSA-N
Hvpx___64126_86_9 =  2.4E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,4-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-24
! casrn:    24478-74-8
! inchikey: LHTCKMYRNOGUOA-UHFFFAOYSA-N
Hvpx___24478_74_8 =  2.9E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,6-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-26
! casrn:    60390-27-4
! inchikey: XVLCNKFGFHUQNL-UHFFFAOYSA-N
Hvpx___60390_27_4 =  3.1E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,7-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-27
! casrn:    74992-98-6
! inchikey: DOZUTNBCPVUMPY-UHFFFAOYSA-N
Hvpx___74992_98_6 =  2.7E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,8-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-28
! casrn:    5409-83-6
! inchikey: IVVRJIDVYSPKFZ-UHFFFAOYSA-N
Hvpx____5409_83_6 =  3.5E+00                                  ! [atm] type: V, ref: 3586
Hvpx____5409_83_6 =  3.5E+00                                  ! [atm] type: V, ref: 2612
Hvpx____5409_83_6 =  3.4E+00                                  ! [atm] type: V, ref: 1112
Hvpx____5409_83_6 =  1.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____5409_83_6 =  2.1E+00                                  ! [atm] type: Q, ref: 2915
Hvpx____5409_83_6 =  2.5E+00                                  ! [atm] type: Q, ref: 1112

! species:  3,4-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-34
! casrn:    94570-83-9
! inchikey: HYQGGNWDPQZLGX-UHFFFAOYSA-N
Hvpx___94570_83_9 =  2.9E+00                                  ! [atm] type: Q, ref: 1112

! species:  3,6-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-36
! casrn:    74918-40-4
! inchikey: DMOBGFAKTSXOHG-UHFFFAOYSA-N
Hvpx___74918_40_4 =  2.5E+00                                  ! [atm] type: Q, ref: 1112

! species:  3,7-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-37
! casrn:    58802-21-4
! inchikey: OLTYAGNRSNFHLK-UHFFFAOYSA-N
Hvpx___58802_21_4 =  1.9E+00                                  ! [atm] type: Q, ref: 1112

! species:  4,6-dichlorodibenzofuran
! formula:  C_{12}H_6Cl_2O
! trivial:  PCDF-46
! casrn:    64560-13-0
! inchikey: BZFIZJNKNCJEAD-UHFFFAOYSA-N
Hvpx___64560_13_0 =  2.4E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-123
! casrn:    83636-47-9
! inchikey: LADSWAAWPMGHBE-UHFFFAOYSA-N
Hvpx___83636_47_9 =  1.9E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-124
! casrn:    24478-73-7
! inchikey: RQIWKWHVZLDXEJ-UHFFFAOYSA-N
Hvpx___24478_73_7 =  2.2E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,6-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-126
! casrn:    64560-15-2
! inchikey: CYRZCBUWRUACKJ-UHFFFAOYSA-N
Hvpx___64560_15_2 =  2.4E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,7-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-127
! casrn:    83704-37-4
! inchikey: AFOVQGPNOZDUEP-UHFFFAOYSA-N
Hvpx___83704_37_4 =  2.3E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,8-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-128
! casrn:    83704-34-1
! inchikey: UYIGPSPCOXGBCS-UHFFFAOYSA-N
Hvpx___83704_34_1 =  1.4E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,9-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-129
! casrn:    83704-38-5
! inchikey: ICTXINQOXPMQPM-UHFFFAOYSA-N
Hvpx___83704_38_5 =  1.1E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,3,4-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-134
! casrn:    82911-61-3
! inchikey: FIPOITUDJFQRRN-UHFFFAOYSA-N
Hvpx___82911_61_3 =  1.9E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,3,6-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-136
! casrn:    83704-39-6
! inchikey: AGPTXRLVBIRYLV-UHFFFAOYSA-N
Hvpx___83704_39_6 =  1.6E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,3,7-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-137
! casrn:    64560-16-3
! inchikey: INRBXOGZPDFCLQ-UHFFFAOYSA-N
Hvpx___64560_16_3 =  1.3E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,3,8-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-138
! casrn:    76621-12-0
! inchikey: PHFSTDOPTZHECA-UHFFFAOYSA-N
Hvpx___76621_12_0 =  1.3E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,3,9-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-139
! casrn:    83704-40-9
! inchikey: SPPGDLROKBFNNO-UHFFFAOYSA-N
Hvpx___83704_40_9 =  1.3E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,4,6-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-146
! casrn:    82911-60-2
! inchikey: XDQRWSUJOURTHK-UHFFFAOYSA-N
Hvpx___82911_60_2 =  1.5E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,4,7-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-147
! casrn:    83704-41-0
! inchikey: XTLMVJUSIANHND-UHFFFAOYSA-N
Hvpx___83704_41_0 =  1.7E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,4,8-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-148
! casrn:    64560-14-1
! inchikey: PCQCYDNFBUADOK-UHFFFAOYSA-N
Hvpx___64560_14_1 =  1.4E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,4,9-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-149
! casrn:    70648-13-4
! inchikey: NVYUPBVXKLTYHV-UHFFFAOYSA-N
Hvpx___70648_13_4 =  1.6E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,6,7-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-167
! casrn:    83704-46-5
! inchikey: HEWLCNCSWBMZHG-UHFFFAOYSA-N
Hvpx___83704_46_5 =  2.0E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,6,8-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-168
! casrn:    82911-59-9
! inchikey: ZOBVYDQWZXUJNO-UHFFFAOYSA-N
Hvpx___82911_59_9 =  1.3E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,7,8-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-178
! casrn:    58802-18-9
! inchikey: YNMCXGLWHTVMQO-UHFFFAOYSA-N
Hvpx___58802_18_9 =  1.2E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,3,4-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-234
! casrn:    57117-34-7
! inchikey: YDLADWPBKZODCJ-UHFFFAOYSA-N
Hvpx___57117_34_7 =  1.8E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,3,6-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-236
! casrn:    57117-33-6
! inchikey: CPMGJTLNRBIKQM-UHFFFAOYSA-N
Hvpx___57117_33_6 =  1.6E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,3,7-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-237
! casrn:    58802-17-8
! inchikey: CKXMNTLGGAOERF-UHFFFAOYSA-N
Hvpx___58802_17_8 =  1.5E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,3,8-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-238
! casrn:    57117-32-5
! inchikey: NUNSNNOYACKRIK-UHFFFAOYSA-N
Hvpx___57117_32_5 =  1.8E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,4,6-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-246
! casrn:    58802-14-5
! inchikey: GTKURBTWZFQHHY-UHFFFAOYSA-N
Hvpx___58802_14_5 =  1.3E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,4,7-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-247
! casrn:    83704-42-1
! inchikey: SZBZRVJHPZIGAY-UHFFFAOYSA-N
Hvpx___83704_42_1 =  1.8E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,4,8-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-248
! casrn:    54589-71-8
! inchikey: WJURXKWTCOMRCE-UHFFFAOYSA-N
Hvpx___54589_71_8 =  1.7E+00                                  ! [atm] type: Q, ref: 1112

! species:  3,4,6-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-346
! casrn:    83704-43-2
! inchikey: XEUHBCMRIXEBTD-UHFFFAOYSA-N
Hvpx___83704_43_2 =  1.3E+00                                  ! [atm] type: Q, ref: 1112

! species:  3,4,7-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-347
! casrn:    83704-44-3
! inchikey: RPJJBTSXPNFUTA-UHFFFAOYSA-N
Hvpx___83704_44_3 =  1.4E+00                                  ! [atm] type: Q, ref: 1112

! species:  3,4,8-trichlorodibenzofuran
! formula:  C_{12}H_5Cl_3O
! trivial:  PCDF-348
! casrn:    83704-45-4
! inchikey: YTZWNIQGGIJHJX-UHFFFAOYSA-N
Hvpx___83704_45_4 =  2.2E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1234
! casrn:    24478-72-6
! inchikey: AETAPIFVELRIDN-UHFFFAOYSA-N
Hvpx___24478_72_6 =  1.5E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,6-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1236
! casrn:    83704-21-6
! inchikey: BBAXFLIBRPXRBP-UHFFFAOYSA-N
Hvpx___83704_21_6 =  1.3E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,7-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1237
! casrn:    83704-22-7
! inchikey: MDNZFYGATDCKRB-UHFFFAOYSA-N
Hvpx___83704_22_7 =  1.4E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1238
! casrn:    62615-08-1
! inchikey: KFQRHGKKSHJMCO-UHFFFAOYSA-N
Hvpx___62615_08_1 =  1.1E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,9-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1239
! casrn:    83704-23-8
! inchikey: GNQHLJHTOATTOJ-UHFFFAOYSA-N
Hvpx___83704_23_8 =  6.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,6-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1246
! casrn:    71998-73-7
! inchikey: NLVWEKPJFUPVMZ-UHFFFAOYSA-N
Hvpx___71998_73_7 =  1.1E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,7-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1247
! casrn:    83719-40-8
! inchikey: MFURKMJLDQBHRA-UHFFFAOYSA-N
Hvpx___83719_40_8 =  1.6E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1248
! casrn:    64126-87-0
! inchikey: BFTASCFRRBHFFK-UHFFFAOYSA-N
Hvpx___64126_87_0 =  9.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,9-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1249
! casrn:    83704-24-9
! inchikey: ZUYYTCCHKQGGOV-UHFFFAOYSA-N
Hvpx___83704_24_9 =  7.4E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,6,7-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1267
! casrn:    83704-25-0
! inchikey: AUEWYHHKDYUYMI-UHFFFAOYSA-N
Hvpx___83704_25_0 =  1.9E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,6,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1268
! casrn:    83710-07-0
! inchikey: KCVGVSIBBGIJNZ-UHFFFAOYSA-N
Hvpx___83710_07_0 =  9.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,6,9-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1269
! casrn:    70648-18-9
! inchikey: IEPGLLVEBKXASE-UHFFFAOYSA-N
Hvpx___70648_18_9 =  7.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,7,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1278
! casrn:    58802-20-3
! inchikey: JODWPAQNABOHDG-UHFFFAOYSA-N
Hvpx___58802_20_3 =  5.0E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___58802_20_3 =  1.1E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,7,9-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1279
! casrn:    83704-26-1
! inchikey: PDMFRPIFZAKMLH-UHFFFAOYSA-N
Hvpx___83704_26_1 =  7.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,8,9-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1289
! casrn:    70648-22-5
! inchikey: OHYCQUKMNPHFPT-UHFFFAOYSA-N
Hvpx___70648_22_5 =  5.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,4,6-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1346
! casrn:    83704-27-2
! inchikey: CBBDONKZEJKFJP-UHFFFAOYSA-N
Hvpx___83704_27_2 =  8.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,4,7-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1347
! casrn:    70648-16-7
! inchikey: UMKCVDZTSZNWRH-UHFFFAOYSA-N
Hvpx___70648_16_7 =  1.1E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,3,4,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1348
! casrn:    92341-04-3
! inchikey: XWKRJSMNDOXIHS-UHFFFAOYSA-N
Hvpx___92341_04_3 =  1.1E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,3,4,9-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1349
! casrn:    83704-28-3
! inchikey: PNCYJHOTZSKZPA-UHFFFAOYSA-N
Hvpx___83704_28_3 =  9.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,6,7-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1367
! casrn:    57117-36-9
! inchikey: PITDPGCTIMCYEZ-UHFFFAOYSA-N
Hvpx___57117_36_9 =  1.1E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,3,6,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1368
! casrn:    71998-72-6
! inchikey: BDXKVABZWRZKOS-UHFFFAOYSA-N
Hvpx___71998_72_6 =  8.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,6,9-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1369
! casrn:    83690-98-6
! inchikey: NJQQZRLWVLWNGD-UHFFFAOYSA-N
Hvpx___83690_98_6 =  8.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,7,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1378
! casrn:    57117-35-8
! inchikey: CSXDVUGDFSYXTD-UHFFFAOYSA-N
Hvpx___57117_35_8 =  8.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,7,9-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1379
! casrn:    64560-17-4
! inchikey: IEMJMCVYAORWJV-UHFFFAOYSA-N
Hvpx___64560_17_4 =  6.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,4,6,7-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1467
! casrn:    66794-59-0
! inchikey: RBFNYMHNIOKXLA-UHFFFAOYSA-N
Hvpx___66794_59_0 =  9.3E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,4,6,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1468
! casrn:    82911-58-8
! inchikey: VHOBVPNETFRJED-UHFFFAOYSA-N
Hvpx___82911_58_8 =  6.4E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,4,6,9-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1469
! casrn:    70648-19-0
! inchikey: JAYSBJFHDJOMGZ-UHFFFAOYSA-N
Hvpx___70648_19_0 =  6.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,4,7,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1478
! casrn:    83704-29-4
! inchikey: IVRDRRWQABCXLY-UHFFFAOYSA-N
Hvpx___83704_29_4 =  8.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,6,7,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-1678
! casrn:    83704-33-0
! inchikey: KOJMOXYETDLOPN-UHFFFAOYSA-N
Hvpx___83704_33_0 =  9.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  2,3,4,6-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-2346
! casrn:    83704-30-7
! inchikey: JNVHSHPAAMRSKK-UHFFFAOYSA-N
Hvpx___83704_30_7 =  8.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  2,3,4,7-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-2347
! casrn:    83704-31-8
! inchikey: BROFYOSLFHTGCQ-UHFFFAOYSA-N
Hvpx___83704_31_8 =  1.3E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,3,4,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-2348
! casrn:    83704-32-9
! inchikey: IIKXRERKNIJJQY-UHFFFAOYSA-N
Hvpx___83704_32_9 =  1.5E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,3,6,7-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-2367
! casrn:    57117-39-2
! inchikey: MJCNKMDTLRSHNK-UHFFFAOYSA-N
Hvpx___57117_39_2 =  1.3E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,3,6,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-2368
! casrn:    57117-37-0
! inchikey: SPMZHWVRMWWTSY-UHFFFAOYSA-N
Hvpx___57117_37_0 =  1.3E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,3,7,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-2378
! casrn:    51207-31-9
! inchikey: KSMVNVHUTQZITP-UHFFFAOYSA-N
Hvpx___51207_31_9 =  9.3E-01                                  ! [atm] type: M, ref: 2945
Hvpx___51207_31_9 =  8.0E-01                                  ! [atm] type: V, ref: 2612
Hvpx___51207_31_9 =  6.4E-01                                  ! [atm] type: V, ref: 1112
Hvpx___51207_31_9 =  2.4E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___51207_31_9 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___51207_31_9 =  4.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___51207_31_9 =  8.5E-01                                  ! [atm] type: Q, ref: 3088
Hvpx___51207_31_9 =  7.6E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___51207_31_9 =  1.5E+00                                  ! [atm] type: Q, ref: 1112
Hvpx___51207_31_9 =  9.2E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,4,6,7-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-2467
! casrn:    57117-38-1
! inchikey: NSDXKMRVQOSASS-UHFFFAOYSA-N
Hvpx___57117_38_1 =  1.0E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,4,6,8-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-2468
! casrn:    58802-19-0
! inchikey: ZSPJEACWUWSAGS-UHFFFAOYSA-N
Hvpx___58802_19_0 =  8.3E-01                                  ! [atm] type: Q, ref: 1112

! species:  3,4,6,7-tetrachlorodibenzofuran
! formula:  C_{12}H_4Cl_4O
! trivial:  PCDF-3467
! casrn:    57117-40-5
! inchikey: LMJLCLBSUNZLNW-UHFFFAOYSA-N
Hvpx___57117_40_5 =  7.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,6-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12346
! casrn:    83704-47-6
! inchikey: LIQJBAPSLUZUTB-UHFFFAOYSA-N
Hvpx___83704_47_6 =  7.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,7-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12347
! casrn:    83704-48-7
! inchikey: DOJZTBGOWIYFAC-UHFFFAOYSA-N
Hvpx___83704_48_7 =  1.2E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,8-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12348
! casrn:    67517-48-0
! inchikey: ZCTNDJSCLPJCRA-UHFFFAOYSA-N
Hvpx___67517_48_0 =  9.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,9-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12349
! casrn:    83704-49-8
! inchikey: IQSZNZVZXOFRJS-UHFFFAOYSA-N
Hvpx___83704_49_8 =  5.6E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,6,7-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12367
! casrn:    57117-42-7
! inchikey: NZUPQBVDIWCPBX-UHFFFAOYSA-N
Hvpx___57117_42_7 =  1.3E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,6,8-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12368
! casrn:    83704-51-2
! inchikey: VHQJZOFUPXEZQZ-UHFFFAOYSA-N
Hvpx___83704_51_2 =  8.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,6,9-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12369
! casrn:    83704-52-3
! inchikey: IPSFQAKXDJVQOX-UHFFFAOYSA-N
Hvpx___83704_52_3 =  5.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,7,8-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12378
! casrn:    57117-41-6
! inchikey: SBMIVUVRFPGOEB-UHFFFAOYSA-N
Hvpx___57117_41_6 =  6.3E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___57117_41_6 =  1.0E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,7,9-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12379
! casrn:    83704-53-4
! inchikey: JVUSEQPOWCBYNG-UHFFFAOYSA-N
Hvpx___83704_53_4 =  5.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,8,9-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12389
! casrn:    83704-54-5
! inchikey: NKGLWUJPCTUDEH-UHFFFAOYSA-N
Hvpx___83704_54_5 =  2.8E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___83704_54_5 =  5.0E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,6,7-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12467
! casrn:    83704-50-1
! inchikey: BQTCODOVGXJHRB-UHFFFAOYSA-N
Hvpx___83704_50_1 =  9.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,6,8-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12468
! casrn:    69698-57-3
! inchikey: JDTUAYPJSSXDNO-UHFFFAOYSA-N
Hvpx___69698_57_3 =  5.2E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,6,9-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12469
! casrn:    70648-24-7
! inchikey: QDQFGVXGPSYEJU-UHFFFAOYSA-N
Hvpx___70648_24_7 =  3.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,7,8-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12478
! casrn:    58802-15-6
! inchikey: GCFDWHIKRXCUPJ-UHFFFAOYSA-N
Hvpx___58802_15_6 =  8.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,7,9-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12479
! casrn:    71998-74-8
! inchikey: IYGVHNHWORPMFU-UHFFFAOYSA-N
Hvpx___71998_74_8 =  5.6E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,8,9-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12489
! casrn:    70648-23-6
! inchikey: ZSPAPWGNAGTCCA-UHFFFAOYSA-N
Hvpx___70648_23_6 =  4.2E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,6,7,8-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12678
! casrn:    69433-00-7
! inchikey: ZAAVDGLJEOXCMV-UHFFFAOYSA-N
Hvpx___69433_00_7 =  1.0E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,6,7,9-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-12679
! casrn:    70872-82-1
! inchikey: QQRRQEVOSMEVQB-UHFFFAOYSA-N
Hvpx___70872_82_1 =  6.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,4,6,7-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-13467
! casrn:    83704-36-3
! inchikey: JVYYDUWJIJMOGW-UHFFFAOYSA-N
Hvpx___83704_36_3 =  6.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,4,6,8-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-13468
! casrn:    83704-55-6
! inchikey: COKIAYPRHYHYCH-UHFFFAOYSA-N
Hvpx___83704_55_6 =  5.3E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,4,6,9-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-13469
! casrn:    70648-15-6
! inchikey: MYSAFUYQSBEEDR-UHFFFAOYSA-N
Hvpx___70648_15_6 =  4.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,4,7,8-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-13478
! casrn:    58802-16-7
! inchikey: ORSUQGVCWLXKLZ-UHFFFAOYSA-N
Hvpx___58802_16_7 =  7.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,4,7,9-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-13479
! casrn:    70648-20-3
! inchikey: GFXPLABVZOBCCW-UHFFFAOYSA-N
Hvpx___70648_20_3 =  5.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,6,7,8-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-13678
! casrn:    70648-21-4
! inchikey: FRLMQDUYUJIHCZ-UHFFFAOYSA-N
Hvpx___70648_21_4 =  7.2E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,4,6,7,8-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-14678
! casrn:    83704-35-2
! inchikey: VANGHZRYKXDPRR-UHFFFAOYSA-N
Hvpx___83704_35_2 =  4.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  2,3,4,6,7-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-23467
! casrn:    57117-43-8
! inchikey: SJFBZRQKGOGHEV-UHFFFAOYSA-N
Hvpx___57117_43_8 =  7.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  2,3,4,6,8-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-23468
! casrn:    67481-22-5
! inchikey: MKRFORPSRBMAIP-UHFFFAOYSA-N
Hvpx___67481_22_5 =  8.3E-01                                  ! [atm] type: Q, ref: 1112

! species:  2,3,4,7,8-pentachlorodibenzofuran
! formula:  C_{12}H_3Cl_5O
! trivial:  PCDF-23478
! casrn:    57117-31-4
! inchikey: OGBQILNBLMPPDP-UHFFFAOYSA-N
Hvpx___57117_31_4 =  2.8E-01                                  ! [atm] type: V, ref: 3586
Hvpx___57117_31_4 =  2.8E-01                                  ! [atm] type: V, ref: 3088
Hvpx___57117_31_4 =  2.8E-01                                  ! [atm] type: V, ref: 2612
Hvpx___57117_31_4 =  3.1E-01                                  ! [atm] type: V, ref: 1112
Hvpx___57117_31_4 =  2.4E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___57117_31_4 =  3.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___57117_31_4 =  3.5E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___57117_31_4 =  1.4E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,6,7-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-123467
! casrn:    79060-60-9
! inchikey: SNWFMKXFMVHBKD-UHFFFAOYSA-N
Hvpx___79060_60_9 =  8.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,6,8-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-123468
! casrn:    69698-60-8
! inchikey: UCFGNWHERVQWMZ-UHFFFAOYSA-N
Hvpx___69698_60_8 =  2.3E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___69698_60_8 =  5.6E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,6,9-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-123469
! casrn:    91538-83-9
! inchikey: KFFUZIROJGXTQH-UHFFFAOYSA-N
Hvpx___91538_83_9 =  3.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,7,8-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-123478
! casrn:    70648-26-9
! inchikey: LVYBAQIVPKCOEE-UHFFFAOYSA-N
Hvpx___70648_26_9 =  7.9E-01                                  ! [atm] type: V, ref: 2612
Hvpx___70648_26_9 =  1.4E+00                                  ! [atm] type: V, ref: 1112
Hvpx___70648_26_9 =  1.3E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___70648_26_9 =  2.8E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___70648_26_9 =  1.0E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,7,9-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-123479
! casrn:    91538-84-0
! inchikey: BKIXWRBZCQEZAQ-UHFFFAOYSA-N
Hvpx___91538_84_0 =  5.0E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,8,9-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-123489
! casrn:    92341-07-6
! inchikey: VSDUQUBUJRNREH-UHFFFAOYSA-N
Hvpx___92341_07_6 =  2.0E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___92341_07_6 =  4.8E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,6,7,8-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-123678
! casrn:    57117-44-9
! inchikey: JEYJJJXOFWNEHN-UHFFFAOYSA-N
Hvpx___57117_44_9 =  6.0E-01                                  ! [atm] type: V, ref: 1112
Hvpx___57117_44_9 =  5.0E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___57117_44_9 =  2.5E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___57117_44_9 =  1.0E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,6,7,9-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-123679
! casrn:    92341-06-5
! inchikey: JZVOLXQREJNTTL-UHFFFAOYSA-N
Hvpx___92341_06_5 =  5.2E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,6,8,9-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-123689
! casrn:    75198-38-8
! inchikey: WLGQZUOHEXTWFH-UHFFFAOYSA-N
Hvpx___75198_38_8 =  4.0E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,7,8,9-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-123789
! casrn:    72918-21-9
! inchikey: PYUSJFJVDVSXIU-UHFFFAOYSA-N
Hvpx___72918_21_9 =  8.7E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___72918_21_9 =  2.1E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___72918_21_9 =  5.2E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,6,7,8-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-124678
! casrn:    67562-40-7
! inchikey: CKDDYGBBKXIHRY-UHFFFAOYSA-N
Hvpx___67562_40_7 =  1.7E+03 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___67562_40_7 =  5.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,6,7,9-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-124679
! casrn:    75627-02-0
! inchikey: FAHIPPHRJJJQOG-UHFFFAOYSA-N
Hvpx___75627_02_0 =  3.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,6,8,9-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-124689
! casrn:    69698-59-5
! inchikey: FGZCXIPKUCJGHW-UHFFFAOYSA-N
Hvpx___69698_59_5 =  2.5E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___69698_59_5 =  2.3E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,4,6,7,8-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-134678
! casrn:    71998-75-9
! inchikey: OGTZINCGZYXZCR-UHFFFAOYSA-N
Hvpx___71998_75_9 =  4.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,4,6,7,9-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-134679
! casrn:    92341-05-4
! inchikey: TURXXOIFVABBPW-UHFFFAOYSA-N
Hvpx___92341_05_4 =  3.4E-01                                  ! [atm] type: Q, ref: 1112

! species:  2,3,4,6,7,8-hexachlorodibenzofuran
! formula:  C_{12}H_2Cl_6O
! trivial:  PCDF-234678
! casrn:    60851-34-5
! inchikey: XTAHLACQOVXINQ-UHFFFAOYSA-N
Hvpx___60851_34_5 =  1.5E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___60851_34_5 =  1.8E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___60851_34_5 =  9.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,6,7,8-heptachlorodibenzofuran
! formula:  C_{12}HCl_7O
! trivial:  PCDF-1234678
! casrn:    67562-39-4
! inchikey: WDMKCPIVJOGHBF-UHFFFAOYSA-N
Hvpx___67562_39_4 =  7.8E-01                                  ! [atm] type: V, ref: 3586
Hvpx___67562_39_4 =  7.8E-01                                  ! [atm] type: V, ref: 2612
Hvpx___67562_39_4 =  1.9E+00                                  ! [atm] type: V, ref: 1112
Hvpx___67562_39_4 =  1.0E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___67562_39_4 =  2.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___67562_39_4 =  1.4E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___67562_39_4 =  7.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,6,7,9-heptachlorodibenzofuran
! formula:  C_{12}HCl_7O
! trivial:  PCDF-1234679
! casrn:    70648-25-8
! inchikey: JWXWOEUKHXOUSK-UHFFFAOYSA-N
Hvpx___70648_25_8 =  3.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,6,8,9-heptachlorodibenzofuran
! formula:  C_{12}HCl_7O
! trivial:  PCDF-1234689
! casrn:    69698-58-4
! inchikey: BADFHCOLISGRRW-UHFFFAOYSA-N
Hvpx___69698_58_4 =  1.6E+03 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___69698_58_4 =  2.8E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,7,8,9-heptachlorodibenzofuran
! formula:  C_{12}HCl_7O
! trivial:  PCDF-1234789
! casrn:    55673-89-7
! inchikey: VEZCTZWLJYWARH-UHFFFAOYSA-N
Hvpx___55673_89_7 =  1.0E+03 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___55673_89_7 =  1.7E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___55673_89_7 =  5.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  octachlorodibenzofuran
! formula:  C_{12}Cl_8O
! trivial:  PCDF-12346789
! casrn:    39001-02-0
! inchikey: RHIROFAGUQOFLU-UHFFFAOYSA-N
Hvpx___39001_02_0 =  1.0E-01                                  ! [atm] type: V, ref: 3586
Hvpx___39001_02_0 =  7.2E-01                                  ! [atm] type: V, ref: 1112
Hvpx___39001_02_0 =  2.4E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___39001_02_0 =  3.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___39001_02_0 =  1.1E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___39001_02_0 =  4.2E-01                                  ! [atm] type: Q, ref: 1112

! species:  1-chlorodibenzo-$p$-dioxin
! formula:  C_{12}H_7ClO_2
! trivial:  PCDD-1
! casrn:    39227-53-7
! inchikey: VGGGRWRBGXENKI-UHFFFAOYSA-N
Hvpx___39227_53_7 =  3.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx___39227_53_7 =  3.4E+00                                  ! [atm] type: V, ref: 2612
Hvpx___39227_53_7 =  2.2E+01                                  ! [atm] type: V, ref: 2915
Hvpx___39227_53_7 =  3.4E+00                                  ! [atm] type: V, ref: 1112
Hvpx___39227_53_7 =  4.6E+00                                  ! [atm] type: V, ref: 854
Hvpx___39227_53_7 =  2.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___39227_53_7 =  8.1E+00                                  ! [atm] type: Q, ref: 2915
Hvpx___39227_53_7 =  4.2E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___39227_53_7 =  3.1E+00                                  ! [atm] type: Q, ref: 1112

! species:  2-chlorodibenzo-$p$-dioxin
! formula:  C_{12}H_7ClO_2
! trivial:  PCDD-2
! casrn:    39227-54-8
! inchikey: GIUGGRUEPHPVNR-UHFFFAOYSA-N
Hvpx___39227_54_8 =  6.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx___39227_54_8 =  6.9E+00                                  ! [atm] type: V, ref: 2612
Hvpx___39227_54_8 =  6.9E+00                                  ! [atm] type: V, ref: 1112
Hvpx___39227_54_8 =  8.1E+00                                  ! [atm] type: V, ref: 854
Hvpx___39227_54_8 =  4.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___39227_54_8 =  5.5E+00                                  ! [atm] type: Q, ref: 2915
Hvpx___39227_54_8 =  4.1E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___39227_54_8 =  2.5E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2-dichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_6Cl_2O_2
! trivial:  PCDD-12
! casrn:    54536-18-4
! inchikey: DFGDMWHUCCHXIF-UHFFFAOYSA-N
Hvpx___54536_18_4 =  2.0E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___54536_18_4 =  1.7E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,3-dichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_6Cl_2O_2
! trivial:  PCDD-13
! casrn:    50585-39-2
! inchikey: AZYJYMAKTBXNSX-UHFFFAOYSA-N
Hvpx___50585_39_2 =  2.4E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___50585_39_2 =  1.4E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,4-dichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_6Cl_2O_2
! trivial:  PCDD-14
! casrn:    54536-19-5
! inchikey: MBMUPQZSDWVPQU-UHFFFAOYSA-N
Hvpx___54536_19_5 =  2.3E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___54536_19_5 =  1.7E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,6-dichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_6Cl_2O_2
! trivial:  PCDD-16
! casrn:    38178-38-0
! inchikey: MAWMBEVNJGEDAD-UHFFFAOYSA-N
Hvpx___38178_38_0 =  2.2E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___38178_38_0 =  1.7E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,7-dichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_6Cl_2O_2
! trivial:  PCDD-17
! casrn:    82291-26-7
! inchikey: IJUWLAFPPVRYGY-UHFFFAOYSA-N
Hvpx___82291_26_7 =  2.1E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___82291_26_7 =  1.5E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,8-dichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_6Cl_2O_2
! trivial:  PCDD-18
! casrn:    82291-27-8
! inchikey: PLZYIHQBHROTFD-UHFFFAOYSA-N
Hvpx___82291_27_8 =  2.1E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___82291_27_8 =  1.4E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,9-dichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_6Cl_2O_2
! trivial:  PCDD-19
! casrn:    82291-28-9
! inchikey: JZDVJXBKJDADAY-UHFFFAOYSA-N
Hvpx___82291_28_9 =  2.1E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___82291_28_9 =  1.0E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,3-dichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_6Cl_2O_2
! trivial:  PCDD-23
! casrn:    29446-15-9
! inchikey: YCIYTXRUZSDMRZ-UHFFFAOYSA-N
Hvpx___29446_15_9 =  3.6E+00                                  ! [atm] type: V, ref: 3586
Hvpx___29446_15_9 =  3.6E+00                                  ! [atm] type: V, ref: 2612
Hvpx___29446_15_9 =  3.7E+00                                  ! [atm] type: V, ref: 2915
Hvpx___29446_15_9 =  3.6E+00                                  ! [atm] type: V, ref: 1112
Hvpx___29446_15_9 =  3.6E+00                                  ! [atm] type: V, ref: 854
Hvpx___29446_15_9 =  6.4E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___29446_15_9 =  2.2E+00                                  ! [atm] type: Q, ref: 2915
Hvpx___29446_15_9 =  2.1E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___29446_15_9 =  1.4E+00                                  ! [atm] type: Q, ref: 1112

! species:  2,7-dichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_6Cl_2O_2
! trivial:  PCDD-27
! casrn:    33857-26-0
! inchikey: NBFMTHWVRBOVPE-UHFFFAOYSA-N
Hvpx___33857_26_0 =  3.3E+00                                  ! [atm] type: M, ref: 644
Hvpx___33857_26_0 =  4.4E+00                                  ! [atm] type: V, ref: 1112
Hvpx___33857_26_0 =  4.4E+00                                  ! [atm] type: V, ref: 854
Hvpx___33857_26_0 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___33857_26_0 =  8.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___33857_26_0 =  7.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx___33857_26_0 =  1.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx___33857_26_0 =  5.3E+00                                  ! [atm] type: Q, ref: 2915
Hvpx___33857_26_0 =  2.1E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___33857_26_0 =  1.5E+00                                  ! [atm] type: Q, ref: 1112
Hvpx___33857_26_0 =  3.3E+00                                  ! [atm] type: ?, ref: 3586

! species:  2,8-dichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_6Cl_2O_2
! trivial:  PCDD-28
! casrn:    38964-22-6
! inchikey: WMWJCKBJUQDYLM-UHFFFAOYSA-N
Hvpx___38964_22_6 =  1.2E+00                                  ! [atm] type: V, ref: 3586
Hvpx___38964_22_6 =  1.2E+00                                  ! [atm] type: V, ref: 2612
Hvpx___38964_22_6 =  1.2E+00                                  ! [atm] type: V, ref: 1112
Hvpx___38964_22_6 =  1.2E+00                                  ! [atm] type: V, ref: 854
Hvpx___38964_22_6 =  4.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___38964_22_6 =  3.3E+00                                  ! [atm] type: Q, ref: 2915
Hvpx___38964_22_6 =  2.1E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___38964_22_6 =  1.3E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-123
! casrn:    54536-17-3
! inchikey: SKMFBGZVVNDVFR-UHFFFAOYSA-N
Hvpx___54536_17_3 =  1.1E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___54536_17_3 =  9.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-124
! casrn:    39227-58-2
! inchikey: HRVUKLBFRPWXPJ-UHFFFAOYSA-N
Hvpx___39227_58_2 =  2.0E+00                                  ! [atm] type: M, ref: 644
Hvpx___39227_58_2 =  1.9E+00                                  ! [atm] type: V, ref: 2612
Hvpx___39227_58_2 =  2.1E+00                                  ! [atm] type: V, ref: 1112
Hvpx___39227_58_2 =  2.1E+00                                  ! [atm] type: V, ref: 854
Hvpx___39227_58_2 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___39227_58_2 =  6.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___39227_58_2 =  4.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx___39227_58_2 =  5.2E-02                                  ! [atm] type: Q, ref: 2530
Hvpx___39227_58_2 =  1.8E+00                                  ! [atm] type: Q, ref: 2915
Hvpx___39227_58_2 =  1.3E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___39227_58_2 =  9.9E-01                                  ! [atm] type: Q, ref: 1112
Hvpx___39227_58_2 =  2.0E+00                                  ! [atm] type: ?, ref: 3586

! species:  1,2,6-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-126
! casrn:    69760-96-9
! inchikey: XQBPVWBIUBCJJO-UHFFFAOYSA-N
Hvpx___69760_96_9 =  1.1E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___69760_96_9 =  1.1E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,7-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-127
! casrn:    82291-30-3
! inchikey: TXJMXDWFPQSYEQ-UHFFFAOYSA-N
Hvpx___82291_30_3 =  1.1E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___82291_30_3 =  1.2E+00                                  ! [atm] type: Q, ref: 1112

! species:  1,2,8-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-128
! casrn:    82291-31-4
! inchikey: QBEOCKSANJLBAE-UHFFFAOYSA-N
Hvpx___82291_31_4 =  1.1E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___82291_31_4 =  9.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,9-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-129
! casrn:    82291-32-5
! inchikey: DQLRDBDQLSIOIX-UHFFFAOYSA-N
Hvpx___82291_32_5 =  1.0E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___82291_32_5 =  6.0E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,6-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-136
! casrn:    82291-33-6
! inchikey: LNPVMVSAUXUGHH-UHFFFAOYSA-N
Hvpx___82291_33_6 =  1.3E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___82291_33_6 =  8.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,7-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-137
! casrn:    67028-17-5
! inchikey: RPKWIXFZKMDPMH-UHFFFAOYSA-N
Hvpx___67028_17_5 =  1.3E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___67028_17_5 =  8.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,8-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-138
! casrn:    82306-61-4
! inchikey: FJAKCOBYQSEWMT-UHFFFAOYSA-N
Hvpx___82306_61_4 =  1.3E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___82306_61_4 =  9.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,9-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-139
! casrn:    82306-62-5
! inchikey: DGDADRUTFAIIQQ-UHFFFAOYSA-N
Hvpx___82306_62_5 =  1.3E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___82306_62_5 =  5.3E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,4,6-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-146
! casrn:    82306-63-6
! inchikey: UTTYFTWIJLRXKB-UHFFFAOYSA-N
Hvpx___82306_63_6 =  1.3E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___82306_63_6 =  5.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,4,7-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-147
! casrn:    82306-64-7
! inchikey: NBWAQBGJBSYXHV-UHFFFAOYSA-N
Hvpx___82306_64_7 =  1.2E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___82306_64_7 =  9.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,7,8-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-178
! casrn:    82306-65-8
! inchikey: CAPCTZJHYADFNX-UHFFFAOYSA-N
Hvpx___82306_65_8 =  1.1E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___82306_65_8 =  8.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  2,3,7-trichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_5Cl_3O_2
! trivial:  PCDD-237
! casrn:    33857-28-2
! inchikey: ZSIZNEVHVVRPFF-UHFFFAOYSA-N
Hvpx___33857_28_2 =  1.1E+00                                  ! [atm] type: Q, ref: 2949
Hvpx___33857_28_2 =  9.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1234
! casrn:    30746-58-8
! inchikey: DJHHDLMTUOLVHY-UHFFFAOYSA-N
Hvpx___30746_58_8 =  1.1E+00                                  ! [atm] type: M, ref: 644
Hvpx___30746_58_8 =  2.0E+00                                  ! [atm] type: V, ref: 2612
Hvpx___30746_58_8 =  3.8E-01                                  ! [atm] type: V, ref: 2612
Hvpx___30746_58_8 =  1.6E+00                                  ! [atm] type: V, ref: 1112
Hvpx___30746_58_8 =  2.1E+00                                  ! [atm] type: V, ref: 854
Hvpx___30746_58_8 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___30746_58_8 =  7.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___30746_58_8 =  3.9E-01                                  ! [atm] type: Q, ref: 2521
Hvpx___30746_58_8 =  2.4E-02                                  ! [atm] type: Q, ref: 2530
Hvpx___30746_58_8 =  8.6E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___30746_58_8 =  6.3E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___30746_58_8 =  7.4E-01                                  ! [atm] type: Q, ref: 1112
Hvpx___30746_58_8 =  1.1E+00                                  ! [atm] type: ?, ref: 3586

! species:  1,2,3,6-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1236
! casrn:    71669-25-5
! inchikey: XEZBZSVTUSXISZ-UHFFFAOYSA-N
Hvpx___71669_25_5 =  6.3E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___71669_25_5 =  6.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,7-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1237
! casrn:    67028-18-6
! inchikey: SKGXYFVQZVPEFP-UHFFFAOYSA-N
Hvpx___67028_18_6 =  4.2E-01                                  ! [atm] type: V, ref: 2612
Hvpx___67028_18_6 =  3.1E-01                                  ! [atm] type: V, ref: 1112
Hvpx___67028_18_6 =  4.2E-01                                  ! [atm] type: V, ref: 854
Hvpx___67028_18_6 =  2.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx___67028_18_6 =  9.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___67028_18_6 =  3.2E-01                                  ! [atm] type: Q, ref: 2521
Hvpx___67028_18_6 =  2.6E-02                                  ! [atm] type: Q, ref: 2530
Hvpx___67028_18_6 =  1.3E+00                                  ! [atm] type: Q, ref: 2915
Hvpx___67028_18_6 =  6.3E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___67028_18_6 =  8.1E-01                                  ! [atm] type: Q, ref: 1112
Hvpx___67028_18_6 =  4.2E-01                                  ! [atm] type: ?, ref: 3586

! species:  1,2,3,8-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1238
! casrn:    53555-02-5
! inchikey: BXKLTNKYLCZOHF-UHFFFAOYSA-N
Hvpx___53555_02_5 =  6.3E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___53555_02_5 =  7.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,9-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1239
! casrn:    71669-26-6
! inchikey: CMVHZKSHSHQJHS-UHFFFAOYSA-N
Hvpx___71669_26_6 =  6.0E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___71669_26_6 =  4.0E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,6-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1246
! casrn:    71669-27-7
! inchikey: KQNBZUDHTCXCNA-UHFFFAOYSA-N
Hvpx___71669_27_7 =  6.7E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___71669_27_7 =  3.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,7-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1247
! casrn:    71669-28-8
! inchikey: SMPHQCMJQUBTFZ-UHFFFAOYSA-N
Hvpx___71669_28_8 =  7.0E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___71669_28_8 =  7.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,8-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1248
! casrn:    71669-29-9
! inchikey: XGIKODBWQSAEFQ-UHFFFAOYSA-N
Hvpx___71669_29_9 =  7.0E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___71669_29_9 =  6.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,9-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1249
! casrn:    71665-99-1
! inchikey: WDAHVJCSSYOALR-UHFFFAOYSA-N
Hvpx___71665_99_1 =  6.7E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___71665_99_1 =  3.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,6,7-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1267
! casrn:    40581-90-6
! inchikey: SAMLAWFHXZIRMP-UHFFFAOYSA-N
Hvpx___40581_90_6 =  5.7E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___40581_90_6 =  9.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,6,8-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1268
! casrn:    67323-56-2
! inchikey: YYUFYZDSYHKVDP-UHFFFAOYSA-N
Hvpx___67323_56_2 =  6.7E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___67323_56_2 =  6.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,6,9-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1269
! casrn:    40581-91-7
! inchikey: ZKMXKYXNLFLUCD-UHFFFAOYSA-N
Hvpx___40581_91_7 =  6.3E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___40581_91_7 =  3.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,7,8-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1278
! casrn:    34816-53-0
! inchikey: YDZCLBKUTXYYKS-UHFFFAOYSA-N
Hvpx___34816_53_0 =  7.0E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___34816_53_0 =  8.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,7,9-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1279
! casrn:    71669-23-3
! inchikey: QIKHBBZEUNSCAF-UHFFFAOYSA-N
Hvpx___71669_23_3 =  6.6E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___71669_23_3 =  4.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,8,9-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1289
! casrn:    62470-54-6
! inchikey: WELWFAGPAZKSBG-UHFFFAOYSA-N
Hvpx___62470_54_6 =  5.6E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___62470_54_6 =  4.0E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,6,8-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1368
! casrn:    33423-92-6
! inchikey: OTQFXRBLGNEOGH-UHFFFAOYSA-N
Hvpx___33423_92_6 =  3.8E+00                                  ! [atm] type: M, ref: 2537
Hvpx___33423_92_6 =  3.9E-01                                  ! [atm] type: V, ref: 1112
Hvpx___33423_92_6 =  3.9E-01                                  ! [atm] type: V, ref: 854
Hvpx___33423_92_6 =  4.5E-01                                  ! [atm] type: Q, ref: 2521
Hvpx___33423_92_6 =  1.9E+00                                  ! [atm] type: Q, ref: 2915
Hvpx___33423_92_6 =  8.1E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___33423_92_6 =  6.3E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,6,9-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1369
! casrn:    71669-24-4
! inchikey: QAUIRDIJIUMMEP-UHFFFAOYSA-N
Hvpx___71669_24_4 =  7.4E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___71669_24_4 =  3.3E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,7,8-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1378
! casrn:    50585-46-1
! inchikey: VPTDIAYLYJBYQG-UHFFFAOYSA-N
Hvpx___50585_46_1 =  7.0E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___50585_46_1 =  6.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,3,7,9-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1379
! casrn:    62470-53-5
! inchikey: JMGYHLJVDHUACM-UHFFFAOYSA-N
Hvpx___62470_53_5 =  7.7E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___62470_53_5 =  3.2E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,4,6,9-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1469
! casrn:    40581-93-9
! inchikey: QTIIAIRUSSSOHT-UHFFFAOYSA-N
Hvpx___40581_93_9 =  6.9E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___40581_93_9 =  2.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,4,7,8-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-1478
! casrn:    40581-94-0
! inchikey: FCRXUTCUWCJZJI-UHFFFAOYSA-N
Hvpx___40581_94_0 =  6.7E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___40581_94_0 =  6.0E-01                                  ! [atm] type: Q, ref: 1112

! species:  2,3,7,8-tetrachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Cl_4O_2
! trivial:  PCDD-2378; TCDD
! casrn:    1746-01-6
! inchikey: HGUFODBRKLSHSI-UHFFFAOYSA-N
Hvpx____1746_01_6 =  2.8E+00                                  ! [atm] type: V, ref: 3586
Hvpx____1746_01_6 =  2.8E+00                                  ! [atm] type: V, ref: 3088
Hvpx____1746_01_6 =  1.8E+00                                  ! [atm] type: V, ref: 2612
Hvpx____1746_01_6 =  1.8E+00                                  ! [atm] type: V, ref: 1112
Hvpx____1746_01_6 =  9.5E-01                                  ! [atm] type: V, ref: 2975
Hvpx____1746_01_6 =  8.9E-01                                  ! [atm] type: V, ref: 854
Hvpx____1746_01_6 =  1.8E+00                                  ! [atm] type: V, ref: 854
Hvpx____1746_01_6 =  5.6E+00                                  ! [atm] type: V, ref: 854
Hvpx____1746_01_6 =  8.7E-01                                  ! [atm] type: V, ref: 2946
Hvpx____1746_01_6 =  1.2E-01                                  ! [atm] type: V, ref: 2947
Hvpx____1746_01_6 =  2.1E+03 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx____1746_01_6 =  1.3E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____1746_01_6 =  1.7E+00                                  ! [atm] type: Q, ref: 2915
Hvpx____1746_01_6 =  6.1E-01                                  ! [atm] type: Q, ref: 2949
Hvpx____1746_01_6 =  8.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,6-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12346
! casrn:    67028-19-7
! inchikey: LNWDBNKKBLRAMH-UHFFFAOYSA-N
Hvpx___67028_19_7 =  3.6E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___67028_19_7 =  3.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,7-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12347
! casrn:    39227-61-7
! inchikey: WRNGAZFESPEMCN-UHFFFAOYSA-N
Hvpx___39227_61_7 =  1.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx___39227_61_7 =  1.5E-01                                  ! [atm] type: V, ref: 2612
Hvpx___39227_61_7 =  1.2E-01                                  ! [atm] type: V, ref: 1112
Hvpx___39227_61_7 =  1.4E-01                                  ! [atm] type: V, ref: 854
Hvpx___39227_61_7 =  1.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___39227_61_7 =  7.8E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___39227_61_7 =  3.8E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___39227_61_7 =  6.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,6,7-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12367
! casrn:    71925-15-0
! inchikey: RLGWDUHOIIWPGN-UHFFFAOYSA-N
Hvpx___71925_15_0 =  3.5E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___71925_15_0 =  7.0E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,6,8-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12368
! casrn:    71925-16-1
! inchikey: VKDGHBBUEIIEHL-UHFFFAOYSA-N
Hvpx___71925_16_1 =  4.1E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___71925_16_1 =  5.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,6,9-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12369
! casrn:    82291-34-7
! inchikey: NWKWRHSKKNELND-UHFFFAOYSA-N
Hvpx___82291_34_7 =  4.0E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___82291_34_7 =  2.8E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,7,8-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12378
! casrn:    40321-76-4
! inchikey: FSPZPQQWDODWAU-UHFFFAOYSA-N
Hvpx___40321_76_4 =  1.1E+04 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___40321_76_4 =  8.6E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___40321_76_4 =  3.6E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___40321_76_4 =  8.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,7,9-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12379
! casrn:    71925-17-2
! inchikey: UAOYHTXYVWEPIB-UHFFFAOYSA-N
Hvpx___71925_17_2 =  4.1E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___71925_17_2 =  3.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,8,9-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12389
! casrn:    71925-18-3
! inchikey: VUMZAVNIADYKFC-UHFFFAOYSA-N
Hvpx___71925_18_3 =  3.5E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___71925_18_3 =  3.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,6,7-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12467
! casrn:    82291-35-8
! inchikey: SEKDDGLKEYEVQK-UHFFFAOYSA-N
Hvpx___82291_35_8 =  3.8E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___82291_35_8 =  3.8E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,6,8-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12468
! casrn:    71998-76-0
! inchikey: SJJWALZHAWITMS-UHFFFAOYSA-N
Hvpx___71998_76_0 =  4.4E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___71998_76_0 =  2.6E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,6,9-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12469
! casrn:    82291-36-9
! inchikey: GNQVSAMSAKZLKE-UHFFFAOYSA-N
Hvpx___82291_36_9 =  4.1E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___82291_36_9 =  1.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,7,8-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12478
! casrn:    58802-08-7
! inchikey: QUPLGUUISJOUPJ-UHFFFAOYSA-N
Hvpx___58802_08_7 =  4.0E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___58802_08_7 =  6.0E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,7,9-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12479
! casrn:    82291-37-0
! inchikey: QLBBXWPVEFJZEC-UHFFFAOYSA-N
Hvpx___82291_37_0 =  4.5E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___82291_37_0 =  3.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,8,9-pentachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_3Cl_5O_2
! trivial:  PCDD-12489
! casrn:    82291-38-1
! inchikey: KLLFLRKEOJCTGC-UHFFFAOYSA-N
Hvpx___82291_38_1 =  4.0E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___82291_38_1 =  2.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,6,7-hexachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_2Cl_6O_2
! trivial:  PCDD-123467
! casrn:    58200-66-1
! inchikey: NLBQVWJHLWAFGJ-UHFFFAOYSA-N
Hvpx___58200_66_1 =  2.2E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___58200_66_1 =  3.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,6,8-hexachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_2Cl_6O_2
! trivial:  PCDD-123468
! casrn:    58200-67-2
! inchikey: IMALTUQZEIFHJW-UHFFFAOYSA-N
Hvpx___58200_67_2 =  2.5E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___58200_67_2 =  3.0E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,6,9-hexachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_2Cl_6O_2
! trivial:  PCDD-123469
! casrn:    58200-68-3
! inchikey: UDYXCMRDCOVQLG-UHFFFAOYSA-N
Hvpx___58200_68_3 =  2.4E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___58200_68_3 =  1.4E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,7,8-hexachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_2Cl_6O_2
! trivial:  PCDD-123478
! casrn:    39227-28-6
! inchikey: WCYYQNSQJHPVMG-UHFFFAOYSA-N
Hvpx___39227_28_6 =  2.2E-01                                  ! [atm] type: V, ref: 3586
Hvpx___39227_28_6 =  1.8E-01                                  ! [atm] type: V, ref: 2612
Hvpx___39227_28_6 =  3.4E-01                                  ! [atm] type: V, ref: 1112
Hvpx___39227_28_6 =  2.5E+00                                  ! [atm] type: V, ref: 854
Hvpx___39227_28_6 =  4.7E+03 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___39227_28_6 =  1.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___39227_28_6 =  7.1E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___39227_28_6 =  2.3E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___39227_28_6 =  7.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,6,7,8-hexachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_2Cl_6O_2
! trivial:  PCDD-123678
! casrn:    57653-85-7
! inchikey: YCLUIPQDHHPDJJ-UHFFFAOYSA-N
Hvpx___57653_85_7 =  8.7E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___57653_85_7 =  1.1E-01                                  ! [atm] type: Q, ref: 3088
Hvpx___57653_85_7 =  7.4E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___57653_85_7 =  2.3E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___57653_85_7 =  7.9E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,6,7,9-hexachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_2Cl_6O_2
! trivial:  PCDD-123679
! casrn:    64461-98-9
! inchikey: BQOHWGKNRKCEFT-UHFFFAOYSA-N
Hvpx___64461_98_9 =  2.5E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___64461_98_9 =  3.2E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,6,8,9-hexachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_2Cl_6O_2
! trivial:  PCDD-123689
! casrn:    58200-69-4
! inchikey: GZRQZUFXVFRKBI-UHFFFAOYSA-N
Hvpx___58200_69_4 =  2.5E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___58200_69_4 =  3.1E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,7,8,9-hexachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_2Cl_6O_2
! trivial:  PCDD-123789
! casrn:    19408-74-3
! inchikey: LGIRBUBHIWTVCK-UHFFFAOYSA-N
Hvpx___19408_74_3 =  2.2E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___19408_74_3 =  1.1E-01                                  ! [atm] type: Q, ref: 3088
Hvpx___19408_74_3 =  4.8E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___19408_74_3 =  2.3E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___19408_74_3 =  4.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,6,7,9-hexachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_2Cl_6O_2
! trivial:  PCDD-124679
! casrn:    39227-62-8
! inchikey: BSJDQMWAWFTDGD-UHFFFAOYSA-N
Hvpx___39227_62_8 =  2.6E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___39227_62_8 =  1.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,4,6,8,9-hexachlorodibenzo-$p$-dioxin
! formula:  C_{12}H_2Cl_6O_2
! trivial:  PCDD-124689
! casrn:    58802-09-8
! inchikey: URELDHWUZUWPIU-UHFFFAOYSA-N
Hvpx___58802_09_8 =  2.7E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___58802_09_8 =  1.3E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,6,7,8-heptachlorodibenzo-$p$-dioxin
! formula:  C_{12}HCl_7O_2
! trivial:  PCDD-1234678
! casrn:    35822-46-9
! inchikey: WCLNVRQZUKYVAI-UHFFFAOYSA-N
Hvpx___35822_46_9 =  9.7E+00                                  ! [atm] type: V, ref: 3586
Hvpx___35822_46_9 =  7.3E-02                                  ! [atm] type: V, ref: 2612
Hvpx___35822_46_9 =  2.4E-01                                  ! [atm] type: V, ref: 1112
Hvpx___35822_46_9 =  7.3E-02                                  ! [atm] type: V, ref: 854
Hvpx___35822_46_9 =  7.3E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx___35822_46_9 =  1.2E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___35822_46_9 =  1.2E+00                                  ! [atm] type: Q, ref: 3088
Hvpx___35822_46_9 =  3.8E-01                                  ! [atm] type: Q, ref: 2915
Hvpx___35822_46_9 =  1.5E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___35822_46_9 =  4.5E-01                                  ! [atm] type: Q, ref: 1112

! species:  1,2,3,4,6,7,9-heptachlorodibenzo-$p$-dioxin
! formula:  C_{12}HCl_7O_2
! trivial:  PCDD-1234679
! casrn:    58200-70-7
! inchikey: KTJJIBIRZGQFQZ-UHFFFAOYSA-N
Hvpx___58200_70_7 =  1.6E-01                                  ! [atm] type: Q, ref: 2949
Hvpx___58200_70_7 =  1.7E-01                                  ! [atm] type: Q, ref: 1112

! species:  octachlorodibenzo-$p$-dioxin
! formula:  C_{12}Cl_8O_2
! trivial:  PCDD-12346789
! casrn:    3268-87-9
! inchikey: FOIBFBMSLDGNHL-UHFFFAOYSA-N
Hvpx____3268_87_9 =  3.7E-01                                  ! [atm] type: V, ref: 3586
Hvpx____3268_87_9 =  3.7E-01                                  ! [atm] type: V, ref: 3088
Hvpx____3268_87_9 =  3.7E-01                                  ! [atm] type: V, ref: 2612
Hvpx____3268_87_9 =  7.2E-01                                  ! [atm] type: V, ref: 1112
Hvpx____3268_87_9 =  3.7E-01                                  ! [atm] type: V, ref: 854
Hvpx____3268_87_9 =  4.9E+04 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: T, ref: 1143
Hvpx____3268_87_9 =  1.4E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____3268_87_9 =  3.2E-01                                  ! [atm] type: Q, ref: 2915
Hvpx____3268_87_9 =  1.0E-01                                  ! [atm] type: Q, ref: 2949
Hvpx____3268_87_9 =  2.8E-01                                  ! [atm] type: Q, ref: 1112

! species:  cyanogen chloride
! formula:  NCCl
! trivial:  
! casrn:    506-77-4
! inchikey: QPJDMGCKMHUXFD-UHFFFAOYSA-N
Hvpx_____506_77_4 =  4.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____506_77_4 =  1.1E+02                                  ! [atm] type: ?, ref: 2440

! species:  N,N-dichloromethylamine
! formula:  CH_3NCl_2
! trivial:  
! casrn:    7651-91-4
! inchikey: DWEYPOWXNBAIDU-UHFFFAOYSA-N
Hvpx____7651_91_4 =  1.7E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx____7651_91_4 =  1.7E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx____7651_91_4 =  1.7E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2821

! species:  chloroacetonitrile
! formula:  C_2H_2ClN
! trivial:  
! casrn:    107-14-2
! inchikey: RENMDAKOXSCIGH-UHFFFAOYSA-N
Hvpx_____107_14_2 =  6.0E-01                                  ! [atm] type: Q, ref: 3088

! species:  dichloroacetonitrile
! formula:  C_2HCl_2N
! trivial:  
! casrn:    3018-12-0
! inchikey: STZZWJCGRKXEFF-UHFFFAOYSA-N
Hvpx____3018_12_0 =  2.1E-01                                  ! [atm] type: Q, ref: 3088

! species:  trichloroacetonitrile
! formula:  C_2Cl_3N
! trivial:  
! casrn:    545-06-2
! inchikey: DRUIESSIVFYOMK-UHFFFAOYSA-N
Hvpx_____545_06_2 =  7.2E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____545_06_2 =  7.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____545_06_2 =  2.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____545_06_2 =  1.4E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____545_06_2 =  5.3E+01                                  ! [atm] type: Q, ref: 2995

! species:  tetramethylammonium chloride
! formula:  C_4H_{12}ClN
! trivial:  
! casrn:    75-57-0
! inchikey: OKIZCWYLBDKLSU-UHFFFAOYSA-M
Hvpx______75_57_0 =  2.3E-07                                  ! [atm] type: Q, ref: 3088

! species:  metformin hydrochloride
! formula:  C_4H_{12}ClN_5
! trivial:  
! casrn:    1115-70-4
! inchikey: OETHQSJEHLVLGH-UHFFFAOYSA-N
Hvpx____1115_70_4 =  4.2E-11                                  ! [atm] type: Q, ref: 3088

! species:  bis(2-chloroethyl)methylamine
! formula:  C_5H_{11}Cl_2N
! trivial:  
! casrn:    51-75-2
! inchikey: HAWPXGHAZFHHAD-UHFFFAOYSA-N
Hvpx______51_75_2 =  1.6E-01                                  ! [atm] type: V, ref: 3586
Hvpx______51_75_2 =  6.5E-01                                  ! [atm] type: Q, ref: 3586

! species:  chlormequat chloride
! formula:  C_5H_{13}Cl_2N
! trivial:  
! casrn:    999-81-5
! inchikey: OLQFELZRGYJRAZ-UHFFFAOYSA-N
Hvpx_____999_81_5 =  1.7E-10                                  ! [atm] type: ?, ref: 3549

! species:  tris(2-chloroethyl)amine
! formula:  C_6H_{12}Cl_3N
! trivial:  
! casrn:    555-77-1
! inchikey: FDAYLTPAFBGXAB-UHFFFAOYSA-N
Hvpx_____555_77_1 =  1.0E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____555_77_1 =  1.0E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____555_77_1 =  7.5E-01                                  ! [atm] type: Q, ref: 3586

! species:  bis(2-chloroethyl)ethylamine
! formula:  C_6H_{13}Cl_2N
! trivial:  ethylbis(2-chloroethyl)amine
! casrn:    538-07-8
! inchikey: UQZPGHOJMQTOHB-UHFFFAOYSA-N
Hvpx_____538_07_8 =  1.9E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____538_07_8 =  1.9E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____538_07_8 =  1.8E+00                                  ! [atm] type: Q, ref: 3586

! species:  cetrimonium chloride
! formula:  C_{19}H_{42}ClN
! trivial:  trimethylhexadecylammonium chloride
! casrn:    112-02-7
! inchikey: WOWHHFRSBJGXCM-UHFFFAOYSA-M
Hvpx_____112_02_7 =  1.6E-05                                  ! [atm] type: Q, ref: 3088

! species:  dimethyldioctadecylammonium chloride
! formula:  C_{38}H_{80}ClN
! trivial:  
! casrn:    107-64-2
! inchikey: REZZEXDLIUJMMS-UHFFFAOYSA-M
Hvpx_____107_64_2 =  3.5E-03                                  ! [atm] type: Q, ref: 3088

! species:  1-amino-2-chlorobenzene
! formula:  C_6H_6ClN
! trivial:  $o$-chloroaniline
! casrn:    95-51-2
! inchikey: AKCRQHGQIJBRMN-UHFFFAOYSA-N
Hvpx______95_51_2 =  2.9E-01 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______95_51_2 =  7.0E-01                                  ! [atm] type: M, ref: 3404
Hvpx______95_51_2 =  3.0E-01                                  ! [atm] type: V, ref: 3586
Hvpx______95_51_2 =  7.2E-01                                  ! [atm] type: V, ref: 3404
Hvpx______95_51_2 =  3.0E-01                                  ! [atm] type: V, ref: 3088
Hvpx______95_51_2 =  4.2E-01                                  ! [atm] type: V, ref: 2614
Hvpx______95_51_2 =  4.1E-01                                  ! [atm] type: V, ref: 477
Hvpx______95_51_2 =  4.2E-01                                  ! [atm] type: V, ref: 636
Hvpx______95_51_2 =  2.3E-01                                  ! [atm] type: V, ref: 1145
Hvpx______95_51_2 =  3.4E-01                                  ! [atm] type: R, ref: 1501
Hvpx______95_51_2 =  7.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______95_51_2 =  2.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx______95_51_2 =  5.7E-03                                  ! [atm] type: Q, ref: 2530
Hvpx______95_51_2 =  2.0E-01                                  ! [atm] type: Q, ref: 2543
Hvpx______95_51_2 =  5.1E-02                                  ! [atm] type: Q, ref: 3764
Hvpx______95_51_2 =  1.0E-01                                  ! [atm] type: Q, ref: 984
Hvpx______95_51_2 =  7.8E-02                                  ! [atm] type: Q, ref: 1145
Hvpx______95_51_2 =  5.0E-01                                  ! [atm] type: ?, ref: 2440

! species:  1-amino-3-chlorobenzene
! formula:  C_6H_6ClN
! trivial:  $m$-chloroaniline
! casrn:    108-42-9
! inchikey: PNPCRKVUWYDDST-UHFFFAOYSA-N
Hvpx_____108_42_9 =  1.2E-01                                  ! [atm] type: M, ref: 3404
Hvpx_____108_42_9 =  5.6E-02                                  ! [atm] type: M, ref: 1195
Hvpx_____108_42_9 =  2.0E-01                                  ! [atm] type: V, ref: 3404
Hvpx_____108_42_9 =  1.2E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____108_42_9 =  1.2E-01                                  ! [atm] type: V, ref: 636
Hvpx_____108_42_9 =  7.3E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____108_42_9 =  7.2E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_42_9 =  6.0E-02                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_42_9 =  6.2E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_42_9 =  1.1E-01                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_42_9 =  7.1E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_42_9 =  1.8E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_42_9 =  1.2E-01                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_42_9 =  1.3E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_42_9 =  3.6E-02                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_42_9 =  1.0E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____108_42_9 =  5.5E-02                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_42_9 =  1.1E-01                                  ! [atm] type: ?, ref: 2440

! species:  1-amino-4-chlorobenzene
! formula:  C_6H_6ClN
! trivial:  $p$-chloroaniline
! casrn:    106-47-8
! inchikey: QSNSCYSYFYORTR-UHFFFAOYSA-N
Hvpx_____106_47_8 =  6.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____106_47_8 =  1.7E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____106_47_8 =  5.4E-02                                  ! [atm] type: V, ref: 2614
Hvpx_____106_47_8 =  6.0E-01                                  ! [atm] type: V, ref: 477
Hvpx_____106_47_8 =  5.4E-02                                  ! [atm] type: V, ref: 636
Hvpx_____106_47_8 =  2.2E-02                                  ! [atm] type: V, ref: 1145
Hvpx_____106_47_8 =  6.3E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____106_47_8 =  1.6E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_47_8 =  5.9E-01                                  ! [atm] type: X, ref: howard89
Hvpx_____106_47_8 =  6.5E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_47_8 =  1.1E-01                                  ! [atm] type: Q, ref: 3579
Hvpx_____106_47_8 =  6.3E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_47_8 =  3.5E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_47_8 =  6.2E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_47_8 =  1.0E-01                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_47_8 =  3.7E-02                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_47_8 =  1.0E-01                                  ! [atm] type: Q, ref: 984
Hvpx_____106_47_8 =  7.8E-02                                  ! [atm] type: Q, ref: 1145

! species:  2,3-dichlorobenzenamine
! formula:  C_6H_5Cl_2N
! trivial:  2,3-dichloroaniline
! casrn:    608-27-5
! inchikey: BRPSAOUFIJSKOT-UHFFFAOYSA-N
Hvpx_____608_27_5 =  8.9E-02                                  ! [atm] type: Q, ref: 3088

! species:  2,4-dichlorobenzenamine
! formula:  C_6H_5Cl_2N
! trivial:  2,4-dichloroaniline
! casrn:    554-00-7
! inchikey: KQCMTOWTPBNWDB-UHFFFAOYSA-N
Hvpx_____554_00_7 =  8.9E-02                                  ! [atm] type: Q, ref: 3088

! species:  3,4-dichlorobenzenamine
! formula:  C_6H_5Cl_2N
! trivial:  3,4-dichloroaniline
! casrn:    95-76-1
! inchikey: SDYWXFYBZPNOFX-UHFFFAOYSA-N
Hvpx______95_76_1 =  8.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx______95_76_1 =  8.1E-01                                  ! [atm] type: V, ref: 3088
Hvpx______95_76_1 =  1.3E+00                                  ! [atm] type: V, ref: 2614
Hvpx______95_76_1 =  1.3E+00                                  ! [atm] type: V, ref: 636
Hvpx______95_76_1 =  3.0E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______95_76_1 =  2.7E-02                                  ! [atm] type: Q, ref: 3764

! species:  3,5-dichlorobenzenamine
! formula:  C_6H_5Cl_2N
! trivial:  3,5-dichloroaniline
! casrn:    626-43-7
! inchikey: UQRLKWGPEVNVHT-UHFFFAOYSA-N
Hvpx_____626_43_7 =  8.7E-02                                  ! [atm] type: Q, ref: 3088

! species:  2,5-dichlorobenzenamine
! formula:  C_6H_5Cl_2N
! trivial:  2,5-dichloroaniline
! casrn:    95-82-9
! inchikey: AVYGCQXNNJPXSS-UHFFFAOYSA-N
Hvpx______95_82_9 =  8.9E-02                                  ! [atm] type: Q, ref: 3088
Hvpx______95_82_9 =  5.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______95_82_9 =  2.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______95_82_9 =  2.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______95_82_9 =  2.8E-02                                  ! [atm] type: Q, ref: 2995

! species:  2,4,5-trichlorobenzenamine
! formula:  C_6H_4Cl_3N
! trivial:  
! casrn:    636-30-6
! inchikey: GUMCAKKKNKYFEB-UHFFFAOYSA-N
Hvpx_____636_30_6 =  4.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____636_30_6 =  2.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____636_30_6 =  5.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____636_30_6 =  3.1E-02                                  ! [atm] type: Q, ref: 2995

! species:  2,4,6-trichlorobenzenamine
! formula:  C_6H_4Cl_3N
! trivial:  
! casrn:    634-93-5
! inchikey: NATVSFWWYVJTAZ-UHFFFAOYSA-N
Hvpx_____634_93_5 =  7.4E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____634_93_5 =  4.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____634_93_5 =  8.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____634_93_5 =  1.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____634_93_5 =  3.6E-02                                  ! [atm] type: Q, ref: 2995

! species:  2,3,4,5,6-pentachloroaniline
! formula:  C_6H_2Cl_5N
! trivial:  
! casrn:    527-20-8
! inchikey: KHCZSJXTDDHLGJ-UHFFFAOYSA-N
Hvpx_____527_20_8 =  2.4E-02                                  ! [atm] type: Q, ref: 3088

! species:  2,6-dichlorobenzenenitrile
! formula:  C_6H_3Cl_2CN
! trivial:  dichlobenil
! casrn:    1194-65-6
! inchikey: YOYAIZYFCNQIRF-UHFFFAOYSA-N
Hvpx____1194_65_6 =  1.1E+00 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1331
Hvpx____1194_65_6 =  5.6E-01                                  ! [atm] type: V, ref: 3586
Hvpx____1194_65_6 =  5.5E-01                                  ! [atm] type: V, ref: 3088
Hvpx____1194_65_6 =  3.7E-01                                  ! [atm] type: V, ref: 2614
Hvpx____1194_65_6 =  4.0E-01                                  ! [atm] type: V, ref: 2165
Hvpx____1194_65_6 =  3.7E-01                                  ! [atm] type: V, ref: 1157
Hvpx____1194_65_6 =  3.9E-01                                  ! [atm] type: V, ref: 2968
Hvpx____1194_65_6 =  3.7E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx____1194_65_6 =  1.5E+00                                  ! [atm] type: Q, ref: 3586
Hvpx____1194_65_6 =  3.7E+01                                  ! [atm] type: Q, ref: 3729
Hvpx____1194_65_6 =  1.5E+00                                  ! [atm] type: Q, ref: 2530

! species:  (2,4,6-trichlorophenyl)hydrazine
! formula:  C_6H_5Cl_3N_2
! trivial:  
! casrn:    5329-12-4
! inchikey: MULHANRBCQBHII-UHFFFAOYSA-N
Hvpx____5329_12_4 =  1.8E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____5329_12_4 =  1.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____5329_12_4 =  4.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____5329_12_4 =  1.0E-04                                  ! [atm] type: Q, ref: 2995

! species:  4-chlorobenzonitrile
! formula:  C_7H_4ClN
! trivial:  
! casrn:    623-03-0
! inchikey: GJNGXPDXRVXSEH-UHFFFAOYSA-N
Hvpx_____623_03_0 =  2.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____623_03_0 =  1.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____623_03_0 =  3.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____623_03_0 =  1.2E+00                                  ! [atm] type: Q, ref: 2995

! species:  3-chloro-2-methylbenzenamine
! formula:  C_7H_8ClN
! trivial:  
! casrn:    87-60-5
! inchikey: ZUVPLKVDZNDZCM-UHFFFAOYSA-N
Hvpx______87_60_5 =  8.6E-02                                  ! [atm] type: Q, ref: 3088

! species:  3-chloro-4-methylbenzenamine
! formula:  C_7H_8ClN
! trivial:  
! casrn:    95-74-9
! inchikey: RQKFYFNZSHWXAW-UHFFFAOYSA-N
Hvpx______95_74_9 =  1.1E-01                                  ! [atm] type: Q, ref: 3088

! species:  4-chloro-2-methylbenzenamine
! formula:  C_7H_8ClN
! trivial:  
! casrn:    95-69-2
! inchikey: CXNVOWPRHWWCQR-UHFFFAOYSA-N
Hvpx______95_69_2 =  1.1E-01                                  ! [atm] type: Q, ref: 3088

! species:  5-chloro-2-methylbenzenamine
! formula:  C_7H_8ClN
! trivial:  
! casrn:    95-79-4
! inchikey: WRZOMWDJOLIVQP-UHFFFAOYSA-N
Hvpx______95_79_4 =  8.6E-02                                  ! [atm] type: Q, ref: 3088

! species:  2,4,5,6-tetrachloro-1,3-dicyanobenzene
! formula:  C_8Cl_4N_2
! trivial:  chlorothalonil
! casrn:    1897-45-6
! inchikey: CRQQGFGUEAVUIL-UHFFFAOYSA-N
Hvpx____1897_45_6 =  1.1E-02                                  ! [atm] type: M, ref: 2229
Hvpx____1897_45_6 =  3.2E+01                                  ! [atm] type: V, ref: 2614
Hvpx____1897_45_6 =  1.4E-02                                  ! [atm] type: X, ref: macbean2012
Hvpx____1897_45_6 =  1.2E-02                                  ! [atm] type: C, ref: 3073
Hvpx____1897_45_6 =  1.3E+00                                  ! [atm] type: Q, ref: 3730
Hvpx____1897_45_6 =  3.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx____1897_45_6 =  8.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____1897_45_6 =  3.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1897_45_6 =  8.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____1897_45_6 =  2.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____1897_45_6 =  9.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx____1897_45_6 =  2.3E-02                                  ! [atm] type: Q, ref: 2530
Hvpx____1897_45_6 =  8.4E-03                                  ! [atm] type: Q, ref: 1145
Hvpx____1897_45_6 =  1.1E-01                                  ! [atm] type: ?, ref: 3586

! species:  2-chlorobenzalmalononitrile
! formula:  C_{10}H_5ClN_2
! trivial:  
! casrn:    2698-41-1
! inchikey: JJNZXLAFIPKXIG-UHFFFAOYSA-N
Hvpx____2698_41_1 =  5.5E-04                                  ! [atm] type: Q, ref: 3088

! species:  benzyltrimethylammonium chloride
! formula:  C_{10}H_{16}ClN
! trivial:  
! casrn:    56-93-9
! inchikey: KXHPPCXNWTUNSB-UHFFFAOYSA-M
Hvpx______56_93_9 =  1.9E-09                                  ! [atm] type: Q, ref: 3088

! species:  chlordimeform
! formula:  C_{10}H_{13}ClN_2
! trivial:  
! casrn:    6164-98-3
! inchikey: STUSTWKEFDQFFZ-UHFFFAOYSA-N
Hvpx____6164_98_3 =  1.9E-02                                  ! [atm] type: V, ref: 3088
Hvpx____6164_98_3 =  2.1E-02                                  ! [atm] type: ?, ref: 3087

! species:  4,4'-dichloroazobenzene
! formula:  C_{12}H_8Cl_2N_2
! trivial:  
! casrn:    1602-00-2
! inchikey: XHQLXCFUPJSGOE-UHFFFAOYSA-N
Hvpx____1602_00_2 =  4.5E-01                                  ! [atm] type: Q, ref: 3088

! species:  bis(3,4-dichlorophenyl)diazene
! formula:  C_{12}H_6Cl_4N_2
! trivial:  3,4,3',4'-tetrachloroazobenzene
! casrn:    14047-09-7
! inchikey: SOBGIMQKWDUEPY-UHFFFAOYSA-N
Hvpx___14047_09_7 =  2.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  2-($p$-chlorophenyl)-3-methylbutyronitrile
! formula:  C_{11}H_{12}ClN
! trivial:  
! casrn:    2012-81-9
! inchikey: RBGSZIRWNWQDOK-UHFFFAOYSA-N
Hvpx____2012_81_9 =  2.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____2012_81_9 =  1.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____2012_81_9 =  1.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____2012_81_9 =  1.9E+00                                  ! [atm] type: Q, ref: 2995

! species:  3,3'-dichloro-(1,1'-biphenyl)-4,4'-diamine
! formula:  C_{12}H_{10}Cl_2N_2
! trivial:  3,3'-dichlorobenzidine
! casrn:    91-94-1
! inchikey: HUWXDEQWWKGHRV-UHFFFAOYSA-N
Hvpx______91_94_1 =  2.7E-03                                  ! [atm] type: V, ref: 2614
Hvpx______91_94_1 =  2.7E-03                                  ! [atm] type: V, ref: 636
Hvpx______91_94_1 =  4.4E-02                                  ! [atm] type: C, ref: 636
Hvpx______91_94_1 =  1.5E-06                                  ! [atm] type: Q, ref: 3088

! species:  4-chloroazobenzene
! formula:  C_{12}H_9ClN_2
! trivial:  
! casrn:    4340-77-6
! inchikey: NJFDMENHTAYHMA-UHFFFAOYSA-N
Hvpx____4340_77_6 =  7.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx____4340_77_6 =  2.5E-01                                  ! [atm] type: Q, ref: 3586

! species:  4,4'-methylenebis(2-chlorobenzenamine)
! formula:  C_{13}H_{12}Cl_2N_2
! trivial:  
! casrn:    101-14-4
! inchikey: IBOFVQJTBBUKMU-UHFFFAOYSA-N
Hvpx_____101_14_4 =  6.1E-07                                  ! [atm] type: Q, ref: 3088
Hvpx_____101_14_4 =  1.8E-06                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_14_4 =  1.6E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_14_4 =  1.9E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_14_4 =  5.6E-07                                  ! [atm] type: Q, ref: 2995

! species:  clofentezine
! formula:  C_{14}H_8N_4Cl_2
! trivial:  
! casrn:    74115-24-5
! inchikey: UXADOQPNKNTIHB-UHFFFAOYSA-N
Hvpx___74115_24_5 =  2.2E-05                                  ! [atm] type: V, ref: 3586
Hvpx___74115_24_5 =  3.2E-05                                  ! [atm] type: Q, ref: 3586

! species:  aniline, 4,4'-(imidocarbonyl)bis-(N,N-dimethyl)-, hydrochloride
! formula:  C_{17}H_{22}ClN_3
! trivial:  auramine hydrochloride
! casrn:    2465-27-2
! inchikey: KSCQDDRPFHTIRL-UHFFFAOYSA-N
Hvpx____2465_27_2 =  1.5E-11                                  ! [atm] type: Q, ref: 3088

! species:  amitriptyline hydrochloride
! formula:  C_{20}H_{24}ClN
! trivial:  
! casrn:    549-18-8
! inchikey: KFYRPLNVJVHZGT-UHFFFAOYSA-N
Hvpx_____549_18_8 =  3.9E-03                                  ! [atm] type: Q, ref: 3088

! species:  chlorhexidine
! formula:  C_{22}H_{30}Cl_2N_{10}
! trivial:  
! casrn:    55-56-1
! inchikey: GHXZTYHSJHQHIJ-UHFFFAOYSA-N
Hvpx______55_56_1 =  6.1E-26                                  ! [atm] type: Q, ref: 3088

! species:  malachite green
! formula:  C_{23}H_{25}ClN_2
! trivial:  
! casrn:    569-64-2
! inchikey: FDZZZRQASAIRJF-UHFFFAOYSA-M
Hvpx_____569_64_2 =  1.1E-09                                  ! [atm] type: Q, ref: 3088

! species:  tetradecylbenzyldimethyl ammonium chloride
! formula:  C_{23}H_{42}ClN
! trivial:  
! casrn:    139-08-2
! inchikey: OCBHHZMJRVXXQK-UHFFFAOYSA-M
Hvpx_____139_08_2 =  7.2E-07                                  ! [atm] type: Q, ref: 3088

! species:  stearyldimethylbenzylammonium chloride
! formula:  C_{27}H_{50}ClN
! trivial:  benzyldimethylstearylammonium chloride
! casrn:    122-19-0
! inchikey: SFVFIFLLYFPGHH-UHFFFAOYSA-M
Hvpx_____122_19_0 =  2.3E-06                                  ! [atm] type: Q, ref: 3088

! species:  2,4,6-trichloro-1,3,5-triazine
! formula:  C_3Cl_3N_3
! trivial:  
! casrn:    108-77-0
! inchikey: MGNCLNQXLYJVJD-UHFFFAOYSA-N
Hvpx_____108_77_0 =  2.7E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____108_77_0 =  2.7E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____108_77_0 =  2.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____108_77_0 =  1.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____108_77_0 =  6.9E-02                                  ! [atm] type: Q, ref: 2995

! species:  2-chloropyridine
! formula:  C_5H_4ClN
! trivial:  
! casrn:    109-09-1
! inchikey: OKDGRDCXVWSXDC-UHFFFAOYSA-N
Hvpx_____109_09_1 =  7.4E-01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2378
Hvpx_____109_09_1 =  9.0E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____109_09_1 =  2.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_09_1 =  9.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_09_1 =  5.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_09_1 =  8.2E-01                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_09_1 =  1.9E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_09_1 =  6.8E+00                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_09_1 =  3.6E-02                                  ! [atm] type: Q, ref: 984

! species:  3-chloropyridine
! formula:  C_5H_4ClN
! trivial:  
! casrn:    626-60-8
! inchikey: PWRBCZZQRRPXAB-UHFFFAOYSA-N
Hvpx_____626_60_8 =  1.6E+00 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2378
Hvpx_____626_60_8 =  1.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____626_60_8 =  6.5E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____626_60_8 =  1.5E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____626_60_8 =  1.9E+00                                  ! [atm] type: Q, ref: 2543
Hvpx_____626_60_8 =  3.7E-02                                  ! [atm] type: Q, ref: 984

! species:  2,3,4,6-tetrachloropyridine
! formula:  C_5HCl_4N
! trivial:  
! casrn:    14121-36-9
! inchikey: FZFNDUTVMQOPCT-UHFFFAOYSA-N
Hvpx___14121_36_9 =  4.7E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___14121_36_9 =  4.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___14121_36_9 =  6.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___14121_36_9 =  1.9E+00                                  ! [atm] type: Q, ref: 2995

! species:  2,3,5,6-tetrachloropyridine
! formula:  C_5HCl_4N
! trivial:  
! casrn:    2402-79-1
! inchikey: FATBKZJZAHWCSL-UHFFFAOYSA-N
Hvpx____2402_79_1 =  4.7E+02                                  ! [atm] type: Q, ref: 3088
Hvpx____2402_79_1 =  4.7E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____2402_79_1 =  1.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____2402_79_1 =  6.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____2402_79_1 =  2.8E+00                                  ! [atm] type: Q, ref: 2995

! species:  pentachloropyridine
! formula:  C_5Cl_5N
! trivial:  
! casrn:    2176-62-7
! inchikey: DNDPLEAVNVOOQZ-UHFFFAOYSA-N
Hvpx____2176_62_7 =  3.5E+02                                  ! [atm] type: Q, ref: 3088
Hvpx____2176_62_7 =  3.5E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____2176_62_7 =  4.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____2176_62_7 =  2.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____2176_62_7 =  3.1E+00                                  ! [atm] type: Q, ref: 2995

! species:  desethylatrazine
! formula:  C_6H_{10}ClN_5
! trivial:  
! casrn:    6190-65-4
! inchikey: DFWFIQKMSFGDCQ-UHFFFAOYSA-N
Hvpx____6190_65_4 =  8.3E-05                                  ! [atm] type: Q, ref: 3088

! species:  2-chloro-6-(trichloromethyl)-pyridine
! formula:  C_6H_3Cl_4N
! trivial:  
! casrn:    1929-82-4
! inchikey: DCUJJWWUNKIJPH-UHFFFAOYSA-N
Hvpx____1929_82_4 =  8.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1929_82_4 =  3.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1929_82_4 =  2.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1929_82_4 =  1.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1929_82_4 =  3.1E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____1929_82_4 =  9.3E-01                                  ! [atm] type: Q, ref: 2530

! species:  2,3,4,5-tetrachloro-6-methylpyridine
! formula:  C_6H_3Cl_4N
! trivial:  
! casrn:    10469-02-0
! inchikey: OZLPEWBQZDDFCQ-UHFFFAOYSA-N
Hvpx___10469_02_0 =  8.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___10469_02_0 =  1.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___10469_02_0 =  1.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___10469_02_0 =  4.8E+00                                  ! [atm] type: Q, ref: 2995

! species:  2-chloro-5-(trichloromethyl)pyridine
! formula:  C_6H_3Cl_4N
! trivial:  
! casrn:    69045-78-9
! inchikey: VLJIVLGVKMTBOD-UHFFFAOYSA-N
Hvpx___69045_78_9 =  8.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___69045_78_9 =  2.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___69045_78_9 =  7.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___69045_78_9 =  1.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  2,3-dichloro-5-(trichloromethyl)pyridine
! formula:  C_6H_2Cl_5N
! trivial:  
! casrn:    69045-83-6
! inchikey: XVBWGQSXLITICX-UHFFFAOYSA-N
Hvpx___69045_83_6 =  6.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___69045_83_6 =  1.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___69045_83_6 =  3.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___69045_83_6 =  8.9E-01                                  ! [atm] type: Q, ref: 2995

! species:  2,5-dichloro-6-(trichloromethyl)pyridine
! formula:  C_6H_2Cl_5N
! trivial:  
! casrn:    1817-13-6
! inchikey: MWFCRQNUHFSUNY-UHFFFAOYSA-N
Hvpx____1817_13_6 =  6.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1817_13_6 =  4.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1817_13_6 =  5.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1817_13_6 =  9.6E-01                                  ! [atm] type: Q, ref: 2995

! species:  3,4,5-trichloro-2-(trichloromethyl)pyridine
! formula:  C_6HCl_6N
! trivial:  
! casrn:    1201-30-5
! inchikey: YWSFDYUMEBEQNZ-UHFFFAOYSA-N
Hvpx____1201_30_5 =  7.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____1201_30_5 =  6.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1201_30_5 =  5.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1201_30_5 =  1.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  2,3,4,5-tetrachloro-6-(trichloromethyl)pyridine
! formula:  C_6Cl_7N
! trivial:  
! casrn:    1134-04-9
! inchikey: YMBFWRZKTZICHS-UHFFFAOYSA-N
Hvpx____1134_04_9 =  3.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1134_04_9 =  8.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1134_04_9 =  7.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1134_04_9 =  2.4E+00                                  ! [atm] type: Q, ref: 2995

! species:  3,4,5,6-tetrachloropyridine-2-carbonitrile
! formula:  C_6Cl_4N_2
! trivial:  
! casrn:    17824-83-8
! inchikey: KFPBGJYBKSQIAI-UHFFFAOYSA-N
Hvpx___17824_83_8 =  7.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___17824_83_8 =  3.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___17824_83_8 =  6.8E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___17824_83_8 =  3.6E-02                                  ! [atm] type: Q, ref: 2995

! species:  4-amino-3,5,6-trichloropyridine-2-carbonitrile
! formula:  C_6H_2Cl_3N_3
! trivial:  
! casrn:    14143-60-3
! inchikey: AZYYQVGBVUCIEO-UHFFFAOYSA-N
Hvpx___14143_60_3 =  3.4E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___14143_60_3 =  4.9E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___14143_60_3 =  6.0E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___14143_60_3 =  5.4E-06                                  ! [atm] type: Q, ref: 2995

! species:  crimidine
! formula:  C_7H_{10}ClN_3
! trivial:  
! casrn:    535-89-7
! inchikey: HJIUPFPIEBPYIE-UHFFFAOYSA-N
Hvpx_____535_89_7 =  2.1E-03                                  ! [atm] type: Q, ref: 3088

! species:  simazine
! formula:  C_7H_{12}ClN_5
! trivial:  
! casrn:    122-34-9
! inchikey: ODCWYMIRDDJXKW-UHFFFAOYSA-N
Hvpx_____122_34_9 =  5.2E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____122_34_9 =  1.9E-04                                  ! [atm] type: V, ref: 2614
Hvpx_____122_34_9 =  1.9E-04                                  ! [atm] type: V, ref: 1157
Hvpx_____122_34_9 =  3.4E-05                                  ! [atm] type: V, ref: 2452
Hvpx_____122_34_9 =  1.9E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx_____122_34_9 =  8.7E-09                                  ! [atm] type: C, ref: 1931
Hvpx_____122_34_9 =  5.1E-05                                  ! [atm] type: C, ref: 1931
Hvpx_____122_34_9 =  6.0E-03                                  ! [atm] type: Q, ref: 3729
Hvpx_____122_34_9 =  3.2E-04                                  ! [atm] type: Q, ref: 2521
Hvpx_____122_34_9 =  7.6E-05                                  ! [atm] type: Q, ref: 2526
Hvpx_____122_34_9 =  1.0E-06                                  ! [atm] type: Q, ref: 1931
Hvpx_____122_34_9 =  1.4E-07                                  ! [atm] type: Q, ref: 1931

! species:  desethylterbuthylazine
! formula:  C_7H_{12}ClN_5
! trivial:  
! casrn:    30125-63-4
! inchikey: LMKQNTMFZLAJDV-UHFFFAOYSA-N
Hvpx___30125_63_4 =  2.5E-04                                  ! [atm] type: V, ref: 2836

! species:  mepiquat chloride
! formula:  C_7H_{16}NCl
! trivial:  
! casrn:    24307-26-4
! inchikey: VHOVSQVSAAQANU-UHFFFAOYSA-M
Hvpx___24307_26_4 =  1.6E-12                                  ! [atm] type: ?, ref: 3549

! species:  atrazine
! formula:  C_8H_{14}ClN_5
! trivial:  
! casrn:    1912-24-9
! inchikey: MXWJVTOOROXGIU-UHFFFAOYSA-N
Hvpx____1912_24_9 =  2.8E-04                                  ! [atm] type: L, ref: 2965
Hvpx____1912_24_9 =  1.6E-04                                  ! [atm] type: V, ref: 2614
Hvpx____1912_24_9 =  5.5E-04                                  ! [atm] type: V, ref: 2967
Hvpx____1912_24_9 =  1.6E-04                                  ! [atm] type: V, ref: 2966
Hvpx____1912_24_9 =  1.6E-04                                  ! [atm] type: V, ref: 1157
Hvpx____1912_24_9 =  2.7E-04                                  ! [atm] type: V, ref: 2452
Hvpx____1912_24_9 =  1.6E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx____1912_24_9 =  6.6E-08                                  ! [atm] type: C, ref: 1931
Hvpx____1912_24_9 =  1.3E-04                                  ! [atm] type: C, ref: 1931
Hvpx____1912_24_9 =  7.6E-03                                  ! [atm] type: Q, ref: 3729
Hvpx____1912_24_9 =  7.6E-04                                  ! [atm] type: Q, ref: 2521
Hvpx____1912_24_9 =  1.1E-04                                  ! [atm] type: Q, ref: 2526
Hvpx____1912_24_9 =  2.0E-05                                  ! [atm] type: Q, ref: 1931
Hvpx____1912_24_9 =  1.4E-06                                  ! [atm] type: Q, ref: 1931

! species:  clonidine
! formula:  C_9H_9Cl_2N_3
! trivial:  
! casrn:    4205-90-7
! inchikey: GJSURZIOUXUGAL-UHFFFAOYSA-N
Hvpx____4205_90_7 =  8.3E-07                                  ! [atm] type: Q, ref: 3088

! species:  cyprazine
! formula:  C_9H_{12}ClN_5
! trivial:  
! casrn:    22936-86-3
! inchikey: OOHIAOSLOGDBCE-UHFFFAOYSA-N
Hvpx___22936_86_3 =  7.2E-05                                  ! [atm] type: V, ref: 3586
Hvpx___22936_86_3 =  7.1E-06                                  ! [atm] type: Q, ref: 3586
Hvpx___22936_86_3 =  1.4E-04                                  ! [atm] type: Q, ref: 3088

! species:  propazine
! formula:  C_9H_{16}ClN_5
! trivial:  
! casrn:    139-40-2
! inchikey: WJNRPILHGGKWCK-UHFFFAOYSA-N
Hvpx_____139_40_2 =  2.5E-04                                  ! [atm] type: V, ref: 3088
Hvpx_____139_40_2 =  5.5E-05                                  ! [atm] type: V, ref: 1157
Hvpx_____139_40_2 =  5.5E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx_____139_40_2 =  3.2E-03                                  ! [atm] type: Q, ref: 3729
Hvpx_____139_40_2 =  1.5E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____139_40_2 =  1.4E-04                                  ! [atm] type: Q, ref: 2526

! species:  sebuthylazine
! formula:  C_9H_{16}ClN_5
! trivial:  
! casrn:    7286-69-3
! inchikey: BZRUVKZGXNSXMB-UHFFFAOYSA-N
Hvpx____7286_69_3 =  6.5E-04                                  ! [atm] type: ?, ref: 3766

! species:  terbuthylazine
! formula:  C_9H_{16}ClN_5
! trivial:  
! casrn:    5915-41-3
! inchikey: FZXISNSWEXTPMF-UHFFFAOYSA-N
Hvpx____5915_41_3 =  1.3E-03                                  ! [atm] type: V, ref: 3088
Hvpx____5915_41_3 =  2.2E-03                                  ! [atm] type: V, ref: 2614
Hvpx____5915_41_3 =  2.2E-03                                  ! [atm] type: V, ref: 2836
Hvpx____5915_41_3 =  2.2E-03                                  ! [atm] type: V, ref: 2967
Hvpx____5915_41_3 =  1.9E-03                                  ! [atm] type: Q, ref: 2521
Hvpx____5915_41_3 =  6.0E-04                                  ! [atm] type: Q, ref: 2526
Hvpx____5915_41_3 =  1.3E-03                                  ! [atm] type: ?, ref: 3549

! species:  cyanazine
! formula:  C_9H_{13}ClN_6
! trivial:  
! casrn:    21725-46-2
! inchikey: MZZBPDKVEFVLFF-UHFFFAOYSA-N
Hvpx___21725_46_2 =  1.6E-07                                  ! [atm] type: V, ref: 2614
Hvpx___21725_46_2 =  1.7E-05                                  ! [atm] type: X, ref: barcelo97
Hvpx___21725_46_2 =  6.6E-11                                  ! [atm] type: C, ref: 1931
Hvpx___21725_46_2 =  1.4E-07                                  ! [atm] type: C, ref: 1931
Hvpx___21725_46_2 =  5.7E-03                                  ! [atm] type: Q, ref: 3729
Hvpx___21725_46_2 =  8.5E-07                                  ! [atm] type: Q, ref: 2521
Hvpx___21725_46_2 =  2.7E-07                                  ! [atm] type: Q, ref: 2526
Hvpx___21725_46_2 =  1.2E-07                                  ! [atm] type: Q, ref: 1931
Hvpx___21725_46_2 =  5.3E-10                                  ! [atm] type: Q, ref: 1931

! species:  anilazine
! formula:  C_9H_5Cl_3N_4
! trivial:  
! casrn:    101-05-3
! inchikey: IMHBYKMAHXWHRP-UHFFFAOYSA-N
Hvpx_____101_05_3 =  1.5E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____101_05_3 =  1.5E-05                                  ! [atm] type: V, ref: 2614
Hvpx_____101_05_3 =  1.9E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_05_3 =  4.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_05_3 =  5.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_05_3 =  1.0E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_05_3 =  1.5E-05                                  ! [atm] type: ?, ref: 3087

! species:  4,7-dichloroquinoline
! formula:  C_9H_5Cl_2N
! trivial:  
! casrn:    86-98-6
! inchikey: HXEWMTXDBOQQKO-UHFFFAOYSA-N
Hvpx______86_98_6 =  2.1E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______86_98_6 =  8.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______86_98_6 =  3.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______86_98_6 =  7.8E-02                                  ! [atm] type: Q, ref: 2995

! species:  fenclorim
! formula:  C_{10}H_6Cl_2N_2
! trivial:  
! casrn:    3740-92-9
! inchikey: NRFQZTCQAYEXEE-UHFFFAOYSA-N
Hvpx____3740_92_9 =  9.8E-01                                  ! [atm] type: ?, ref: 3766

! species:  acetamiprid
! formula:  C_{10}H_{11}ClN_4
! trivial:  
! casrn:    135410-20-7
! inchikey: WCXDHFDTOYPNIE-UHFFFAOYSA-N
Hvpx__135410_20_7 =  3.8E-03                                  ! [atm] type: Q, ref: 3088
Hvpx__135410_20_7 =  2.9E-08                                  ! [atm] type: ?, ref: 3549

! species:  pyrimethamine
! formula:  C_{12}H_{13}ClN_4
! trivial:  
! casrn:    58-14-0
! inchikey: WKSAUQYGYAYLPV-UHFFFAOYSA-N
Hvpx______58_14_0 =  6.0E-06                                  ! [atm] type: Q, ref: 3088

! species:  penconazole
! formula:  C_{13}H_{15}Cl_2N_3
! trivial:  
! casrn:    66246-88-6
! inchikey: WKBPZYKAUNRMKP-UHFFFAOYSA-N
Hvpx___66246_88_6 =  7.9E-04                                  ! [atm] type: V, ref: 3586
Hvpx___66246_88_6 =  4.5E-04                                  ! [atm] type: V, ref: 2614
Hvpx___66246_88_6 =  2.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___66246_88_6 =  3.6E-04                                  ! [atm] type: ?, ref: 3549

! species:  myclobutanil
! formula:  C_{15}H_{17}ClN_4
! trivial:  
! casrn:    88671-89-0
! inchikey: HZJKXKUJVSEEFU-UHFFFAOYSA-N
Hvpx___88671_89_0 =  2.4E-04                                  ! [atm] type: V, ref: 3586
Hvpx___88671_89_0 =  2.4E-04                                  ! [atm] type: V, ref: 3088
Hvpx___88671_89_0 =  2.5E-03                                  ! [atm] type: Q, ref: 3586
Hvpx___88671_89_0 =  2.4E-04                                  ! [atm] type: ?, ref: 3549

! species:  2-chloro-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
! formula:  C_{19}H_{18}N_3Cl
! trivial:  
! casrn:    1237-53-2
! inchikey: LVWOBZPDFCTAOU-UHFFFAOYSA-N
Hvpx____1237_53_2 =  4.4E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____1237_53_2 =  4.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____1237_53_2 =  7.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____1237_53_2 =  4.4E-04                                  ! [atm] type: Q, ref: 2995

! species:  fenbuconazole
! formula:  C_{19}H_{17}ClN_4
! trivial:  
! casrn:    114369-43-6
! inchikey: RQDJADAKIFFEKQ-UHFFFAOYSA-N
Hvpx__114369_43_6 =  1.6E-05                                  ! [atm] type: ?, ref: 3549

! species:  trichloronitromethane
! formula:  CCl_3NO_2
! trivial:  chloropicrin
! casrn:    76-06-2
! inchikey: LFHISGNCFUNFFM-UHFFFAOYSA-N
Hvpx______76_06_2 =  1.2E+02                                  ! [atm] type: L, ref: 3500
Hvpx______76_06_2 =  1.2E+02                                  ! [atm] type: L, ref: 3245
Hvpx______76_06_2 =  1.2E+02                                  ! [atm] type: L, ref: 2626
Hvpx______76_06_2 =  1.2E+02                                  ! [atm] type: M, ref: 2804
Hvpx______76_06_2 =  1.4E+02                                  ! [atm] type: M, ref: 3646
Hvpx______76_06_2 =  1.1E+02                                  ! [atm] type: M, ref: 2229
Hvpx______76_06_2 =  1.1E+02                                  ! [atm] type: V, ref: 1157
Hvpx______76_06_2 =  1.1E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______76_06_2 =  2.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______76_06_2 =  2.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______76_06_2 =  1.8E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______76_06_2 =  1.1E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______76_06_2 =  4.2E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______76_06_2 =  1.1E+02                                  ! [atm] type: ?, ref: 3586

! species:  phosgene oxime
! formula:  CHCl_2NO
! trivial:  
! casrn:    1794-86-1
! inchikey: JIRJHEXNDQBKRZ-UHFFFAOYSA-N
Hvpx____1794_86_1 =  3.0E-02                                  ! [atm] type: Q, ref: 3088

! species:  1,1-dichloro-1-nitroethane
! formula:  C_2H_3Cl_2NO_2
! trivial:  
! casrn:    594-72-9
! inchikey: OQOGEOLRYAOSKO-UHFFFAOYSA-N
Hvpx_____594_72_9 =  7.1E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____594_72_9 =  4.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____594_72_9 =  7.1E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____594_72_9 =  2.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____594_72_9 =  5.0E+00                                  ! [atm] type: Q, ref: 2530

! species:  2-chloroacetamide
! formula:  C_2H_4ClNO
! trivial:  
! casrn:    79-07-2
! inchikey: VXIVSQZSERGHQP-UHFFFAOYSA-N
Hvpx______79_07_2 =  2.2E-04                                  ! [atm] type: Q, ref: 3088

! species:  MCM:CCL3PAN
! formula:  C_2NO_5Cl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LLOMRHYBAIQQGH-UHFFFAOYSA-N
Hvpx_LLOMRHYBAIQQGH_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_LLOMRHYBAIQQGH_UHFFFAOYSA_N =  7.5E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_LLOMRHYBAIQQGH_UHFFFAOYSA_N =  1.5E+04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CCLNO3COOH
! formula:  C_2H_4NO_5Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: GVGGZHVOOFUNFY-UHFFFAOYSA-N
Hvpx_GVGGZHVOOFUNFY_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GVGGZHVOOFUNFY_UHFFFAOYSA_N =  2.1E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_GVGGZHVOOFUNFY_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CHCL2PAN
! formula:  C_2HNO_5Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BORKLXDOXKHVRO-UHFFFAOYSA-N
Hvpx_BORKLXDOXKHVRO_UHFFFAOYSA_N =  2.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BORKLXDOXKHVRO_UHFFFAOYSA_N =  3.4E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_BORKLXDOXKHVRO_UHFFFAOYSA_N =  1.1E+03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CLETPAN
! formula:  C_2H_2NO_5Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: IEQWXJNETVFAEB-UHFFFAOYSA-N
Hvpx_IEQWXJNETVFAEB_UHFFFAOYSA_N =  5.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IEQWXJNETVFAEB_UHFFFAOYSA_N =  1.6E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_IEQWXJNETVFAEB_UHFFFAOYSA_N =  1.3E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CNO3CLOOH
! formula:  C_2H_4NO_5Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: FBIXZLOOAAICML-UHFFFAOYSA-N
Hvpx_FBIXZLOOAAICML_UHFFFAOYSA_N =  2.6E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FBIXZLOOAAICML_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_FBIXZLOOAAICML_UHFFFAOYSA_N =  6.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CCLNO3COH
! formula:  C_2H_4NO_4Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: PMLDKFZZOPGPNK-UHFFFAOYSA-N
Hvpx_PMLDKFZZOPGPNK_UHFFFAOYSA_N =  3.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_PMLDKFZZOPGPNK_UHFFFAOYSA_N =  7.7E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_PMLDKFZZOPGPNK_UHFFFAOYSA_N =  7.0E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CL2OHPAN
! formula:  C_2HNO_6Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: YJZUCQDIDXVPNP-UHFFFAOYSA-N
Hvpx_YJZUCQDIDXVPNP_UHFFFAOYSA_N =  1.4E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_YJZUCQDIDXVPNP_UHFFFAOYSA_N =  3.7E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_YJZUCQDIDXVPNP_UHFFFAOYSA_N =  3.8E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CLOHPAN
! formula:  C_2H_2NO_6Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZNYKQWDXHYNGTP-UHFFFAOYSA-N
Hvpx_ZNYKQWDXHYNGTP_UHFFFAOYSA_N =  1.3E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_ZNYKQWDXHYNGTP_UHFFFAOYSA_N =  5.3E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ZNYKQWDXHYNGTP_UHFFFAOYSA_N =  6.1E+00                                  ! [atm] type: Q, ref: 3409

! species:  1-chloro-1-nitroethane
! formula:  C_2H_4ClNO_2
! trivial:  
! casrn:    598-92-5
! inchikey: LPIWIOBGUAPNQW-UHFFFAOYSA-N
Hvpx_____598_92_5 =  2.7E+01                                  ! [atm] type: ?, ref: 3766

! species:  MCM:CNO3CLOH
! formula:  C_2H_4NO_4Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: OUFVLIWCNZOATK-UHFFFAOYSA-N
Hvpx_OUFVLIWCNZOATK_UHFFFAOYSA_N =  1.9E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OUFVLIWCNZOATK_UHFFFAOYSA_N =  4.0E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_OUFVLIWCNZOATK_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CCLCONO3
! formula:  C_2H_2NO_4Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: XDEFPIDZLAIVCM-UHFFFAOYSA-N
Hvpx_XDEFPIDZLAIVCM_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_XDEFPIDZLAIVCM_UHFFFAOYSA_N =  3.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_XDEFPIDZLAIVCM_UHFFFAOYSA_N =  2.2E+02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CNO3OCL
! formula:  C_2H_2NO_4Cl
! trivial:  
! casrn:    UNKNOWN
! inchikey: ODQFUUDIEKKDDJ-UHFFFAOYSA-N
Hvpx_ODQFUUDIEKKDDJ_UHFFFAOYSA_N =  3.3E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ODQFUUDIEKKDDJ_UHFFFAOYSA_N =  4.9E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_ODQFUUDIEKKDDJ_UHFFFAOYSA_N =  1.2E+02                                  ! [atm] type: Q, ref: 3409

! species:  symclosene
! formula:  C_3Cl_3N_3O_3
! trivial:  trichloroisocyanuric acid
! casrn:    87-90-1
! inchikey: YRIZYWQGELRKNT-UHFFFAOYSA-N
Hvpx______87_90_1 =  3.4E-06                                  ! [atm] type: Q, ref: 3088

! species:  MCM:CL12PAN
! formula:  C_3H_3NO_5Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: MSMFQRZPTBDNBF-UHFFFAOYSA-N
Hvpx_MSMFQRZPTBDNBF_UHFFFAOYSA_N =  8.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_MSMFQRZPTBDNBF_UHFFFAOYSA_N =  1.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_MSMFQRZPTBDNBF_UHFFFAOYSA_N =  2.2E+02                                  ! [atm] type: Q, ref: 3409

! species:  1-chloro-1-nitropropane
! formula:  C_3H_6ClNO_2
! trivial:  
! casrn:    600-25-9
! inchikey: XEKUXTMJEFPWCG-UHFFFAOYSA-N
Hvpx_____600_25_9 =  1.2E+01                                  ! [atm] type: ?, ref: 3766

! species:  1,3-dichloro-5,5-dimethylhydantoin
! formula:  C_5H_6Cl_2N_2O_2
! trivial:  
! casrn:    118-52-5
! inchikey: KEQGZUUPPQEDPF-UHFFFAOYSA-N
Hvpx_____118_52_5 =  5.5E-02                                  ! [atm] type: Q, ref: 3088

! species:  carmustine
! formula:  C_5H_9Cl_2N_3O_2
! trivial:  
! casrn:    154-93-8
! inchikey: DLGOEMSEDOSKAD-UHFFFAOYSA-N
Hvpx_____154_93_8 =  2.7E-06                                  ! [atm] type: Q, ref: 3088

! species:  2-chloro-N,N-di-2-propenylacetamide
! formula:  C_8H_{12}ClNO
! trivial:  
! casrn:    93-71-0
! inchikey: MDBGGTQNNUOQRC-UHFFFAOYSA-N
Hvpx______93_71_0 =  5.9E-03                                  ! [atm] type: V, ref: 3586
Hvpx______93_71_0 =  5.9E-03                                  ! [atm] type: V, ref: 3088
Hvpx______93_71_0 =  5.8E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______93_71_0 =  5.6E-03                                  ! [atm] type: Q, ref: 2521
Hvpx______93_71_0 =  2.9E-02                                  ! [atm] type: Q, ref: 2530

! species:  2,2-dichloro-N,N-di-2-propenylacetamide
! formula:  C_8H_{11}Cl_2NO
! trivial:  dichlormid
! casrn:    37764-25-3
! inchikey: YRMLFORXOOIJDR-UHFFFAOYSA-N
Hvpx___37764_25_3 =  1.7E-02                                  ! [atm] type: Q, ref: 2521
Hvpx___37764_25_3 =  2.0E-02                                  ! [atm] type: Q, ref: 2530

! species:  lomustine
! formula:  C_9H_{16}ClN_3O_2
! trivial:  
! casrn:    13010-47-4
! inchikey: GQYIWUVLTXOXAJ-UHFFFAOYSA-N
Hvpx___13010_47_4 =  1.0E-05                                  ! [atm] type: Q, ref: 3088

! species:  semustine
! formula:  C_{10}H_{18}ClN_3O_2
! trivial:  
! casrn:    13909-09-6
! inchikey: FVLVBPDQNARYJU-UHFFFAOYSA-N
Hvpx___13909_09_6 =  1.4E-05                                  ! [atm] type: Q, ref: 3088

! species:  furilazole
! formula:  C_{11}H_{13}Cl_2NO_3
! trivial:  
! casrn:    121776-33-8
! inchikey: MCNOFYBITGAAGM-UHFFFAOYSA-N
Hvpx__121776_33_8 =  5.1E-06                                  ! [atm] type: V, ref: 3586
Hvpx__121776_33_8 =  4.1E-04                                  ! [atm] type: Q, ref: 3586

! species:  dimethazone
! formula:  C_{12}H_{14}ClNO_2
! trivial:  clomazone
! casrn:    81777-89-1
! inchikey: KIEDNEWSYUYDSN-UHFFFAOYSA-N
Hvpx___81777_89_1 =  2.3E-03                                  ! [atm] type: V, ref: 3586
Hvpx___81777_89_1 =  2.3E-03                                  ! [atm] type: X, ref: macbean2012
Hvpx___81777_89_1 =  1.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___81777_89_1 =  2.3E-03                                  ! [atm] type: ?, ref: 3549

! species:  2-chloronitrobenzene
! formula:  C_6H_4ClNO_2
! trivial:  $o$-chloronitrobenzene
! casrn:    88-73-3
! inchikey: BFCFYVKQTRLZHA-UHFFFAOYSA-N
Hvpx______88_73_3 =  5.1E-01                                  ! [atm] type: M, ref: 1195
Hvpx______88_73_3 =  2.4E+00                                  ! [atm] type: M, ref: 2448
Hvpx______88_73_3 =  2.0E+00                                  ! [atm] type: V, ref: 477
Hvpx______88_73_3 =  4.8E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______88_73_3 =  1.8E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______88_73_3 =  8.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______88_73_3 =  3.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______88_73_3 =  4.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______88_73_3 =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______88_73_3 =  1.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______88_73_3 =  3.1E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______88_73_3 =  2.4E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______88_73_3 =  6.7E-01                                  ! [atm] type: Q, ref: 3731
Hvpx______88_73_3 =  7.3E-01                                  ! [atm] type: Q, ref: 3764
Hvpx______88_73_3 =  5.1E-01                                  ! [atm] type: ?, ref: 3586
Hvpx______88_73_3 =  5.7E-01                                  ! [atm] type: ?, ref: 2440

! species:  3-chloronitrobenzene
! formula:  C_6H_4ClNO_2
! trivial:  $m$-chloronitrobenzene
! casrn:    121-73-3
! inchikey: KMAQZIILEGKYQZ-UHFFFAOYSA-N
Hvpx_____121_73_3 =  4.0E-01                                  ! [atm] type: M, ref: 3404
Hvpx_____121_73_3 =  7.4E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____121_73_3 =  5.1E+00                                  ! [atm] type: V, ref: 2165
Hvpx_____121_73_3 =  4.8E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____121_73_3 =  3.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____121_73_3 =  8.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_73_3 =  2.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_73_3 =  2.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_73_3 =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_73_3 =  2.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____121_73_3 =  3.2E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____121_73_3 =  7.5E-01                                  ! [atm] type: ?, ref: 3586
Hvpx_____121_73_3 =  1.6E+00                                  ! [atm] type: ?, ref: 2440

! species:  4-chloronitrobenzene
! formula:  C_6H_4ClNO_2
! trivial:  $p$-chloronitrobenzene
! casrn:    100-00-5
! inchikey: CZGCEKJOLUNIFY-UHFFFAOYSA-N
Hvpx_____100_00_5 =  8.5E-01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____100_00_5 =  3.8E-01                                  ! [atm] type: M, ref: 3404
Hvpx_____100_00_5 =  2.7E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____100_00_5 =  3.0E+00                                  ! [atm] type: M, ref: 2448
Hvpx_____100_00_5 =  2.0E+00                                  ! [atm] type: V, ref: 477
Hvpx_____100_00_5 =  4.8E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____100_00_5 =  3.3E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____100_00_5 =  8.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____100_00_5 =  1.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____100_00_5 =  8.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____100_00_5 =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____100_00_5 =  2.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_00_5 =  2.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_00_5 =  3.9E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____100_00_5 =  2.9E+00                                  ! [atm] type: Q, ref: 2535
Hvpx_____100_00_5 =  3.5E-01                                  ! [atm] type: Q, ref: 3764
Hvpx_____100_00_5 =  2.7E-01                                  ! [atm] type: ?, ref: 3586

! species:  1,2-dichloro-4-nitrobenzene
! formula:  C_6H_3Cl_2NO_2
! trivial:  
! casrn:    99-54-7
! inchikey: NTBYINQTYWZXLH-UHFFFAOYSA-N
Hvpx______99_54_7 =  4.5E-01                                  ! [atm] type: M, ref: 1195
Hvpx______99_54_7 =  4.8E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______99_54_7 =  3.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______99_54_7 =  2.6E+00                                  ! [atm] type: Q, ref: 3627
Hvpx______99_54_7 =  6.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______99_54_7 =  1.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______99_54_7 =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______99_54_7 =  8.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______99_54_7 =  2.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______99_54_7 =  2.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______99_54_7 =  4.5E-01                                  ! [atm] type: ?, ref: 3586

! species:  1,4-dichloro-2-nitrobenzene
! formula:  C_6H_3Cl_2NO_2
! trivial:  
! casrn:    89-61-2
! inchikey: RZKKOBGFCAHLCZ-UHFFFAOYSA-N
Hvpx______89_61_2 =  6.6E-01                                  ! [atm] type: M, ref: 1195
Hvpx______89_61_2 =  4.8E-01                                  ! [atm] type: Q, ref: 3730
Hvpx______89_61_2 =  3.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______89_61_2 =  1.7E+00                                  ! [atm] type: Q, ref: 3627
Hvpx______89_61_2 =  6.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______89_61_2 =  3.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______89_61_2 =  7.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______89_61_2 =  8.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______89_61_2 =  1.8E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______89_61_2 =  2.5E+00                                  ! [atm] type: Q, ref: 2530
Hvpx______89_61_2 =  6.6E-01                                  ! [atm] type: ?, ref: 3586

! species:  2,3-dichloronitrobenzene
! formula:  C_6H_3Cl_2NO_2
! trivial:  
! casrn:    3209-22-1
! inchikey: CMVQZRLQEOAYSW-UHFFFAOYSA-N
Hvpx____3209_22_1 =  1.1E+00                                  ! [atm] type: Q, ref: 3627
Hvpx____3209_22_1 =  6.6E-01                                  ! [atm] type: Q, ref: 3088
Hvpx____3209_22_1 =  6.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____3209_22_1 =  4.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____3209_22_1 =  5.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____3209_22_1 =  8.2E-01                                  ! [atm] type: Q, ref: 2995

! species:  2,4-dichloronitrobenzene
! formula:  C_6H_3Cl_2NO_2
! trivial:  
! casrn:    611-06-3
! inchikey: QUIMTLZDMCNYGY-UHFFFAOYSA-N
Hvpx_____611_06_3 =  1.8E+00                                  ! [atm] type: Q, ref: 3088
Hvpx_____611_06_3 =  6.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____611_06_3 =  3.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____611_06_3 =  6.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____611_06_3 =  1.9E+00                                  ! [atm] type: Q, ref: 2995

! species:  3,5-dichloronitrobenzene
! formula:  C_6H_3Cl_2NO_2
! trivial:  
! casrn:    618-62-2
! inchikey: RNABGKOKSBUFHW-UHFFFAOYSA-N
Hvpx_____618_62_2 =  6.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____618_62_2 =  2.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____618_62_2 =  4.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____618_62_2 =  1.9E+00                                  ! [atm] type: Q, ref: 2995

! species:  pentachloronitrobenzene
! formula:  C_6Cl_5NO_2
! trivial:  quintozene
! casrn:    82-68-8
! inchikey: LKPLKUMXSAEKID-UHFFFAOYSA-N
Hvpx______82_68_8 =  2.0E-01                                  ! [atm] type: M, ref: 2229
Hvpx______82_68_8 =  2.4E+00                                  ! [atm] type: V, ref: 3586
Hvpx______82_68_8 =  2.4E+00                                  ! [atm] type: V, ref: 3088
Hvpx______82_68_8 =  2.4E+00                                  ! [atm] type: V, ref: 2614
Hvpx______82_68_8 =  2.6E+00                                  ! [atm] type: X, ref: howard97
Hvpx______82_68_8 =  5.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______82_68_8 =  2.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______82_68_8 =  2.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______82_68_8 =  2.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______82_68_8 =  2.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______82_68_8 =  8.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______82_68_8 =  2.6E-01                                  ! [atm] type: Q, ref: 1145

! species:  4-chloro-2-nitrophenol
! formula:  C_6H_4ClNO_3
! trivial:  
! casrn:    89-64-5
! inchikey: NWSIFTLPLKCTSX-UHFFFAOYSA-N
Hvpx______89_64_5 =  7.0E-01                                  ! [atm] type: V, ref: 3586
Hvpx______89_64_5 =  7.0E-01                                  ! [atm] type: V, ref: 941
Hvpx______89_64_5 =  3.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______89_64_5 =  6.9E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______89_64_5 =  1.5E-02                                  ! [atm] type: Q, ref: 3764

! species:  2-chloro-4-nitrobenzenamine
! formula:  C_6H_5ClN_2O_2
! trivial:  
! casrn:    121-87-9
! inchikey: LOCWBQIWHWIRGN-UHFFFAOYSA-N
Hvpx_____121_87_9 =  5.3E-04                                  ! [atm] type: M, ref: 1195
Hvpx_____121_87_9 =  1.3E-04                                  ! [atm] type: Q, ref: 3730
Hvpx_____121_87_9 =  4.1E-04                                  ! [atm] type: Q, ref: 3586
Hvpx_____121_87_9 =  3.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_87_9 =  4.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_87_9 =  8.2E-06                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_87_9 =  2.6E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_87_9 =  1.2E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____121_87_9 =  8.5E-04                                  ! [atm] type: Q, ref: 2530
Hvpx_____121_87_9 =  5.3E-04                                  ! [atm] type: ?, ref: 3586

! species:  2-chloro-5-nitrobenzenamine
! formula:  C_6H_5ClN_2O_2
! trivial:  
! casrn:    6283-25-6
! inchikey: KWIXNFOTNVKIGM-UHFFFAOYSA-N
Hvpx____6283_25_6 =  3.1E-04                                  ! [atm] type: Q, ref: 3088

! species:  4-chloro-2,6-dinitrobenzenamine
! formula:  C_6H_4ClN_3O_4
! trivial:  
! casrn:    5388-62-5
! inchikey: CLMQUEQFVUMDPC-UHFFFAOYSA-N
Hvpx____5388_62_5 =  7.2E-03                                  ! [atm] type: Q, ref: 3088

! species:  1-chloro-2,4-dinitrobenzene
! formula:  C_6H_3ClN_2O_4
! trivial:  
! casrn:    97-00-7
! inchikey: VYZAHLCBVHPDDF-UHFFFAOYSA-N
Hvpx______97_00_7 =  1.6E-01                                  ! [atm] type: V, ref: 3586
Hvpx______97_00_7 =  1.4E-01                                  ! [atm] type: V, ref: 3088
Hvpx______97_00_7 =  5.0E-02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______97_00_7 =  3.1E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______97_00_7 =  3.5E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______97_00_7 =  9.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______97_00_7 =  1.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______97_00_7 =  1.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______97_00_7 =  5.3E-02                                  ! [atm] type: Q, ref: 3579

! species:  1-chloro-2,6-dinitrobenzene
! formula:  C_6H_3ClN_2O_4
! trivial:  
! casrn:    606-21-3
! inchikey: BPPMIQPXQVIZNJ-UHFFFAOYSA-N
Hvpx_____606_21_3 =  3.5E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____606_21_3 =  1.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____606_21_3 =  7.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____606_21_3 =  1.4E-02                                  ! [atm] type: Q, ref: 2995

! species:  2-chloro-1,3,5-trinitrobenzene
! formula:  C_6H_2ClN_3O_6
! trivial:  
! casrn:    88-88-0
! inchikey: HJRJRUMKQCMYDL-UHFFFAOYSA-N
Hvpx______88_88_0 =  1.4E-05                                  ! [atm] type: Q, ref: 3088

! species:  2,3,4-trichloronitrobenzene
! formula:  C_6H_2Cl_3NO_2
! trivial:  
! casrn:    17700-09-3
! inchikey: BGKIECJVXXHLDP-UHFFFAOYSA-N
Hvpx___17700_09_3 =  4.8E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___17700_09_3 =  4.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___17700_09_3 =  2.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___17700_09_3 =  1.4E+00                                  ! [atm] type: Q, ref: 2995

! species:  2,3,4,5-tetrachloronitrobenzene
! formula:  C_6HCl_4NO_2
! trivial:  
! casrn:    879-39-0
! inchikey: MTBYTWZDRVOMBR-UHFFFAOYSA-N
Hvpx_____879_39_0 =  1.3E+00                                  ! [atm] type: Q, ref: 3088

! species:  1,2,4,5-tetrachloronitrobenzene
! formula:  C_6HCl_4NO_2
! trivial:  tecnazene
! casrn:    117-18-0
! inchikey: XQTLDIFVVHJORV-UHFFFAOYSA-N
Hvpx_____117_18_0 =  1.3E+00                                  ! [atm] type: Q, ref: 3088

! species:  4-chloro-2-nitrobenzenamine
! formula:  C_6H_5ClN_2O_2
! trivial:  
! casrn:    89-63-4
! inchikey: PBGKNXWGYQPUJK-UHFFFAOYSA-N
Hvpx______89_63_4 =  6.6E-03                                  ! [atm] type: Q, ref: 3088
Hvpx______89_63_4 =  6.8E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______89_63_4 =  3.2E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______89_63_4 =  2.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______89_63_4 =  1.9E-03                                  ! [atm] type: Q, ref: 2995

! species:  4-chloro-3-nitrobenzenamine
! formula:  C_6H_5ClN_2O_2
! trivial:  
! casrn:    635-22-3
! inchikey: FOHHWGVAOVDVLP-UHFFFAOYSA-N
Hvpx_____635_22_3 =  3.1E-04                                  ! [atm] type: Q, ref: 3088
Hvpx_____635_22_3 =  3.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____635_22_3 =  5.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____635_22_3 =  2.3E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____635_22_3 =  1.6E-04                                  ! [atm] type: Q, ref: 2995

! species:  botran
! formula:  C_6H_4Cl_2N_2O_2
! trivial:  
! casrn:    99-30-9
! inchikey: BIXZHMJUSMUDOQ-UHFFFAOYSA-N
Hvpx______99_30_9 =  4.6E-03                                  ! [atm] type: V, ref: 3088
Hvpx______99_30_9 =  2.3E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______99_30_9 =  8.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______99_30_9 =  3.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______99_30_9 =  3.8E-04                                  ! [atm] type: Q, ref: 2995

! species:  3,5-dichlorophenyl isocyanate
! formula:  C_7H_3Cl_2NO
! trivial:  
! casrn:    34893-92-0
! inchikey: XEFUJGURFLOFAN-UHFFFAOYSA-N
Hvpx___34893_92_0 =  7.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___34893_92_0 =  2.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___34893_92_0 =  6.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___34893_92_0 =  7.6E-01                                  ! [atm] type: Q, ref: 2995

! species:  2-chloro-5-nitrobenzoic acid
! formula:  C_7H_4ClNO_4
! trivial:  
! casrn:    2516-96-3
! inchikey: QUEKGYQTRJVEQC-UHFFFAOYSA-N
Hvpx____2516_96_3 =  8.3E-05                                  ! [atm] type: Q, ref: 3627

! species:  4-chloro-3-nitrobenzoic acid
! formula:  C_7H_4ClNO_4
! trivial:  
! casrn:    96-99-1
! inchikey: DFXQXFGFOLXAPO-UHFFFAOYSA-N
Hvpx______96_99_1 =  1.5E-04                                  ! [atm] type: Q, ref: 3627
Hvpx______96_99_1 =  1.7E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______96_99_1 =  2.6E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______96_99_1 =  3.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______96_99_1 =  5.9E-06                                  ! [atm] type: Q, ref: 2995

! species:  1-chloro-4-isocyanatobenzene
! formula:  C_7H_4ClNO
! trivial:  
! casrn:    104-12-1
! inchikey: ADAKRBAJFHTIEW-UHFFFAOYSA-N
Hvpx_____104_12_1 =  9.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_12_1 =  1.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_12_1 =  5.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____104_12_1 =  1.6E-01                                  ! [atm] type: Q, ref: 2995

! species:  1,2-dichloro-4-isocyanatobenzene
! formula:  C_7H_3Cl_2NO
! trivial:  
! casrn:    102-36-3
! inchikey: MFUVCHZWGSJKEQ-UHFFFAOYSA-N
Hvpx_____102_36_3 =  7.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____102_36_3 =  1.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____102_36_3 =  3.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____102_36_3 =  2.5E-01                                  ! [atm] type: Q, ref: 2995

! species:  2-chloro-1-methyl-4-nitrobenzene
! formula:  C_7H_6ClNO_2
! trivial:  
! casrn:    121-86-8
! inchikey: LLYXJBROWQDVMI-UHFFFAOYSA-N
Hvpx_____121_86_8 =  2.2E+00                                  ! [atm] type: Q, ref: 3088
Hvpx_____121_86_8 =  9.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_86_8 =  1.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_86_8 =  1.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_86_8 =  2.1E+00                                  ! [atm] type: Q, ref: 2995

! species:  2,4-dichloro-3-methyl-6-nitrophenol
! formula:  C_7H_5Cl_2NO_3
! trivial:  
! casrn:    39549-27-4
! inchikey: VMBRJHMTAZXHES-UHFFFAOYSA-N
Hvpx___39549_27_4 =  2.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___39549_27_4 =  1.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___39549_27_4 =  5.8E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___39549_27_4 =  1.7E+00                                  ! [atm] type: Q, ref: 2995

! species:  4-chloro-5-methyl-2-nitrophenol
! formula:  C_7H_6ClNO_3
! trivial:  4-chloro-6-nitro-$m$-cresol
! casrn:    7147-89-9
! inchikey: JBMGJOKJUYGIJH-UHFFFAOYSA-N
Hvpx____7147_89_9 =  1.5E+00                                  ! [atm] type: V, ref: 941

! species:  3-amino-2,5-dichlorobenzoic acid
! formula:  C_7H_5Cl_2NO_2
! trivial:  
! casrn:    133-90-4
! inchikey: HSSBORCLYSCBJR-UHFFFAOYSA-N
Hvpx_____133_90_4 =  2.1E-06                                  ! [atm] type: V, ref: 3586
Hvpx_____133_90_4 =  1.5E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____133_90_4 =  1.2E-06                                  ! [atm] type: Q, ref: 3586

! species:  2,3,5,6-tetrachloro-4-nitroanisole
! formula:  C_7H_3Cl_4NO_3
! trivial:  TCNA
! casrn:    2438-88-2
! inchikey: BGPPUXMKKQMWLV-UHFFFAOYSA-N
Hvpx____2438_88_2 =  1.1E+00                                  ! [atm] type: Q, ref: 3088

! species:  2,6-dichlorobenzamide
! formula:  C_7H_5Cl_2NO
! trivial:  
! casrn:    2008-58-4
! inchikey: JHSPCUHPSIUQRB-UHFFFAOYSA-N
Hvpx____2008_58_4 =  6.6E-05                                  ! [atm] type: Q, ref: 3088

! species:  swep
! formula:  C_8H_7Cl_2NO
! trivial:  
! casrn:    1918-18-9
! inchikey: WOZQBERUBLYCEG-UHFFFAOYSA-N
Hvpx____1918_18_9 =  6.6E-04                                  ! [atm] type: Q, ref: 3088

! species:  N-(4-chlorophenyl)acetamide
! formula:  C_8H_8ClNO
! trivial:  $p$-chloroacetanilide
! casrn:    539-03-7
! inchikey: GGUOCFNAWIODMF-UHFFFAOYSA-N
Hvpx_____539_03_7 =  2.5E-01                                  ! [atm] type: Q, ref: 3088

! species:  methyl 5-chloro-2-nitrobenzoate
! formula:  C_8H_6ClNO_4
! trivial:  
! casrn:    51282-49-6
! inchikey: JGBJHRKCUKTQOE-UHFFFAOYSA-N
Hvpx___51282_49_6 =  5.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___51282_49_6 =  4.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___51282_49_6 =  1.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___51282_49_6 =  8.2E-03                                  ! [atm] type: Q, ref: 2995

! species:  4-chloro-2,5-dimethoxynitrobenzene
! formula:  C_8H_8ClNO_4
! trivial:  
! casrn:    6940-53-0
! inchikey: ORLPGMKKCAEWOW-UHFFFAOYSA-N
Hvpx____6940_53_0 =  3.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____6940_53_0 =  3.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____6940_53_0 =  2.8E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____6940_53_0 =  1.4E-02                                  ! [atm] type: Q, ref: 2995

! species:  chloraniformethan
! formula:  C_9H_7Cl_5N_2O
! trivial:  
! casrn:    20856-57-9
! inchikey: REEFSLKDEDEWAO-UHFFFAOYSA-N
Hvpx___20856_57_9 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  monuron
! formula:  C_9H_{11}ClN_2O
! trivial:  
! casrn:    150-68-5
! inchikey: BMLIZLVNXIYGCK-UHFFFAOYSA-N
Hvpx_____150_68_5 =  3.2E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____150_68_5 =  3.6E-05                                  ! [atm] type: V, ref: 2614
Hvpx_____150_68_5 =  1.6E-03                                  ! [atm] type: V, ref: 1157
Hvpx_____150_68_5 =  3.2E-05                                  ! [atm] type: V, ref: 2968
Hvpx_____150_68_5 =  3.2E-05                                  ! [atm] type: Q, ref: 3627
Hvpx_____150_68_5 =  3.2E-05                                  ! [atm] type: ?, ref: 3087

! species:  monolinuron
! formula:  C_9H_{11}ClN_2O_2
! trivial:  
! casrn:    1746-81-2
! inchikey: LKJPSUCKSLORMF-UHFFFAOYSA-N
Hvpx____1746_81_2 =  2.5E-03                                  ! [atm] type: V, ref: 3088
Hvpx____1746_81_2 =  3.2E-03                                  ! [atm] type: V, ref: 2614

! species:  diuron
! formula:  C_9H_{10}Cl_2N_2O
! trivial:  
! casrn:    330-54-1
! inchikey: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
Hvpx_____330_54_1 =  1.6E-02                                  ! [atm] type: M, ref: 3404
Hvpx_____330_54_1 =  2.8E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____330_54_1 =  6.6E-04                                  ! [atm] type: V, ref: 1157
Hvpx_____330_54_1 =  6.6E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx_____330_54_1 =  1.4E-05                                  ! [atm] type: Q, ref: 3627
Hvpx_____330_54_1 =  1.0E-02                                  ! [atm] type: Q, ref: 3729

! species:  linuron
! formula:  C_9H_{10}Cl_2N_2O_2
! trivial:  
! casrn:    330-55-2
! inchikey: XKJMBINCVNINCA-UHFFFAOYSA-N
Hvpx_____330_55_2 =  3.5E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____330_55_2 =  2.9E-03                                  ! [atm] type: V, ref: 1157
Hvpx_____330_55_2 =  1.1E-04                                  ! [atm] type: X, ref: macbean2012
Hvpx_____330_55_2 =  3.0E-01                                  ! [atm] type: X, ref: barcelo97
Hvpx_____330_55_2 =  8.4E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____330_55_2 =  2.4E-02                                  ! [atm] type: Q, ref: 3729

! species:  propanil
! formula:  C_9H_9Cl_2NO
! trivial:  
! casrn:    709-98-8
! inchikey: LFULEKSKNZEWOE-UHFFFAOYSA-N
Hvpx_____709_98_8 =  4.3E-02                                  ! [atm] type: M, ref: 3404
Hvpx_____709_98_8 =  9.5E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____709_98_8 =  9.4E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____709_98_8 =  3.0E-03                                  ! [atm] type: V, ref: 2614
Hvpx_____709_98_8 =  2.0E-03                                  ! [atm] type: V, ref: 1157
Hvpx_____709_98_8 =  2.0E-01                                  ! [atm] type: X, ref: barcelo97
Hvpx_____709_98_8 =  1.9E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____709_98_8 =  2.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____709_98_8 =  6.8E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____709_98_8 =  1.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____709_98_8 =  6.5E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____709_98_8 =  4.4E+00                                  ! [atm] type: Q, ref: 3729

! species:  methazole
! formula:  C_9H_6Cl_2N_2O_3
! trivial:  
! casrn:    20354-26-1
! inchikey: LRUUNMYPIBZBQH-UHFFFAOYSA-N
Hvpx___20354_26_1 =  1.3E-02                                  ! [atm] type: V, ref: 3088
Hvpx___20354_26_1 =  1.1E-05                                  ! [atm] type: Q, ref: 2521
Hvpx___20354_26_1 =  1.3E-02                                  ! [atm] type: ?, ref: 3087

! species:  1,4-naphthalenedione, 2-amino-3-chloro-
! formula:  C_{10}H_6ClNO_2
! trivial:  quinoclamine
! casrn:    2797-51-5
! inchikey: OBLNWSCLAYSJJR-UHFFFAOYSA-N
Hvpx____2797_51_5 =  1.7E-05                                  ! [atm] type: ?, ref: 3549

! species:  chlortoluron
! formula:  C_{10}H_{13}ClN_2O
! trivial:  chlorotoluron
! casrn:    15545-48-9
! inchikey: JXCGFZXSOMJFOA-UHFFFAOYSA-N
Hvpx___15545_48_9 =  7.7E-06                                  ! [atm] type: V, ref: 3088
Hvpx___15545_48_9 =  2.8E-05                                  ! [atm] type: V, ref: 2614
Hvpx___15545_48_9 =  2.9E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx___15545_48_9 =  1.6E-02                                  ! [atm] type: Q, ref: 3729

! species:  metoxuron
! formula:  C_{10}H_{13}ClN_2O_2
! trivial:  
! casrn:    19937-59-8
! inchikey: DSRNRYQBBJQVCW-UHFFFAOYSA-N
Hvpx___19937_59_8 =  7.9E-04                                  ! [atm] type: V, ref: 3586
Hvpx___19937_59_8 =  7.9E-04                                  ! [atm] type: V, ref: 2614
Hvpx___19937_59_8 =  8.3E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx___19937_59_8 =  2.8E-03                                  ! [atm] type: Q, ref: 3586
Hvpx___19937_59_8 =  4.4E-02                                  ! [atm] type: Q, ref: 3729

! species:  chlorpropham
! formula:  C_{10}H_{12}ClNO_2
! trivial:  
! casrn:    101-21-3
! inchikey: CWJSHJJYOPWUGX-UHFFFAOYSA-N
Hvpx_____101_21_3 =  2.3E-02                                  ! [atm] type: M, ref: 2538
Hvpx_____101_21_3 =  3.1E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____101_21_3 =  3.2E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____101_21_3 =  1.1E-03                                  ! [atm] type: V, ref: 1157
Hvpx_____101_21_3 =  1.2E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx_____101_21_3 =  1.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____101_21_3 =  1.9E-01                                  ! [atm] type: Q, ref: 3729

! species:  pyrazon
! formula:  C_{10}H_8ClN_3O
! trivial:  
! casrn:    1698-60-8
! inchikey: WYKYKTKDBLFHCY-UHFFFAOYSA-N
Hvpx____1698_60_8 =  1.8E-05                                  ! [atm] type: V, ref: 3586
Hvpx____1698_60_8 =  1.8E-05                                  ! [atm] type: V, ref: 3088
Hvpx____1698_60_8 =  2.4E+00                                  ! [atm] type: V, ref: 2614
Hvpx____1698_60_8 =  2.4E+00                                  ! [atm] type: V, ref: 1157
Hvpx____1698_60_8 =  6.6E-06                                  ! [atm] type: Q, ref: 3586
Hvpx____1698_60_8 =  2.9E-10                                  ! [atm] type: ?, ref: 3549

! species:  2,4-D dimethylamine
! formula:  C_{10}H_{13}Cl_2NO_3
! trivial:  (2,4-dichlorophenoxy)acetic acid dimethylamine
! casrn:    2008-39-1
! inchikey: IUQJDHJVPLLKFL-UHFFFAOYSA-N
Hvpx____2008_39_1 =  2.6E-11                                  ! [atm] type: V, ref: 3586
Hvpx____2008_39_1 =  1.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx____2008_39_1 =  7.7E-12                                  ! [atm] type: Q, ref: 3088

! species:  3',4'-dichlorocyclopropanecarboxanilide
! formula:  C_{10}H_9Cl_2NO
! trivial:  cypromid
! casrn:    2759-71-9
! inchikey: PLQDLOBGKJCDSZ-UHFFFAOYSA-N
Hvpx____2759_71_9 =  1.4E-04                                  ! [atm] type: Q, ref: 3088

! species:  triazoxide
! formula:  C_{10}H_6N_5OCl
! trivial:  
! casrn:    72459-58-6
! inchikey: IQGKIPDJXCAMSM-UHFFFAOYSA-N
Hvpx___72459_58_6 =  1.2E-06                                  ! [atm] type: V, ref: 3586
Hvpx___72459_58_6 =  6.9E-07                                  ! [atm] type: Q, ref: 3586

! species:  chlorbufam
! formula:  C_{11}H_{10}ClNO_2
! trivial:  
! casrn:    1967-16-4
! inchikey: ULBXWWGWDPVHAO-UHFFFAOYSA-N
Hvpx____1967_16_4 =  4.8E-04                                  ! [atm] type: V, ref: 3088
Hvpx____1967_16_4 =  4.8E-04                                  ! [atm] type: ?, ref: 3087

! species:  zarilamid
! formula:  C_{11}H_{11}N_2O_2Cl
! trivial:  
! casrn:    84527-51-5
! inchikey: VLBZAQJMGULJIU-UHFFFAOYSA-N
Hvpx___84527_51_5 =  3.7E-06                                  ! [atm] type: ?, ref: 3087

! species:  chloramphenicol
! formula:  C_{11}H_{12}Cl_2N_2O_5
! trivial:  
! casrn:    56-75-7
! inchikey: WIIZWVCIJKGZOK-IUCAKERBSA-N
Hvpx______56_75_7 =  1.3E-13                                  ! [atm] type: Q, ref: 3088

! species:  cloethocarb
! formula:  C_{11}H_{14}ClNO_4
! trivial:  
! casrn:    51487-69-5
! inchikey: PITWUHDDNUVBPT-UHFFFAOYSA-N
Hvpx___51487_69_5 =  1.1E-06                                  ! [atm] type: ?, ref: 3087

! species:  formetanate hydrochloride
! formula:  C_{11}H_{16}ClN_3O_2
! trivial:  
! casrn:    23422-53-9
! inchikey: MYPKGPZHHQEODQ-UHFFFAOYSA-N
Hvpx___23422_53_9 =  1.3E-14                                  ! [atm] type: Q, ref: 3088
Hvpx___23422_53_9 =  2.7E-10                                  ! [atm] type: ?, ref: 3549

! species:  cyclanilide
! formula:  C_{11}H_9Cl_2NO_3
! trivial:  
! casrn:    113136-77-9
! inchikey: GLWWLNJJJCTFMZ-UHFFFAOYSA-N
Hvpx__113136_77_9 =  4.0E-05                                  ! [atm] type: X, ref: macbean2012
Hvpx__113136_77_9 =  4.4E-05                                  ! [atm] type: Q, ref: 3730
Hvpx__113136_77_9 =  4.7E-06                                  ! [atm] type: Q, ref: 3586
Hvpx__113136_77_9 =  4.0E-05                                  ! [atm] type: ?, ref: 3586

! species:  propachlor
! formula:  C_{11}H_{14}ClNO
! trivial:  
! casrn:    1918-16-7
! inchikey: MFOUDYKPLGXPGO-UHFFFAOYSA-N
Hvpx____1918_16_7 =  2.0E-02                                  ! [atm] type: V, ref: 3088
Hvpx____1918_16_7 =  6.0E-03                                  ! [atm] type: V, ref: 2614
Hvpx____1918_16_7 =  6.0E-03                                  ! [atm] type: V, ref: 1157
Hvpx____1918_16_7 =  6.1E-01                                  ! [atm] type: X, ref: barcelo97
Hvpx____1918_16_7 =  1.5E+00                                  ! [atm] type: Q, ref: 3729

! species:  barban
! formula:  C_{11}H_9Cl_2NO_2
! trivial:  
! casrn:    101-27-9
! inchikey: MCOQHIWZJUDQIC-UHFFFAOYSA-N
Hvpx_____101_27_9 =  6.5E-04                                  ! [atm] type: V, ref: 3586
Hvpx_____101_27_9 =  6.6E-04                                  ! [atm] type: V, ref: 3088
Hvpx_____101_27_9 =  6.4E-04                                  ! [atm] type: V, ref: 2614
Hvpx_____101_27_9 =  1.6E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____101_27_9 =  6.4E-04                                  ! [atm] type: ?, ref: 3087

! species:  aclonifen
! formula:  C_{12}H_9ClN_2O_3
! trivial:  
! casrn:    74070-46-5
! inchikey: DDBMQDADIHOWIC-UHFFFAOYSA-N
Hvpx___74070_46_5 =  9.2E-04                                  ! [atm] type: V, ref: 3586
Hvpx___74070_46_5 =  7.7E-05                                  ! [atm] type: Q, ref: 3586
Hvpx___74070_46_5 =  1.7E-03                                  ! [atm] type: ?, ref: 3549

! species:  propyzamide
! formula:  C_{12}H_{11}Cl_2NO
! trivial:  pronamide
! casrn:    23950-58-5
! inchikey: PHNUZKMIPFFYSO-UHFFFAOYSA-N
Hvpx___23950_58_5 =  5.4E-04                                  ! [atm] type: V, ref: 3586
Hvpx___23950_58_5 =  1.1E-01                                  ! [atm] type: V, ref: 3088
Hvpx___23950_58_5 =  1.1E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx___23950_58_5 =  3.7E-03                                  ! [atm] type: Q, ref: 3586
Hvpx___23950_58_5 =  8.3E+00                                  ! [atm] type: Q, ref: 3729
Hvpx___23950_58_5 =  4.1E-09                                  ! [atm] type: ?, ref: 3549

! species:  2,4,6-trichlorophenyl 4-nitrophenyl ether
! formula:  C_{12}H_6Cl_3NO_3
! trivial:  chlornitrofen
! casrn:    1836-77-7
! inchikey: XQNAUQUKWRBODG-UHFFFAOYSA-N
Hvpx____1836_77_7 =  6.8E-02                                  ! [atm] type: M, ref: 2229

! species:  nitrofen
! formula:  C_{12}H_7Cl_2NO_3
! trivial:  
! casrn:    1836-75-5
! inchikey: XITQUSLLOSKDTB-UHFFFAOYSA-N
Hvpx____1836_75_5 =  1.7E-01                                  ! [atm] type: V, ref: 3088
Hvpx____1836_75_5 =  1.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____1836_75_5 =  2.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____1836_75_5 =  4.4E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____1836_75_5 =  4.8E-03                                  ! [atm] type: Q, ref: 2995

! species:  buturon
! formula:  C_{12}H_{13}ClN_2O
! trivial:  
! casrn:    3766-60-7
! inchikey: BYYMILHAKOURNM-UHFFFAOYSA-N
Hvpx____3766_60_7 =  4.3E-05                                  ! [atm] type: ?, ref: 3087

! species:  triclocarban
! formula:  C_{13}H_9Cl_3N_2O
! trivial:  
! casrn:    101-20-2
! inchikey: ICUTUKXCWQYESQ-UHFFFAOYSA-N
Hvpx_____101_20_2 =  2.5E-06                                  ! [atm] type: Q, ref: 3088
Hvpx_____101_20_2 =  2.5E-06                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_20_2 =  1.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_20_2 =  7.6E-09                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_20_2 =  3.0E-08                                  ! [atm] type: Q, ref: 2995

! species:  dimethachlor
! formula:  C_{13}H_{18}ClNO_2
! trivial:  
! casrn:    50563-36-5
! inchikey: SCCDDNKJYDZXMM-UHFFFAOYSA-N
Hvpx___50563_36_5 =  9.3E-05                                  ! [atm] type: ?, ref: 3549

! species:  3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide
! formula:  C_{13}H_7Cl_4NO_2
! trivial:  
! casrn:    1154-59-2
! inchikey: SJQBHPJLLIJASD-UHFFFAOYSA-N
Hvpx____1154_59_2 =  2.7E-06                                  ! [atm] type: Q, ref: 3088
Hvpx____1154_59_2 =  2.6E-06                                  ! [atm] type: Q, ref: 2995
Hvpx____1154_59_2 =  2.4E-06                                  ! [atm] type: Q, ref: 2995
Hvpx____1154_59_2 =  1.4E-07                                  ! [atm] type: Q, ref: 2995
Hvpx____1154_59_2 =  3.4E-06                                  ! [atm] type: Q, ref: 2995

! species:  procymidone
! formula:  C_{13}H_{11}Cl_2NO_2
! trivial:  
! casrn:    32809-16-8
! inchikey: QXJKBPAVAHBARF-UHFFFAOYSA-N
Hvpx___32809_16_8 =  6.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx___32809_16_8 =  6.5E-01                                  ! [atm] type: V, ref: 2614
Hvpx___32809_16_8 =  6.1E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx___32809_16_8 =  5.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___32809_16_8 =  3.9E+01                                  ! [atm] type: Q, ref: 3729

! species:  melphalan
! formula:  C_{13}H_{18}Cl_2N_2O_2
! trivial:  
! casrn:    148-82-3
! inchikey: SGDBTWWWUNNDEQ-LBPRGKRZSA-N
Hvpx_____148_82_3 =  2.3E-08                                  ! [atm] type: Q, ref: 3088

! species:  niclosamide
! formula:  C_{13}H_8Cl_2N_2O_4
! trivial:  
! casrn:    50-65-7
! inchikey: RJMUSRYZPJIFPJ-UHFFFAOYSA-N
Hvpx______50_65_7 =  3.6E-05                                  ! [atm] type: V, ref: 3088

! species:  iprodione
! formula:  C_{13}H_{13}Cl_2N_3O_3
! trivial:  
! casrn:    36734-19-7
! inchikey: ONUFESLQCSAYKA-UHFFFAOYSA-N
Hvpx___36734_19_7 =  7.7E-04                                  ! [atm] type: X, ref: barcelo97
Hvpx___36734_19_7 =  1.4E-05                                  ! [atm] type: Q, ref: 3730
Hvpx___36734_19_7 =  5.8E-05                                  ! [atm] type: Q, ref: 3586
Hvpx___36734_19_7 =  2.7E-02                                  ! [atm] type: Q, ref: 3729
Hvpx___36734_19_7 =  1.7E-04                                  ! [atm] type: ?, ref: 3586

! species:  zoxamide
! formula:  C_{14}H_{16}Cl_3NO_2
! trivial:  
! casrn:    156052-68-5
! inchikey: SOUGWDPPRBKJEX-UHFFFAOYSA-N
Hvpx__156052_68_5 =  1.1E-04                                  ! [atm] type: Q, ref: 3088
Hvpx__156052_68_5 =  3.6E-03                                  ! [atm] type: ?, ref: 3549

! species:  fenhexamid
! formula:  C_{14}H_{17}Cl_2NO_2
! trivial:  
! casrn:    126833-17-8
! inchikey: VDLGAVXLJYLFDH-UHFFFAOYSA-N
Hvpx__126833_17_8 =  2.7E-06                                  ! [atm] type: X, ref: macbean2012
Hvpx__126833_17_8 =  2.7E-06                                  ! [atm] type: ?, ref: 3549
Hvpx__126833_17_8 =  1.6E-07                                  ! [atm] type: ?, ref: 3549
Hvpx__126833_17_8 =  4.9E-06                                  ! [atm] type: ?, ref: 3549

! species:  chlorambucil
! formula:  C_{14}H_{19}Cl_2NO_2
! trivial:  
! casrn:    305-03-3
! inchikey: JCKYGMPEJWAADB-UHFFFAOYSA-N
Hvpx_____305_03_3 =  1.5E-05                                  ! [atm] type: Q, ref: 3088

! species:  2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
! formula:  C_{14}H_{20}ClNO_2
! trivial:  acetochlor
! casrn:    34256-82-1
! inchikey: VTNQPKFIQCLBDU-UHFFFAOYSA-N
Hvpx___34256_82_1 =  1.5E-05                                  ! [atm] type: V, ref: 3088

! species:  alachlor
! formula:  C_{14}H_{20}ClNO_2
! trivial:  
! casrn:    15972-60-8
! inchikey: XCSGPAVHZFQHGE-UHFFFAOYSA-N
Hvpx___15972_60_8 =  8.2E-04                                  ! [atm] type: L, ref: 2965
Hvpx___15972_60_8 =  5.5E-04                                  ! [atm] type: L, ref: 2965
Hvpx___15972_60_8 =  7.3E-02                                  ! [atm] type: M, ref: 3404
Hvpx___15972_60_8 =  4.0E-03 * EXP(  -9200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2438
Hvpx___15972_60_8 =  6.1E-04                                  ! [atm] type: M, ref: 901
Hvpx___15972_60_8 =  4.6E-04                                  ! [atm] type: M, ref: 900
Hvpx___15972_60_8 =  1.2E-03                                  ! [atm] type: V, ref: 2614
Hvpx___15972_60_8 =  3.4E-03                                  ! [atm] type: V, ref: 1157
Hvpx___15972_60_8 =  1.8E-03                                  ! [atm] type: V, ref: 2452
Hvpx___15972_60_8 =  3.4E-01                                  ! [atm] type: X, ref: barcelo97
Hvpx___15972_60_8 =  1.5E+01                                  ! [atm] type: Q, ref: 3729
Hvpx___15972_60_8 =  1.8E-04                                  ! [atm] type: Q, ref: 2521
Hvpx___15972_60_8 =  1.2E-02                                  ! [atm] type: Q, ref: 2530
Hvpx___15972_60_8 =  6.6E-06                                  ! [atm] type: Q, ref: 1145
Hvpx___15972_60_8 =  1.8E-03                                  ! [atm] type: ?, ref: 3076

! species:  bifenox
! formula:  C_{14}H_9Cl_2NO_3
! trivial:  
! casrn:    42576-02-3
! inchikey: SUSRORUBZHMPCO-UHFFFAOYSA-N
Hvpx___42576_02_3 =  6.0E-03                                  ! [atm] type: V, ref: 3586
Hvpx___42576_02_3 =  1.5E-01                                  ! [atm] type: V, ref: 3088
Hvpx___42576_02_3 =  1.7E-01                                  ! [atm] type: V, ref: 2614
Hvpx___42576_02_3 =  1.7E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx___42576_02_3 =  8.8E-05                                  ! [atm] type: Q, ref: 3586
Hvpx___42576_02_3 =  1.6E+01                                  ! [atm] type: Q, ref: 3729
Hvpx___42576_02_3 =  8.8E-05                                  ! [atm] type: ?, ref: 3549

! species:  $S$-metolachlor
! formula:  C_{15}H_{22}ClNO_2
! trivial:  
! casrn:    87392-12-9
! inchikey: WVQBLGZPHOPPFO-LBPRGKRZSA-N
Hvpx___87392_12_9 =  1.2E-03                                  ! [atm] type: ?, ref: 3549

! species:  metolachlor
! formula:  C_{15}H_{22}ClNO_2
! trivial:  
! casrn:    51218-45-2
! inchikey: WVQBLGZPHOPPFO-UHFFFAOYSA-N
Hvpx___51218_45_2 =  7.3E-04                                  ! [atm] type: L, ref: 2965
Hvpx___51218_45_2 =  7.6E-04                                  ! [atm] type: L, ref: 2965
Hvpx___51218_45_2 =  8.9E-04 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx___51218_45_2 =  2.6E-03 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2818
Hvpx___51218_45_2 =  4.3E-03                                  ! [atm] type: M, ref: 893
Hvpx___51218_45_2 =  9.6E-04 * EXP( -15000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3947
Hvpx___51218_45_2 =  1.3E-03                                  ! [atm] type: V, ref: 2614
Hvpx___51218_45_2 =  1.3E-03                                  ! [atm] type: V, ref: 2836
Hvpx___51218_45_2 =  5.0E-04                                  ! [atm] type: V, ref: 2452
Hvpx___51218_45_2 =  5.1E-04                                  ! [atm] type: V, ref: 2968
Hvpx___51218_45_2 =  5.0E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx___51218_45_2 =  4.6E-04                                  ! [atm] type: C, ref: 893
Hvpx___51218_45_2 =  6.9E+00                                  ! [atm] type: Q, ref: 3729
Hvpx___51218_45_2 =  8.7E-05                                  ! [atm] type: Q, ref: 2521
Hvpx___51218_45_2 =  3.2E-03                                  ! [atm] type: Q, ref: 2530
Hvpx___51218_45_2 =  4.9E-04                                  ! [atm] type: ?, ref: 3076

! species:  clonitralid
! formula:  C_{15}H_{15}Cl_2N_3O_5
! trivial:  
! casrn:    1420-04-8
! inchikey: XYCDHXSQODHSLG-UHFFFAOYSA-N
Hvpx____1420_04_8 =  2.1E-05                                  ! [atm] type: V, ref: 3088

! species:  chloroxuron
! formula:  C_{15}H_{15}ClN_2O_2
! trivial:  
! casrn:    1982-47-4
! inchikey: IVUXTESCPZUGJC-UHFFFAOYSA-N
Hvpx____1982_47_4 =  2.2E-05                                  ! [atm] type: V, ref: 3088
Hvpx____1982_47_4 =  1.0E-05                                  ! [atm] type: ?, ref: 3087

! species:  CGA 80000
! formula:  C_{15}H_{18}ClNO_4
! trivial:  
! casrn:    67932-85-8
! inchikey: FHZMAAGOSXDIBJ-UHFFFAOYSA-N
Hvpx___67932_85_8 =  1.3E-07                                  ! [atm] type: ?, ref: 3087

! species:  oxadiargyl
! formula:  C_{15}H_{14}N_2O_3Cl_2
! trivial:  
! casrn:    39807-15-3
! inchikey: DVOODWOZJVJKQR-UHFFFAOYSA-N
Hvpx___39807_15_3 =  1.3E-03                                  ! [atm] type: V, ref: 3586
Hvpx___39807_15_3 =  6.6E-03                                  ! [atm] type: Q, ref: 3586

! species:  diniconazole
! formula:  C_{15}H_{17}Cl_2N_3O
! trivial:  
! casrn:    83657-24-3
! inchikey: FBOUIAKEJMZPQG-UHFFFAOYSA-N
Hvpx___83657_24_3 =  2.2E-02                                  ! [atm] type: V, ref: 3586
Hvpx___83657_24_3 =  2.0E-03                                  ! [atm] type: Q, ref: 3586

! species:  pethoxamid
! formula:  C_{16}H_{22}ClNO_2
! trivial:  
! casrn:    106700-29-2
! inchikey: CSWIKHNSBZVWNQ-UHFFFAOYSA-N
Hvpx__106700_29_2 =  6.4E-04                                  ! [atm] type: ?, ref: 3549

! species:  pigment red 4
! formula:  C_{16}H_{10}ClN_3O_3
! trivial:  
! casrn:    2814-77-9
! inchikey: XLTMWFMRJZDFFD-VHEBQXMUSA-N
Hvpx____2814_77_9 =  5.1E-08                                  ! [atm] type: Q, ref: 3088

! species:  darendoside b
! formula:  C_{17}H_{15}Cl_2N_5O_2
! trivial:  
! casrn:    13301-61-6
! inchikey: KHZRTXVUEZJYNE-UHFFFAOYSA-N
Hvpx___13301_61_6 =  2.0E-08                                  ! [atm] type: Q, ref: 2995
Hvpx___13301_61_6 =  1.1E-07                                  ! [atm] type: Q, ref: 2995
Hvpx___13301_61_6 =  2.1E-08                                  ! [atm] type: Q, ref: 2995
Hvpx___13301_61_6 =  7.4E-06                                  ! [atm] type: Q, ref: 2995

! species:  butenachlor
! formula:  C_{17}H_{24}NO_2Cl
! trivial:  
! casrn:    87310-56-3
! inchikey: HZDIJTXDRLNTIS-DAXSKMNVSA-N
Hvpx___87310_56_3 =  5.5E-03                                  ! [atm] type: ?, ref: 3087

! species:  butachlor
! formula:  C_{17}H_{26}ClNO_2
! trivial:  
! casrn:    23184-66-9
! inchikey: HKPHPIREJKHECO-UHFFFAOYSA-N
Hvpx___23184_66_9 =  3.3E-03                                  ! [atm] type: M, ref: 2538
Hvpx___23184_66_9 =  4.4E-03                                  ! [atm] type: V, ref: 2614
Hvpx___23184_66_9 =  8.0E-04                                  ! [atm] type: Q, ref: 2521
Hvpx___23184_66_9 =  3.3E-03                                  ! [atm] type: Q, ref: 2530

! species:  pretilachlor
! formula:  C_{17}H_{26}ClNO_2
! trivial:  
! casrn:    51218-49-6
! inchikey: YLPGTOIOYRQOHV-UHFFFAOYSA-N
Hvpx___51218_49_6 =  1.2E-04                                  ! [atm] type: Q, ref: 2521
Hvpx___51218_49_6 =  3.0E-03                                  ! [atm] type: Q, ref: 2530

! species:  halofenozide
! formula:  C_{18}H_{19}ClN_2O_2
! trivial:  
! casrn:    112226-61-6
! inchikey: CNKHSLKYRMDDNQ-UHFFFAOYSA-N
Hvpx__112226_61_6 =  2.0E-06                                  ! [atm] type: Q, ref: 3088

! species:  benzoximate
! formula:  C_{18}H_{18}ClNO_5
! trivial:  
! casrn:    29104-30-1
! inchikey: BZMIHNKNQJJVRO-UHFFFAOYSA-N
Hvpx___29104_30_1 =  3.0E-03                                  ! [atm] type: V, ref: 3586
Hvpx___29104_30_1 =  3.6E-06                                  ! [atm] type: Q, ref: 3586

! species:  pencycuron
! formula:  C_{19}H_{21}ClN_2O
! trivial:  
! casrn:    66063-05-6
! inchikey: OGYFATSSENRIKG-UHFFFAOYSA-N
Hvpx___66063_05_6 =  2.7E-07                                  ! [atm] type: ?, ref: 3549

! species:  valifenalate
! formula:  C_{19}H_{27}ClN_2O_5
! trivial:  
! casrn:    283159-90-0
! inchikey: DBXFMOWZRXXBRN-LWKPJOBUSA-N
Hvpx__283159_90_0 =  8.7E-07                                  ! [atm] type: ?, ref: 3549

! species:  pyrazoxyfen
! formula:  C_{20}H_{16}Cl_2N_2O_3
! trivial:  
! casrn:    71561-11-0
! inchikey: FKERUJTUOYLBKB-UHFFFAOYSA-N
Hvpx___71561_11_0 =  1.2E-05                                  ! [atm] type: V, ref: 3586
Hvpx___71561_11_0 =  2.8E-05                                  ! [atm] type: Q, ref: 3586

! species:  $\alpha$-cypermethrin
! formula:  C_{22}H_{19}Cl_2NO_3
! trivial:  
! casrn:    67375-30-8
! inchikey: KAATUXNTWXVJKI-DXCJPMOASA-N
Hvpx___67375_30_8 =  5.3E-01                                  ! [atm] type: V, ref: 3088
Hvpx___67375_30_8 =  5.4E-03                                  ! [atm] type: V, ref: 2614
Hvpx___67375_30_8 =  2.9E-02                                  ! [atm] type: ?, ref: 3549

! species:  cypermethrin-$\beta$
! formula:  C_{22}H_{19}Cl_2NO_3
! trivial:  
! casrn:    1224510-29-5
! inchikey: KAATUXNTWXVJKI-FLXSOZOKSA-N
Hvpx_1224510_29_5 =  9.8E-03                                  ! [atm] type: ?, ref: 3766

! species:  $\beta$-cypermethrin
! formula:  C_{22}H_{19}Cl_2NO_3
! trivial:  
! casrn:    65731-84-2
! inchikey: KAATUXNTWXVJKI-NSHGMRRFSA-N

! species:  $\delta$-cypermethrin
! formula:  C_{22}H_{19}Cl_2NO_3
! trivial:  cypermethrin; alphamethrin
! casrn:    52315-07-8
! inchikey: KAATUXNTWXVJKI-UHFFFAOYSA-N
Hvpx___52315_07_8 =  1.3E-02                                  ! [atm] type: V, ref: 3088
Hvpx___52315_07_8 =  1.3E-03                                  ! [atm] type: V, ref: 2614
Hvpx___52315_07_8 =  4.4E-02                                  ! [atm] type: V, ref: 2973
Hvpx___52315_07_8 =  2.2E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx___52315_07_8 =  5.2E-02                                  ! [atm] type: Q, ref: 3729
Hvpx___52315_07_8 =  1.3E-02                                  ! [atm] type: ?, ref: 3549
Hvpx___52315_07_8 =  1.1E-08                                  ! [atm] type: ?, ref: 3549

! species:  $\theta$-cypermethrin
! formula:  C_{22}H_{19}Cl_2NO_3
! trivial:  
! casrn:    71697-59-1
! inchikey: KAATUXNTWXVJKI-GGPKGHCWSA-N
Hvpx___71697_59_1 =  8.9E-04                                  ! [atm] type: ?, ref: 3766

! species:  $\zeta$-cypermethrin
! formula:  C_{22}H_{19}Cl_2NO_3
! trivial:  
! casrn:    1315501-18-8
! inchikey: KAATUXNTWXVJKI-QPIRBTGLSA-N
Hvpx_1315501_18_8 =  1.3E-03                                  ! [atm] type: ?, ref: 3766

! species:  ochratoxin C
! formula:  C_{22}H_{22}ClNO_6
! trivial:  
! casrn:    4865-85-4
! inchikey: BPZZWRPHVVDAPT-PXAZEXFGSA-N
Hvpx____4865_85_4 =  7.2E-10                                  ! [atm] type: Q, ref: 3088

! species:  quizalofop-p-tefuryl
! formula:  C_{22}H_{21}N_2O_5Cl
! trivial:  
! casrn:    119738-06-6
! inchikey: BBKDWPHJZANJGB-UHFFFAOYSA-N
Hvpx__119738_06_6 =  3.1E-05                                  ! [atm] type: V, ref: 3586
Hvpx__119738_06_6 =  1.6E-07                                  ! [atm] type: Q, ref: 3586

! species:  mandipropamid
! formula:  C_{23}H_{22}ClNO_4
! trivial:  
! casrn:    374726-62-2
! inchikey: KWLVWJPJKJMCSH-UHFFFAOYSA-N
Hvpx__374726_62_2 =  5.1E-05                                  ! [atm] type: V, ref: 3088
Hvpx__374726_62_2 =  5.0E-05                                  ! [atm] type: ?, ref: 3549

! species:  fenvalerate
! formula:  C_{25}H_{22}ClNO_3
! trivial:  
! casrn:    51630-58-1
! inchikey: NYPJDWWKZLNGGM-UHFFFAOYSA-N
Hvpx___51630_58_1 =  1.9E-03                                  ! [atm] type: V, ref: 3586
Hvpx___51630_58_1 =  1.9E-03                                  ! [atm] type: V, ref: 3088
Hvpx___51630_58_1 =  1.2E-02                                  ! [atm] type: V, ref: 2614
Hvpx___51630_58_1 =  7.7E-03                                  ! [atm] type: V, ref: 1995
Hvpx___51630_58_1 =  1.7E-04                                  ! [atm] type: Q, ref: 3586

! species:  esfenvalerate
! formula:  C_{25}H_{22}ClNO_3
! trivial:  
! casrn:    66230-04-4
! inchikey: NYPJDWWKZLNGGM-ZEQRLZLVSA-N
Hvpx___66230_04_4 =  2.3E-02                                  ! [atm] type: V, ref: 3586
Hvpx___66230_04_4 =  2.3E-02                                  ! [atm] type: V, ref: 3088
Hvpx___66230_04_4 =  1.7E-04                                  ! [atm] type: Q, ref: 3586
Hvpx___66230_04_4 =  2.7E-04                                  ! [atm] type: ?, ref: 3549

! species:  clopyralid
! formula:  C_6H_3Cl_2NO_2
! trivial:  
! casrn:    1702-17-6
! inchikey: HUBANNPOLNYSAD-UHFFFAOYSA-N
Hvpx____1702_17_6 =  1.7E-04                                  ! [atm] type: V, ref: 3586
Hvpx____1702_17_6 =  1.7E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx____1702_17_6 =  3.0E-04                                  ! [atm] type: Q, ref: 3586
Hvpx____1702_17_6 =  1.5E-02                                  ! [atm] type: Q, ref: 3729
Hvpx____1702_17_6 =  1.8E-10                                  ! [atm] type: ?, ref: 3549
Hvpx____1702_17_6 =  1.2E-11                                  ! [atm] type: ?, ref: 3549
Hvpx____1702_17_6 =  8.7E-12                                  ! [atm] type: ?, ref: 3549
Hvpx____1702_17_6 =  9.8E-12                                  ! [atm] type: ?, ref: 3549

! species:  picloram
! formula:  C_6H_3Cl_3N_2O_2
! trivial:  
! casrn:    1918-02-1
! inchikey: NQQVFXUMIDALNH-UHFFFAOYSA-N
Hvpx____1918_02_1 =  1.8E-05                                  ! [atm] type: V, ref: 2614
Hvpx____1918_02_1 =  1.9E-05                                  ! [atm] type: V, ref: 1157
Hvpx____1918_02_1 =  1.9E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx____1918_02_1 =  7.1E-08                                  ! [atm] type: Q, ref: 2995
Hvpx____1918_02_1 =  2.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1918_02_1 =  6.0E-06                                  ! [atm] type: Q, ref: 2995
Hvpx____1918_02_1 =  3.5E-09                                  ! [atm] type: Q, ref: 2995
Hvpx____1918_02_1 =  4.9E-04                                  ! [atm] type: Q, ref: 3729
Hvpx____1918_02_1 =  2.6E-05                                  ! [atm] type: ?, ref: 3549

! species:  aminopyralid
! formula:  C_6H_4Cl_2N_2O_2
! trivial:  
! casrn:    150114-71-9
! inchikey: NIXXQNOQHKNPEJ-UHFFFAOYSA-N
Hvpx__150114_71_9 =  9.4E-08                                  ! [atm] type: Q, ref: 3088
Hvpx__150114_71_9 =  5.2E-12                                  ! [atm] type: ?, ref: 3549

! species:  3,4,5,6-tetrachloropyridine-2-carboxylic acid
! formula:  C_6HCl_4NO_2
! trivial:  
! casrn:    10469-09-7
! inchikey: GXFRQLQUKBSYQL-UHFFFAOYSA-N
Hvpx___10469_09_7 =  1.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___10469_09_7 =  2.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___10469_09_7 =  4.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___10469_09_7 =  1.3E-05                                  ! [atm] type: Q, ref: 2995

! species:  [(3,5,6-trichloro-2-pyridinyl)oxy]-acetic acid
! formula:  C_7H_4Cl_3NO_3
! trivial:  triclopyr
! casrn:    55335-06-3
! inchikey: REEQLXCGVXDJSQ-UHFFFAOYSA-N
Hvpx___55335_06_3 =  5.3E-05                                  ! [atm] type: V, ref: 3586
Hvpx___55335_06_3 =  5.4E-05                                  ! [atm] type: V, ref: 3088
Hvpx___55335_06_3 =  4.5E-05                                  ! [atm] type: C, ref: 3073
Hvpx___55335_06_3 =  1.7E-04                                  ! [atm] type: Q, ref: 3586
Hvpx___55335_06_3 =  4.8E-05                                  ! [atm] type: ?, ref: 3549
Hvpx___55335_06_3 =  2.6E-06                                  ! [atm] type: ?, ref: 3549
Hvpx___55335_06_3 =  2.4E-06                                  ! [atm] type: ?, ref: 3549

! species:  clopidol
! formula:  C_7H_7Cl_2NO
! trivial:  
! casrn:    2971-90-6
! inchikey: ZDPIZLCVJAAHHR-UHFFFAOYSA-N
Hvpx____2971_90_6 =  5.5E-05                                  ! [atm] type: Q, ref: 3088

! species:  [(3,5,6-trichloro-2-pyridinyl)oxy]-acetic acid, methyl ester
! formula:  C_8H_6Cl_3NO_3
! trivial:  
! casrn:    60825-26-5
! inchikey: MNYBZEHWPRTNJY-UHFFFAOYSA-N
Hvpx___60825_26_5 =  9.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___60825_26_5 =  1.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___60825_26_5 =  1.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___60825_26_5 =  1.6E-03                                  ! [atm] type: Q, ref: 2995

! species:  aminocyclopyrachlor
! formula:  C_8H_8ClN_3O_2
! trivial:  
! casrn:    858956-08-8
! inchikey: KWAIHLIXESXTJL-UHFFFAOYSA-N
Hvpx__858956_08_8 =  4.3E-08                                  ! [atm] type: ?, ref: 3766

! species:  uracil mustard
! formula:  C_8H_{11}Cl_2N_3O_2
! trivial:  
! casrn:    66-75-1
! inchikey: IDPUKCWIGUEADI-UHFFFAOYSA-N
Hvpx______66_75_1 =  2.2E-08                                  ! [atm] type: Q, ref: 3088

! species:  imidacloprid
! formula:  C_9H_{10}ClN_5O_2
! trivial:  
! casrn:    138261-41-3
! inchikey: YWTYJOPNNQFBPC-UHFFFAOYSA-N
Hvpx__138261_41_3 =  1.1E-10                                  ! [atm] type: C, ref: 3073
Hvpx__138261_41_3 =  9.3E-11                                  ! [atm] type: ?, ref: 3549

! species:  ethyl [(3,5,6-trichloro-2-pyridinyl)oxy]acetate
! formula:  C_9H_8Cl_3NO_3
! trivial:  
! casrn:    60825-27-6
! inchikey: KXAVVWXJUDQGDA-UHFFFAOYSA-N
Hvpx___60825_27_6 =  1.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___60825_27_6 =  3.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___60825_27_6 =  2.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___60825_27_6 =  1.7E-03                                  ! [atm] type: Q, ref: 2995

! species:  N-methyl-3,4,5,6-tetrachlorophthalimide
! formula:  C_9H_3Cl_4NO_2
! trivial:  
! casrn:    14737-80-5
! inchikey: OHCSZUQRNNNMRG-UHFFFAOYSA-N
Hvpx___14737_80_5 =  3.7E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___14737_80_5 =  4.6E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___14737_80_5 =  1.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___14737_80_5 =  1.8E-04                                  ! [atm] type: Q, ref: 2995

! species:  terbacil
! formula:  C_9H_{13}ClN_2O_2
! trivial:  
! casrn:    5902-51-2
! inchikey: NBQCNZYJJMBDKY-UHFFFAOYSA-N
Hvpx____5902_51_2 =  1.1E-05                                  ! [atm] type: V, ref: 3088
Hvpx____5902_51_2 =  8.4E-06                                  ! [atm] type: V, ref: 2614
Hvpx____5902_51_2 =  6.9E-06                                  ! [atm] type: V, ref: 2614
Hvpx____5902_51_2 =  9.8E-06                                  ! [atm] type: V, ref: 1157
Hvpx____5902_51_2 =  1.0E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx____5902_51_2 =  1.2E-03                                  ! [atm] type: Q, ref: 3729

! species:  eglinazine-ethyl
! formula:  C_9H_{14}ClN_5O_2
! trivial:  
! casrn:    6616-80-4
! inchikey: YESXTECNXIKUMM-UHFFFAOYSA-N
Hvpx____6616_80_4 =  1.3E-05                                  ! [atm] type: ?, ref: 3766

! species:  proglinazine ethyl ester
! formula:  C_{10}H_{16}ClN_5O_2
! trivial:  
! casrn:    68228-18-2
! inchikey: QQADVTSTCZBBOE-UHFFFAOYSA-N
Hvpx___68228_18_2 =  5.3E-05                                  ! [atm] type: ?, ref: 3766

! species:  triforine
! formula:  C_{10}H_{14}Cl_6N_4O_2
! trivial:  
! casrn:    26644-46-2
! inchikey: RROQIUMZODEXOR-UHFFFAOYSA-N
Hvpx___26644_46_2 =  2.1E-04                                  ! [atm] type: V, ref: 3088
Hvpx___26644_46_2 =  2.1E-04                                  ! [atm] type: V, ref: 2614

! species:  drazoxolon
! formula:  C_{10}H_8ClN_3O_2
! trivial:  
! casrn:    5707-69-7
! inchikey: OOTHTARUZHONSW-UHFFFAOYSA-N
Hvpx____5707_69_7 =  3.9E-03                                  ! [atm] type: ?, ref: 3766

! species:  anagrelide
! formula:  C_{10}H_7Cl_2N_3O
! trivial:  
! casrn:    68475-42-3
! inchikey: OTBXOEAOVRKTNQ-UHFFFAOYSA-N
Hvpx___68475_42_3 =  1.5E-08                                  ! [atm] type: Q, ref: 3088

! species:  fenpiclonil
! formula:  C_{11}H_6Cl_2N_2
! trivial:  
! casrn:    74738-17-3
! inchikey: FKLFBQCQQYDUAM-UHFFFAOYSA-N
Hvpx___74738_17_3 =  3.0E-04                                  ! [atm] type: V, ref: 3586
Hvpx___74738_17_3 =  1.0E-03                                  ! [atm] type: Q, ref: 3586
Hvpx___74738_17_3 =  2.9E-04                                  ! [atm] type: ?, ref: 3087

! species:  benoxacor
! formula:  C_{11}H_{11}Cl_2NO_2
! trivial:  
! casrn:    98730-04-2
! inchikey: PFJJMJDEVDLPNE-UHFFFAOYSA-N
Hvpx___98730_04_2 =  4.2E-03                                  ! [atm] type: V, ref: 3586
Hvpx___98730_04_2 =  1.9E-03                                  ! [atm] type: Q, ref: 3586
Hvpx___98730_04_2 =  4.2E-03                                  ! [atm] type: ?, ref: 3549

! species:  ethychlozate
! formula:  C_{11}H_{11}ClN_2O_2
! trivial:  
! casrn:    27512-72-7
! inchikey: GLPZEHFBLBYFHN-UHFFFAOYSA-N
Hvpx___27512_72_7 =  3.4E-05                                  ! [atm] type: ?, ref: 3766

! species:  quinmerac
! formula:  C_{11}H_8ClNO_2
! trivial:  
! casrn:    90717-03-6
! inchikey: ALZOLUNSQWINIR-UHFFFAOYSA-N
Hvpx___90717_03_6 =  5.5E-11                                  ! [atm] type: ?, ref: 3549

! species:  quinonamid
! formula:  C_{12}H_6Cl_3NO_3
! trivial:  
! casrn:    27541-88-4
! inchikey: ZIEWAMOXCOLNSJ-UHFFFAOYSA-N
Hvpx___27541_88_4 =  6.8E-04                                  ! [atm] type: ?, ref: 3766

! species:  fenchlorazole-ethyl
! formula:  C_{12}H_8N_3O_2Cl_5
! trivial:  
! casrn:    103112-35-2
! inchikey: GMBRUAIJEFRHFQ-UHFFFAOYSA-N
Hvpx__103112_35_2 =  2.0E-04                                  ! [atm] type: ?, ref: 3087

! species:  vinclozoline
! formula:  C_{12}H_9Cl_2NO_3
! trivial:  vinclozolin
! casrn:    50471-44-8
! inchikey: FSCWZHGZWWDELK-UHFFFAOYSA-N
Hvpx___50471_44_8 =  9.4E-04                                  ! [atm] type: V, ref: 3088
Hvpx___50471_44_8 =  2.1E-06                                  ! [atm] type: V, ref: 2614
Hvpx___50471_44_8 =  6.0E-03                                  ! [atm] type: V, ref: 2967
Hvpx___50471_44_8 =  7.2E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx___50471_44_8 =  3.2E-01                                  ! [atm] type: Q, ref: 3729

! species:  forchlorfenuron
! formula:  C_{12}H_{10}ClN_3O
! trivial:  
! casrn:    68157-60-8
! inchikey: GPXLRLUVLMHHIK-UHFFFAOYSA-N
Hvpx___68157_60_8 =  1.6E-07                                  ! [atm] type: V, ref: 3586
Hvpx___68157_60_8 =  1.6E-07                                  ! [atm] type: X, ref: macbean2012
Hvpx___68157_60_8 =  3.2E-02                                  ! [atm] type: Q, ref: 3586
Hvpx___68157_60_8 =  1.6E-07                                  ! [atm] type: ?, ref: 3549

! species:  azaconazole
! formula:  C_{12}H_{11}Cl_2N_3O_2
! trivial:  
! casrn:    60207-31-0
! inchikey: AKNQMEBLVAMSNZ-UHFFFAOYSA-N
Hvpx___60207_31_0 =  1.1E-05                                  ! [atm] type: ?, ref: 3766

! species:  myclozolin
! formula:  C_{12}H_{11}NO_4Cl_2
! trivial:  
! casrn:    54864-61-8
! inchikey: FTCOKXNKPOUEFH-UHFFFAOYSA-N
Hvpx___54864_61_8 =  1.5E-03                                  ! [atm] type: ?, ref: 3087

! species:  triclopyr-butotyl
! formula:  C_{13}H_{16}Cl_3NO_4
! trivial:  
! casrn:    64700-56-7
! inchikey: IVDRCZNHVGQBHZ-UHFFFAOYSA-N
Hvpx___64700_56_7 =  1.6E-03                                  ! [atm] type: ?, ref: 3549

! species:  clofencet
! formula:  C_{13}H_{11}ClN_2O_3
! trivial:  
! casrn:    129025-54-3
! inchikey: PIZCXVUFSNPNON-UHFFFAOYSA-N
Hvpx__129025_54_3 =  2.9E-09                                  ! [atm] type: V, ref: 3088
Hvpx__129025_54_3 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  chlozolinate
! formula:  C_{13}H_{11}NO_5Cl_2
! trivial:  
! casrn:    84332-86-5
! inchikey: IGUYEXXAGBDLLX-UHFFFAOYSA-N
Hvpx___84332_86_5 =  7.2E-05                                  ! [atm] type: V, ref: 3586
Hvpx___84332_86_5 =  1.2E-03                                  ! [atm] type: V, ref: 3586
Hvpx___84332_86_5 =  1.9E-02                                  ! [atm] type: Q, ref: 3586
Hvpx___84332_86_5 =  1.9E-02                                  ! [atm] type: Q, ref: 3586
Hvpx___84332_86_5 =  1.3E-03                                  ! [atm] type: ?, ref: 3087

! species:  monalide
! formula:  C_{13}H_{18}ClNO
! trivial:  
! casrn:    7287-36-7
! inchikey: KXGYBSNVFXBPNO-UHFFFAOYSA-N
Hvpx____7287_36_7 =  1.4E-03                                  ! [atm] type: ?, ref: 3087

! species:  chlomethoxyfen
! formula:  C_{13}H_9Cl_2NO_4
! trivial:  
! casrn:    32861-85-1
! inchikey: DXXVCXKMSWHGTF-UHFFFAOYSA-N
Hvpx___32861_85_1 =  1.1E+00                                  ! [atm] type: ?, ref: 3766

! species:  metazachlor
! formula:  C_{14}H_{16}ClN_3O
! trivial:  
! casrn:    67129-08-2
! inchikey: STEPQTYSZVCJPV-UHFFFAOYSA-N
Hvpx___67129_08_2 =  4.3E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx___67129_08_2 =  1.6E-03                                  ! [atm] type: Q, ref: 3729
Hvpx___67129_08_2 =  7.6E-05                                  ! [atm] type: Q, ref: 2530
Hvpx___67129_08_2 =  3.2E-05                                  ! [atm] type: ?, ref: 3549

! species:  etaconazole
! formula:  C_{14}H_{15}Cl_2N_3O_2
! trivial:  
! casrn:    60207-93-4
! inchikey: DWRKFAJEBUWTQM-UHFFFAOYSA-N
Hvpx___60207_93_4 =  6.9E-05                                  ! [atm] type: ?, ref: 3087

! species:  triadimenol
! formula:  C_{14}H_{18}ClN_3O_2
! trivial:  
! casrn:    55219-65-3
! inchikey: BAZVSMNPJJMILC-UHFFFAOYSA-N
Hvpx___55219_65_3 =  7.2E-08                                  ! [atm] type: V, ref: 3088
Hvpx___55219_65_3 =  1.4E-07                                  ! [atm] type: V, ref: 2614
Hvpx___55219_65_3 =  1.2E-06                                  ! [atm] type: ?, ref: 3549

! species:  hexaconazole
! formula:  C_{14}H_{17}Cl_2N_3O
! trivial:  
! casrn:    79983-71-4
! inchikey: STMIIPIFODONDC-UHFFFAOYSA-N
Hvpx___79983_71_4 =  1.9E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx___79983_71_4 =  9.1E-03                                  ! [atm] type: Q, ref: 3729

! species:  triadimefon
! formula:  C_{14}H_{16}ClN_3O_2
! trivial:  
! casrn:    43121-43-3
! inchikey: WURBVZBTWMNKQT-UHFFFAOYSA-N
Hvpx___43121_43_3 =  4.5E-06                                  ! [atm] type: V, ref: 3586
Hvpx___43121_43_3 =  4.5E-06                                  ! [atm] type: V, ref: 3088
Hvpx___43121_43_3 =  4.5E-06                                  ! [atm] type: V, ref: 2614
Hvpx___43121_43_3 =  3.6E-03                                  ! [atm] type: Q, ref: 3586

! species:  imazalil
! formula:  C_{14}H_{14}Cl_2N_2O
! trivial:  
! casrn:    35554-44-0
! inchikey: PZBPKYOVPCNPJY-UHFFFAOYSA-N
Hvpx___35554_44_0 =  1.4E-04                                  ! [atm] type: V, ref: 3088
Hvpx___35554_44_0 =  1.1E-06                                  ! [atm] type: V, ref: 2614
Hvpx___35554_44_0 =  5.9E-05                                  ! [atm] type: ?, ref: 3549

! species:  pyrifenox
! formula:  C_{14}H_{12}Cl_2N_2O
! trivial:  
! casrn:    88283-41-4
! inchikey: CKPCAYZTYMHQEX-UHFFFAOYSA-N
Hvpx___88283_41_4 =  2.4E-03                                  ! [atm] type: ?, ref: 3766

! species:  chlorphthalim
! formula:  C_{14}H_{12}ClNO_2
! trivial:  
! casrn:    39985-63-2
! inchikey: MJQBFSWPMMHVSM-UHFFFAOYSA-N
Hvpx___39985_63_2 =  1.1E-03                                  ! [atm] type: ?, ref: 3766

! species:  cyprofuram
! formula:  C_{14}H_{14}ClNO_3
! trivial:  
! casrn:    69581-33-5
! inchikey: KRZUZYJEQBXUIN-UHFFFAOYSA-N
Hvpx___69581_33_5 =  1.7E-06                                  ! [atm] type: ?, ref: 3766

! species:  ofurace
! formula:  C_{14}H_{16}ClNO_3
! trivial:  
! casrn:    58810-48-3
! inchikey: OWDLFBLNMPCXSD-UHFFFAOYSA-N
Hvpx___58810_48_3 =  4.8E-05                                  ! [atm] type: ?, ref: 3766

! species:  triadimenol B
! formula:  C_{14}H_{18}ClN_3O_2
! trivial:  
! casrn:    82200-72-4
! inchikey: UNKNOWN
Hvpx___82200_72_4 =  4.8E-06                                  ! [atm] type: ?, ref: 3766

! species:  triadimenol A
! formula:  C_{14}H_{18}ClN_3O_2
! trivial:  
! casrn:    89482-17-7
! inchikey: UNKNOWN
Hvpx___89482_17_7 =  4.3E-06                                  ! [atm] type: ?, ref: 3766

! species:  propiconazole
! formula:  C_{15}H_{17}Cl_2N_3O_2
! trivial:  
! casrn:    60207-90-1
! inchikey: STJLVHWMYQXCPB-UHFFFAOYSA-N
Hvpx___60207_90_1 =  5.0E-05                                  ! [atm] type: V, ref: 3088
Hvpx___60207_90_1 =  9.5E-05                                  ! [atm] type: V, ref: 2614
Hvpx___60207_90_1 =  2.2E-04                                  ! [atm] type: V, ref: 2967
Hvpx___60207_90_1 =  2.3E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx___60207_90_1 =  1.8E-02                                  ! [atm] type: Q, ref: 3729

! species:  clonazepam
! formula:  C_{15}H_{10}ClN_3O_3
! trivial:  
! casrn:    1622-61-3
! inchikey: DGBIGWXXNGSACT-UHFFFAOYSA-N
Hvpx____1622_61_3 =  3.9E-08                                  ! [atm] type: Q, ref: 3088

! species:  oxazepam
! formula:  C_{15}H_{12}ClN_2O_2
! trivial:  
! casrn:    604-75-1
! inchikey: ADIMAYPTOBDMTL-UHFFFAOYSA-N
Hvpx_____604_75_1 =  3.0E-05                                  ! [atm] type: Q, ref: 3088

! species:  oxadiazon
! formula:  C_{15}H_{18}Cl_2N_2O_3
! trivial:  
! casrn:    19666-30-9
! inchikey: CHNUNORXWHYHNE-UHFFFAOYSA-N
Hvpx___19666_30_9 =  3.9E-03                                  ! [atm] type: V, ref: 3088
Hvpx___19666_30_9 =  3.9E-03                                  ! [atm] type: C, ref: 3073

! species:  cyproconazole
! formula:  C_{15}H_{18}ClN_3O
! trivial:  
! casrn:    94361-06-5
! inchikey: UFNOUKDBUJZYDE-UHFFFAOYSA-N
Hvpx___94361_06_5 =  3.9E-05                                  ! [atm] type: V, ref: 3088
Hvpx___94361_06_5 =  4.0E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx___94361_06_5 =  1.6E-03                                  ! [atm] type: Q, ref: 3729
Hvpx___94361_06_5 =  2.7E-05                                  ! [atm] type: ?, ref: 3549

! species:  diclobutrazol
! formula:  C_{15}H_{19}Cl_2N_3O
! trivial:  
! casrn:    75736-33-3
! inchikey: URDNHJIVMYZFRT-UHFFFAOYSA-N
Hvpx___75736_33_3 =  6.8E-05                                  ! [atm] type: ?, ref: 3087

! species:  paclobutrazol
! formula:  C_{15}H_{20}ClN_3O
! trivial:  
! casrn:    76738-62-0
! inchikey: RMOGWMIKYWRTKW-UHFFFAOYSA-N
Hvpx___76738_62_0 =  1.3E-05                                  ! [atm] type: ?, ref: 3549

! species:  prochloraz
! formula:  C_{15}H_{16}Cl_3N_3O_2
! trivial:  
! casrn:    67747-09-5
! inchikey: TVLSRXXIMLFWEO-UHFFFAOYSA-N
Hvpx___67747_09_5 =  9.1E-04                                  ! [atm] type: V, ref: 3586
Hvpx___67747_09_5 =  9.4E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx___67747_09_5 =  8.6E-05                                  ! [atm] type: Q, ref: 3586
Hvpx___67747_09_5 =  9.3E-01                                  ! [atm] type: Q, ref: 3729
Hvpx___67747_09_5 =  9.0E-04                                  ! [atm] type: ?, ref: 3549

! species:  {\it cis}-propiconazole
! formula:  C_{15}H_{17}Cl_2N_3O_2
! trivial:  
! casrn:    112721-87-6
! inchikey: UNKNOWN
Hvpx__112721_87_6 =  4.6E-05                                  ! [atm] type: ?, ref: 3766

! species:  {\it trans}-propiconazole
! formula:  C_{15}H_{17}Cl_2N_3O_2
! trivial:  
! casrn:    120523-07-1
! inchikey: UNKNOWN
Hvpx__120523_07_1 =  7.0E-05                                  ! [atm] type: ?, ref: 3766

! species:  fenoxanil
! formula:  C_{15}H_{18}Cl_2N_2O_2
! trivial:  
! casrn:    115852-48-7
! inchikey: IUOKJNROJISWRO-UHFFFAOYSA-N
Hvpx__115852_48_7 =  1.1E-07                                  ! [atm] type: ?, ref: 3766

! species:  carpropamid
! formula:  C_{15}H_{18}Cl_3NO
! trivial:  
! casrn:    104030-54-8
! inchikey: RXDMAYSSBPYBFW-UHFFFAOYSA-N
Hvpx__104030_54_8 =  6.5E-04                                  ! [atm] type: ?, ref: 3766

! species:  propisochlor
! formula:  C_{15}H_{22}ClNO_2
! trivial:  
! casrn:    86763-47-5
! inchikey: KZNDFYDURHAESM-UHFFFAOYSA-N
Hvpx___86763_47_5 =  9.8E-03                                  ! [atm] type: ?, ref: 3766

! species:  mefenpyr-diethyl
! formula:  C_{16}H_{18}Cl_2N_2O_4
! trivial:  
! casrn:    135590-91-9
! inchikey: OPGCOAPTHCZZIW-UHFFFAOYSA-N
Hvpx__135590_91_9 =  1.4E-04                                  ! [atm] type: ?, ref: 3549
Hvpx__135590_91_9 =  6.4E-05                                  ! [atm] type: ?, ref: 3549

! species:  diazepam
! formula:  C_{16}H_{13}ClN_2O
! trivial:  
! casrn:    439-14-5
! inchikey: AAOVKJBEBIDNHE-UHFFFAOYSA-N
Hvpx_____439_14_5 =  2.0E-04                                  ! [atm] type: Q, ref: 3088

! species:  bendamustine
! formula:  C_{16}H_{21}Cl_2N_3O_2
! trivial:  
! casrn:    16506-27-7
! inchikey: YTKUWDBFDASYHO-UHFFFAOYSA-N
Hvpx___16506_27_7 =  2.2E-08                                  ! [atm] type: Q, ref: 3088

! species:  fentrazamide
! formula:  C_{16}H_{20}ClN_5O_2
! trivial:  
! casrn:    158237-07-1
! inchikey: LLQPHQFNMLZJMP-UHFFFAOYSA-N
Hvpx__158237_07_1 =  1.1E-05                                  ! [atm] type: ?, ref: 3766

! species:  piperalin
! formula:  C_{16}H_{21}Cl_2NO_2
! trivial:  
! casrn:    3478-94-2
! inchikey: BZGLBXYQOMFXAU-UHFFFAOYSA-N
Hvpx____3478_94_2 =  1.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  tebuconazole
! formula:  C_{16}H_{22}ClN_3O
! trivial:  
! casrn:    107534-96-3
! inchikey: PXMNMQRDXWABCY-UHFFFAOYSA-N
Hvpx__107534_96_3 =  7.7E-06                                  ! [atm] type: V, ref: 3088
Hvpx__107534_96_3 =  5.2E-04                                  ! [atm] type: X, ref: barcelo97
Hvpx__107534_96_3 =  2.4E-03                                  ! [atm] type: Q, ref: 3729
Hvpx__107534_96_3 =  5.5E-06                                  ! [atm] type: ?, ref: 3549

! species:  diethatyl-ethyl
! formula:  C_{16}H_{22}ClNO_3
! trivial:  
! casrn:    38727-55-8
! inchikey: WFKSADNZWSKCRZ-UHFFFAOYSA-N
Hvpx___38727_55_8 =  6.9E-04                                  ! [atm] type: ?, ref: 3766

! species:  fenarimol
! formula:  C_{17}H_{12}Cl_2N_2O
! trivial:  
! casrn:    60168-88-9
! inchikey: NHOWDZOIZKMVAI-UHFFFAOYSA-N
Hvpx___60168_88_9 =  3.9E-04                                  ! [atm] type: V, ref: 3586
Hvpx___60168_88_9 =  3.8E-04                                  ! [atm] type: V, ref: 2614
Hvpx___60168_88_9 =  7.0E-07                                  ! [atm] type: Q, ref: 3586

! species:  cumyluron
! formula:  C_{17}H_{19}ClN_2O
! trivial:  
! casrn:    99485-76-4
! inchikey: VYNOULHXXDFBLU-UHFFFAOYSA-N
Hvpx___99485_76_4 =  2.1E-07                                  ! [atm] type: ?, ref: 3766

! species:  triticonazole
! formula:  C_{17}H_{20}N_3OCl
! trivial:  
! casrn:    131983-72-7
! inchikey: PPDBOQMNKNNODG-ZROIWOOFSA-N
Hvpx__131983_72_7 =  8.3E-06                                  ! [atm] type: Q, ref: 3088
Hvpx__131983_72_7 =  1.6E-05                                  ! [atm] type: ?, ref: 3549

! species:  furametpyr
! formula:  C_{17}H_{20}ClN_3O_2
! trivial:  
! casrn:    123572-88-3
! inchikey: NRTLIYOWLVMQBO-UHFFFAOYSA-N
Hvpx__123572_88_3 =  9.2E-08                                  ! [atm] type: ?, ref: 3766

! species:  metconazole
! formula:  C_{17}H_{22}ClN_3O
! trivial:  
! casrn:    125116-23-6
! inchikey: XWPZUHJBOLQNMN-UHFFFAOYSA-N
Hvpx__125116_23_6 =  1.4E-04                                  ! [atm] type: V, ref: 3586
Hvpx__125116_23_6 =  4.1E-04                                  ! [atm] type: Q, ref: 3586
Hvpx__125116_23_6 =  1.2E-07                                  ! [atm] type: ?, ref: 3549

! species:  tepraloxydim
! formula:  C_{17}H_{24}ClNO_4
! trivial:  
! casrn:    149979-41-9
! inchikey: IOYNQIMAUDJVEI-BMVIKAAMSA-N
Hvpx__149979_41_9 =  1.1E-05                                  ! [atm] type: ?, ref: 3766

! species:  cloquintocet-mexyl
! formula:  C_{18}H_{22}ClNO_3
! trivial:  
! casrn:    99607-70-2
! inchikey: COYBRKAVBMYYSF-UHFFFAOYSA-N
Hvpx___99607_70_2 =  4.5E-05                                  ! [atm] type: V, ref: 3586
Hvpx___99607_70_2 =  1.6E-03                                  ! [atm] type: Q, ref: 3586
Hvpx___99607_70_2 =  1.6E-03                                  ! [atm] type: ?, ref: 3549

! species:  fenoxaprop-p-ethyl
! formula:  C_{18}H_{16}ClNO_5
! trivial:  
! casrn:    71283-80-2
! inchikey: PQKBPHSEKWERTG-LLVKDONJSA-N
Hvpx___71283_80_2 =  8.8E-04                                  ! [atm] type: V, ref: 3586
Hvpx___71283_80_2 =  2.4E-04                                  ! [atm] type: Q, ref: 3586
Hvpx___71283_80_2 =  1.5E-04                                  ! [atm] type: ?, ref: 3549

! species:  ipconazole
! formula:  C_{18}H_{24}ClN_3O
! trivial:  
! casrn:    125225-28-7
! inchikey: QTYCMDBMOLSEAM-UHFFFAOYSA-N
Hvpx__125225_28_7 =  1.4E-04                                  ! [atm] type: V, ref: 3586
Hvpx__125225_28_7 =  4.3E-04                                  ! [atm] type: Q, ref: 3586
Hvpx__125225_28_7 =  1.6E-05                                  ! [atm] type: ?, ref: 3549

! species:  pyriofenone
! formula:  C_{18}H_{20}ClNO_5
! trivial:  
! casrn:    688046-61-9
! inchikey: NMVCBWZLCXANER-UHFFFAOYSA-N
Hvpx__688046_61_9 =  1.0E-04                                  ! [atm] type: ?, ref: 3549

! species:  cintofen
! formula:  C_{18}H_{15}ClN_2O_5
! trivial:  sintofen
! casrn:    130561-48-7
! inchikey: QLMNCUHSDAGQGT-UHFFFAOYSA-N
Hvpx__130561_48_7 =  4.0E-08                                  ! [atm] type: ?, ref: 3549
Hvpx__130561_48_7 =  1.0E-10                                  ! [atm] type: ?, ref: 3549
Hvpx__130561_48_7 =  9.0E-11                                  ! [atm] type: ?, ref: 3549

! species:  boscalid
! formula:  C_{18}H_{12}Cl_2N_2O
! trivial:  
! casrn:    188425-85-6
! inchikey: WYEMLYFITZORAB-UHFFFAOYSA-N
Hvpx__188425_85_6 =  2.8E-05                                  ! [atm] type: X, ref: macbean2012
Hvpx__188425_85_6 =  2.8E-05                                  ! [atm] type: ?, ref: 3549

! species:  tebufenpyrad
! formula:  C_{18}H_{24}ClN_3O
! trivial:  
! casrn:    119168-77-3
! inchikey: ZZYSLNWGKKDOML-UHFFFAOYSA-N
Hvpx__119168_77_3 =  6.6E-04                                  ! [atm] type: V, ref: 3088
Hvpx__119168_77_3 =  6.0E-04                                  ! [atm] type: ?, ref: 3549

! species:  8,9,10,11-tetrachloro-12-phthaloperinone
! formula:  C_{18}H_6Cl_4N_2O
! trivial:  
! casrn:    20749-68-2
! inchikey: UBZVRROHBDDCQY-UHFFFAOYSA-N
Hvpx___20749_68_2 =  1.1E-06                                  ! [atm] type: Q, ref: 2995
Hvpx___20749_68_2 =  7.3E-11                                  ! [atm] type: Q, ref: 2995
Hvpx___20749_68_2 =  9.6E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___20749_68_2 =  2.8E-06                                  ! [atm] type: Q, ref: 2995

! species:  pigment red 254
! formula:  C_{18}H_{10}Cl_2N_2O_2
! trivial:  
! casrn:    84632-65-5
! inchikey: JNNHVXMCVRYTTN-UHFFFAOYSA-N
Hvpx___84632_65_5 =  1.6E-10                                  ! [atm] type: Q, ref: 2995
Hvpx___84632_65_5 =  1.4E-07                                  ! [atm] type: Q, ref: 2995
Hvpx___84632_65_5 =  2.8E-14                                  ! [atm] type: Q, ref: 2995
Hvpx___84632_65_5 =  2.5E-13                                  ! [atm] type: Q, ref: 2995

! species:  fenoxaprop-ethyl
! formula:  C_{18}H_{16}ClNO_5
! trivial:  
! casrn:    66441-23-4
! inchikey: PQKBPHSEKWERTG-UHFFFAOYSA-N
Hvpx___66441_23_4 =  8.7E-04                                  ! [atm] type: ?, ref: 3766

! species:  benzoylprop-ethyl
! formula:  C_{18}H_{17}Cl_2NO_3
! trivial:  
! casrn:    22212-55-1
! inchikey: SLCGUGMPSUYJAY-UHFFFAOYSA-N
Hvpx___22212_55_1 =  4.7E-05                                  ! [atm] type: ?, ref: 3766

! species:  difenoconazole
! formula:  C_{19}H_{17}Cl_2N_3O_3
! trivial:  
! casrn:    119446-68-3
! inchikey: BQYJATMQXGBDHF-UHFFFAOYSA-N
Hvpx__119446_68_3 =  4.9E-07                                  ! [atm] type: V, ref: 3586
Hvpx__119446_68_3 =  8.3E-05                                  ! [atm] type: X, ref: barcelo97
Hvpx__119446_68_3 =  1.8E-05                                  ! [atm] type: Q, ref: 3586
Hvpx__119446_68_3 =  7.1E-03                                  ! [atm] type: Q, ref: 3729
Hvpx__119446_68_3 =  4.9E-07                                  ! [atm] type: ?, ref: 3549

! species:  quizalofop ethyl
! formula:  C_{19}H_{17}ClN_2O_4
! trivial:  
! casrn:    76578-14-8
! inchikey: OSUHJPCHFDQAIT-UHFFFAOYSA-N
Hvpx___76578_14_8 =  5.9E-04                                  ! [atm] type: V, ref: 3586
Hvpx___76578_14_8 =  6.1E-04                                  ! [atm] type: V, ref: 3088
Hvpx___76578_14_8 =  1.4E-05                                  ! [atm] type: Q, ref: 3586
Hvpx___76578_14_8 =  3.7E-05                                  ! [atm] type: ?, ref: 3549

! species:  quizalofop-p-ethyl
! formula:  C_{19}H_{17}ClN_2O_4
! trivial:  
! casrn:    100646-51-3
! inchikey: OSUHJPCHFDQAIT-GFCCVEGCSA-N
Hvpx__100646_51_3 =  1.1E-04                                  ! [atm] type: ?, ref: 3766

! species:  pyraclostrobine
! formula:  C_{19}H_{18}ClN_3O_4
! trivial:  
! casrn:    175013-18-0
! inchikey: HZRSNVGNWUDEFX-UHFFFAOYSA-N
Hvpx__175013_18_0 =  2.9E-06                                  ! [atm] type: X, ref: macbean2012
Hvpx__175013_18_0 =  2.9E-06                                  ! [atm] type: ?, ref: 3549

! species:  pyrimidifen
! formula:  C_{20}H_{28}ClN_3O_2
! trivial:  
! casrn:    105779-78-0
! inchikey: ITKAIUGKVKDENI-UHFFFAOYSA-N
Hvpx__105779_78_0 =  1.5E-05                                  ! [atm] type: ?, ref: 3766

! species:  ponsol red violet 2rnx
! formula:  C_{21}H_8Cl_3NO_3
! trivial:  
! casrn:    6373-31-5
! inchikey: SQAQTWYUQXFOMH-UHFFFAOYSA-N
Hvpx____6373_31_5 =  2.3E-11                                  ! [atm] type: Q, ref: 2995
Hvpx____6373_31_5 =  1.3E-08                                  ! [atm] type: Q, ref: 2995
Hvpx____6373_31_5 =  5.5E-10                                  ! [atm] type: Q, ref: 2995
Hvpx____6373_31_5 =  1.2E-10                                  ! [atm] type: Q, ref: 2995

! species:  dimethomorph
! formula:  C_{21}H_{22}NO_4Cl
! trivial:  
! casrn:    110488-70-5
! inchikey: QNBTYORWCCMPQP-JXAWBTAJSA-N
Hvpx__110488_70_5 =  1.1E-05                                  ! [atm] type: V, ref: 3586
Hvpx__110488_70_5 =  5.9E-07                                  ! [atm] type: Q, ref: 3586
Hvpx__110488_70_5 =  5.5E-11                                  ! [atm] type: Q, ref: 3088
Hvpx__110488_70_5 =  2.9E-06                                  ! [atm] type: ?, ref: 3549
Hvpx__110488_70_5 =  1.4E-05                                  ! [atm] type: ?, ref: 3549

! species:  propaquizafop
! formula:  C_{22}H_{22}ClN_3O_5
! trivial:  
! casrn:    111479-05-1
! inchikey: FROBCXTULYFHEJ-UHFFFAOYSA-N
Hvpx__111479_05_1 =  1.7E-07                                  ! [atm] type: V, ref: 3586
Hvpx__111479_05_1 =  5.1E-08                                  ! [atm] type: Q, ref: 3586
Hvpx__111479_05_1 =  5.0E-08                                  ! [atm] type: ?, ref: 3549

! species:  aripiprazole
! formula:  C_{23}H_{27}Cl_2N_3O_2
! trivial:  
! casrn:    129722-12-9
! inchikey: CEUORZQYGODEFX-UHFFFAOYSA-N
Hvpx__129722_12_9 =  5.5E-13                                  ! [atm] type: Q, ref: 3088

! species:  ag-g-86814
! formula:  C_{26}H_6Cl_8N_2O_4
! trivial:  
! casrn:    30125-47-4
! inchikey: ZEHOVWPIGREOPO-UHFFFAOYSA-N
Hvpx___30125_47_4 =  3.0E-15                                  ! [atm] type: Q, ref: 2995
Hvpx___30125_47_4 =  5.6E-14                                  ! [atm] type: Q, ref: 2995
Hvpx___30125_47_4 =  5.1E-12                                  ! [atm] type: Q, ref: 2995
Hvpx___30125_47_4 =  1.3E-15                                  ! [atm] type: Q, ref: 2995

! species:  8,18-dichloro-5,15-diethyl-5,15-dihydrodiindolo(3,2-b:3',2'-m)triphenodioxazine
! formula:  C_{34}H_{22}Cl_2N_4O_2
! trivial:  
! casrn:    6358-30-1
! inchikey: CGLVZFOCZLHKOH-UHFFFAOYSA-N
Hvpx____6358_30_1 =  6.8E-08                                  ! [atm] type: Q, ref: 2995
Hvpx____6358_30_1 =  3.0E-13                                  ! [atm] type: Q, ref: 2995
Hvpx____6358_30_1 =  8.7E-08                                  ! [atm] type: Q, ref: 2995
Hvpx____6358_30_1 =  5.3E-11                                  ! [atm] type: Q, ref: 2995

! species:  chlorofluoromethane
! formula:  CH_2FCl
! trivial:  R31
! casrn:    593-70-4
! inchikey: XWCDCDSDNJVCLO-UHFFFAOYSA-N
Hvpx_____593_70_4 =  3.7E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____593_70_4 =  3.6E+02 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2552
Hvpx_____593_70_4 =  3.6E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____593_70_4 =  3.6E+02                                  ! [atm] type: V, ref: 642
Hvpx_____593_70_4 =  3.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____593_70_4 =  3.6E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____593_70_4 =  1.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____593_70_4 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____593_70_4 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____593_70_4 =  2.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____593_70_4 =  3.5E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____593_70_4 =  1.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____593_70_4 =  9.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____593_70_4 =  8.3E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____593_70_4 =  3.1E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____593_70_4 =  8.9E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____593_70_4 =  3.0E+02                                  ! [atm] type: Q, ref: 2550
Hvpx_____593_70_4 =  3.5E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____593_70_4 =  3.6E+02                                  ! [atm] type: ?, ref: 789

! species:  chlorodifluoromethane
! formula:  CHF_2Cl
! trivial:  R22
! casrn:    75-45-6
! inchikey: VOPWNXZWBYDODV-UHFFFAOYSA-N
Hvpx______75_45_6 =  1.5E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_45_6 =  1.7E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_45_6 =  1.5E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_45_6 =  1.7E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_45_6 =  1.6E+03 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_45_6 =  1.6E+03 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______75_45_6 =  1.9E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3564
Hvpx______75_45_6 =  1.6E+03 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 921
Hvpx______75_45_6 =  1.6E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx______75_45_6 =  1.6E+03 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______75_45_6 =  3.2E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2121
Hvpx______75_45_6 =  1.6E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2552
Hvpx______75_45_6 =  1.7E+03                                  ! [atm] type: V, ref: 2612
Hvpx______75_45_6 =  1.7E+03                                  ! [atm] type: V, ref: 635
Hvpx______75_45_6 =  1.7E+03 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: V, ref: 1014
Hvpx______75_45_6 =  1.6E+03                                  ! [atm] type: V, ref: 642
Hvpx______75_45_6 =  1.7E+03                                  ! [atm] type: V, ref: 2550
Hvpx______75_45_6 =  1.7E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_45_6 =  1.8E+03                                  ! [atm] type: Q, ref: 3728
Hvpx______75_45_6 =  1.6E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3570
Hvpx______75_45_6 =  3.8E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______75_45_6 =  1.4E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_45_6 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_45_6 =  5.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_45_6 =  1.5E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______75_45_6 =  9.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_45_6 =  2.8E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______75_45_6 =  1.6E+03                                  ! [atm] type: Q, ref: 2535
Hvpx______75_45_6 =  6.5E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______75_45_6 =  5.3E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______75_45_6 =  1.4E+03                                  ! [atm] type: Q, ref: 2482
Hvpx______75_45_6 =  1.6E+03                                  ! [atm] type: Q, ref: 2550
Hvpx______75_45_6 =  1.7E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______75_45_6 =  2.2E+03                                  ! [atm] type: ?, ref: 3614
Hvpx______75_45_6 =  1.7E+03                                  ! [atm] type: ?, ref: 789

! species:  dichlorofluoromethane
! formula:  CHFCl_2
! trivial:  R21
! casrn:    75-43-4
! inchikey: UMNKXPULIDJLSU-UHFFFAOYSA-N
Hvpx______75_43_4 =  6.0E+02                                  ! [atm] type: V, ref: 3088
Hvpx______75_43_4 =  3.0E+02                                  ! [atm] type: V, ref: 635
Hvpx______75_43_4 =  8.0E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______75_43_4 =  3.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_43_4 =  9.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______75_43_4 =  5.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______75_43_4 =  3.5E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______75_43_4 =  7.6E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______75_43_4 =  2.9E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______75_43_4 =  1.5E+04                                  ! [atm] type: ?, ref: 635
Hvpx______75_43_4 =  2.9E+02                                  ! [atm] type: ?, ref: 789

! species:  chlorotrifluoromethane
! formula:  CF_3Cl
! trivial:  R13
! casrn:    75-72-9
! inchikey: AFYPFACVUDMOHA-UHFFFAOYSA-N
Hvpx______75_72_9 =  5.5E+04 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_72_9 =  6.8E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_72_9 =  5.5E+04 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_72_9 =  6.8E+04 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_72_9 =  5.5E+04 * EXP(  -1700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_72_9 =  5.8E+04 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______75_72_9 =  6.2E+04 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______75_72_9 =  6.1E+04 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3569
Hvpx______75_72_9 =  6.1E+04 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2485
Hvpx______75_72_9 =  7.0E+04                                  ! [atm] type: M, ref: 2486
Hvpx______75_72_9 =  3.8E+03                                  ! [atm] type: V, ref: 635
Hvpx______75_72_9 =  9.6E+04                                  ! [atm] type: V, ref: 642
Hvpx______75_72_9 =  6.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_72_9 =  7.6E+04                                  ! [atm] type: C, ref: 2521
Hvpx______75_72_9 =  9.7E+04                                  ! [atm] type: C, ref: 2550
Hvpx______75_72_9 =  6.6E+04                                  ! [atm] type: Q, ref: 3728
Hvpx______75_72_9 =  8.6E+04                                  ! [atm] type: Q, ref: 3730
Hvpx______75_72_9 =  1.4E+04                                  ! [atm] type: Q, ref: 3586
Hvpx______75_72_9 =  2.4E+04                                  ! [atm] type: Q, ref: 3406
Hvpx______75_72_9 =  8.0E+04                                  ! [atm] type: Q, ref: 3579
Hvpx______75_72_9 =  2.1E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______75_72_9 =  2.5E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______75_72_9 =  7.1E+04                                  ! [atm] type: Q, ref: 2535
Hvpx______75_72_9 =  8.2E+05                                  ! [atm] type: Q, ref: 3764
Hvpx______75_72_9 =  3.9E+04                                  ! [atm] type: Q, ref: 2482
Hvpx______75_72_9 =  1.1E+05                                  ! [atm] type: Q, ref: 2550
Hvpx______75_72_9 =  7.6E+04                                  ! [atm] type: ?, ref: 3586
Hvpx______75_72_9 =  6.2E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______75_72_9 =  6.2E+04                                  ! [atm] type: ?, ref: 789

! species:  dichlorodifluoromethane
! formula:  CF_2Cl_2
! trivial:  R12
! casrn:    75-71-8
! inchikey: PXBRQCKWGAHEHS-UHFFFAOYSA-N
Hvpx______75_71_8 =  1.8E+04 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_71_8 =  2.1E+04 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_71_8 =  1.8E+04 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_71_8 =  2.1E+04 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_71_8 =  1.8E+04 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_71_8 =  1.8E+04 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx______75_71_8 =  1.8E+04 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_71_8 =  1.8E+04 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______75_71_8 =  1.8E+04 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______75_71_8 =  2.6E+04 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______75_71_8 =  4.3E+03 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______75_71_8 =  1.8E+04 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______75_71_8 =  1.9E+04 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3569
Hvpx______75_71_8 =  1.9E+04 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2485
Hvpx______75_71_8 =  1.8E+04 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2243
Hvpx______75_71_8 =  1.9E+04 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2240
Hvpx______75_71_8 =  2.3E+04 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2830
Hvpx______75_71_8 =  1.9E+04                                  ! [atm] type: M, ref: 2486
Hvpx______75_71_8 =  2.2E+04                                  ! [atm] type: M, ref: 544
Hvpx______75_71_8 =  2.2E+04                                  ! [atm] type: V, ref: 2612
Hvpx______75_71_8 =  2.2E+04                                  ! [atm] type: V, ref: 635
Hvpx______75_71_8 =  2.4E+04                                  ! [atm] type: V, ref: 479
Hvpx______75_71_8 =  2.4E+04                                  ! [atm] type: V, ref: 642
Hvpx______75_71_8 =  2.2E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_71_8 =  1.6E+05 * EXP(    210.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______75_71_8 =  1.5E+04                                  ! [atm] type: C, ref: 2521
Hvpx______75_71_8 =  8.5E+04                                  ! [atm] type: C, ref: 2235
Hvpx______75_71_8 =  2.4E+04                                  ! [atm] type: C, ref: 2550
Hvpx______75_71_8 =  2.3E+04                                  ! [atm] type: Q, ref: 3728
Hvpx______75_71_8 =  2.8E+04                                  ! [atm] type: Q, ref: 3730
Hvpx______75_71_8 =  5.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx______75_71_8 =  2.0E+04 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3570
Hvpx______75_71_8 =  4.7E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______75_71_8 =  2.3E+04                                  ! [atm] type: Q, ref: 3579
Hvpx______75_71_8 =  1.0E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______75_71_8 =  7.0E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______75_71_8 =  2.2E+04                                  ! [atm] type: Q, ref: 2535
Hvpx______75_71_8 =  4.8E+04                                  ! [atm] type: Q, ref: 3764
Hvpx______75_71_8 =  1.2E+04                                  ! [atm] type: Q, ref: 2482
Hvpx______75_71_8 =  2.8E+04                                  ! [atm] type: Q, ref: 2550
Hvpx______75_71_8 =  1.9E+04                                  ! [atm] type: ?, ref: 3586
Hvpx______75_71_8 =  2.2E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______75_71_8 =  2.4E+04                                  ! [atm] type: ?, ref: 3614
Hvpx______75_71_8 =  2.2E+04                                  ! [atm] type: ?, ref: 789

! species:  trichlorofluoromethane
! formula:  CFCl_3
! trivial:  R11
! casrn:    75-69-4
! inchikey: CYRMSUTZVYGINF-UHFFFAOYSA-N
Hvpx______75_69_4 =  5.2E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_69_4 =  7.5E+03 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_69_4 =  5.2E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_69_4 =  7.5E+03 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_69_4 =  5.2E+03 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_69_4 =  5.0E+03 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx______75_69_4 =  5.2E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_69_4 =  5.2E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______75_69_4 =  5.2E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______75_69_4 =  5.2E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______75_69_4 =  1.9E+03 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______75_69_4 =  9.1E+03 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3564
Hvpx______75_69_4 =  5.4E+03 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx______75_69_4 =  3.7E+03 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______75_69_4 =  5.6E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______75_69_4 =  5.3E+03 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2240
Hvpx______75_69_4 =  7.0E+03 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2830
Hvpx______75_69_4 =  4.9E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 608
Hvpx______75_69_4 =  5.0E+03                                  ! [atm] type: M, ref: 2486
Hvpx______75_69_4 =  3.2E+03                                  ! [atm] type: M, ref: 2900
Hvpx______75_69_4 =  5.0E+03 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2952
Hvpx______75_69_4 =  4.4E+04                                  ! [atm] type: M, ref: 544
Hvpx______75_69_4 =  7.0E+03                                  ! [atm] type: V, ref: 2612
Hvpx______75_69_4 =  5.5E+03 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx______75_69_4 =  7.0E+03                                  ! [atm] type: V, ref: 635
Hvpx______75_69_4 =  6.1E+03                                  ! [atm] type: V, ref: 2971
Hvpx______75_69_4 =  6.0E+03                                  ! [atm] type: V, ref: 479
Hvpx______75_69_4 =  5.8E+03                                  ! [atm] type: V, ref: 2900
Hvpx______75_69_4 =  5.6E+03                                  ! [atm] type: V, ref: 2550
Hvpx______75_69_4 =  6.8E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_69_4 =  3.2E+03 * EXP(   -730.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______75_69_4 =  5.4E+03                                  ! [atm] type: C, ref: 2521
Hvpx______75_69_4 =  3.2E+03                                  ! [atm] type: C, ref: 2235
Hvpx______75_69_4 =  3.2E+03                                  ! [atm] type: C, ref: 3083
Hvpx______75_69_4 =  6.8E+03                                  ! [atm] type: C, ref: 563
Hvpx______75_69_4 =  5.8E+03                                  ! [atm] type: Q, ref: 3728
Hvpx______75_69_4 =  9.3E+03                                  ! [atm] type: Q, ref: 3730
Hvpx______75_69_4 =  2.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx______75_69_4 =  8.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______75_69_4 =  6.5E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______75_69_4 =  3.2E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______75_69_4 =  2.2E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______75_69_4 =  5.1E+03                                  ! [atm] type: Q, ref: 2535
Hvpx______75_69_4 =  6.3E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______75_69_4 =  6.4E+03                                  ! [atm] type: Q, ref: 2550
Hvpx______75_69_4 =  5.4E+03                                  ! [atm] type: ?, ref: 3586
Hvpx______75_69_4 =  5.6E+03                                  ! [atm] type: ?, ref: 2612
Hvpx______75_69_4 =  6.7E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______75_69_4 =  6.6E+03                                  ! [atm] type: ?, ref: 3614
Hvpx______75_69_4 =  5.6E+03                                  ! [atm] type: ?, ref: 635
Hvpx______75_69_4 =  6.8E+03                                  ! [atm] type: ?, ref: 789

! species:  1,1,1,2-tetrachlorodifluoroethane
! formula:  C_2Cl_4F_2
! trivial:  
! casrn:    76-11-9
! inchikey: SLGOCMATMKJJCE-UHFFFAOYSA-N
Hvpx______76_11_9 =  8.9E+03                                  ! [atm] type: V, ref: 3586
Hvpx______76_11_9 =  8.9E+03                                  ! [atm] type: V, ref: 3088
Hvpx______76_11_9 =  7.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______76_11_9 =  1.1E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______76_11_9 =  1.9E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______76_11_9 =  2.2E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______76_11_9 =  1.7E+04                                  ! [atm] type: Q, ref: 3764

! species:  1,1,2,2-tetrachlorodifluoroethane
! formula:  C_2F_2Cl_4
! trivial:  R112
! casrn:    76-12-0
! inchikey: UGCSPKPEHQEOSR-UHFFFAOYSA-N
Hvpx______76_12_0 =  6.1E+03                                  ! [atm] type: V, ref: 3088
Hvpx______76_12_0 =  5.4E+03                                  ! [atm] type: V, ref: 642
Hvpx______76_12_0 =  6.9E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______76_12_0 =  2.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______76_12_0 =  7.7E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______76_12_0 =  1.1E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______76_12_0 =  1.7E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______76_12_0 =  4.8E+03                                  ! [atm] type: Q, ref: 3731
Hvpx______76_12_0 =  6.9E+03                                  ! [atm] type: ?, ref: 2440

! species:  1,1,1-trichloro-2,2,2-trifluoroethane
! formula:  C_2F_3Cl_3
! trivial:  R113a
! casrn:    354-58-5
! inchikey: BOSAWIQFTJIYIS-UHFFFAOYSA-N
Hvpx_____354_58_5 =  1.5E+04                                  ! [atm] type: Q, ref: 3088
Hvpx_____354_58_5 =  1.5E+04                                  ! [atm] type: Q, ref: 2995
Hvpx_____354_58_5 =  2.6E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____354_58_5 =  9.4E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____354_58_5 =  1.8E+04                                  ! [atm] type: Q, ref: 2995

! species:  1,1,2-trichloro-1,2,2-trifluoroethane
! formula:  C_2F_3Cl_3
! trivial:  R113
! casrn:    76-13-1
! inchikey: AJDIZQLSFPQPEY-UHFFFAOYSA-N
Hvpx______76_13_1 =  1.6E+04 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______76_13_1 =  1.6E+04 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______76_13_1 =  1.9E+04 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______76_13_1 =  2.7E+03 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______76_13_1 =  1.9E+04 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1107
Hvpx______76_13_1 =  1.9E+04 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1775
Hvpx______76_13_1 =  1.9E+04 * EXP(  -6500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______76_13_1 =  1.6E+04 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx______76_13_1 =  2.9E+04                                  ! [atm] type: V, ref: 3088
Hvpx______76_13_1 =  6.2E+04                                  ! [atm] type: V, ref: 635
Hvpx______76_13_1 =  2.7E+04                                  ! [atm] type: V, ref: 642
Hvpx______76_13_1 =  2.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______76_13_1 =  7.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______76_13_1 =  2.2E+04                                  ! [atm] type: Q, ref: 3579
Hvpx______76_13_1 =  3.0E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______76_13_1 =  4.9E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______76_13_1 =  1.8E+04                                  ! [atm] type: ?, ref: 2612
Hvpx______76_13_1 =  2.7E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______76_13_1 =  1.8E+04                                  ! [atm] type: ?, ref: 635
Hvpx______76_13_1 =  2.7E+04                                  ! [atm] type: ?, ref: 789
Hvpx______76_13_1 =  2.7E+04                                  ! [atm] type: ?, ref: 1500

! species:  1,1-dichlorotetrafluoroethane
! formula:  C_2F_4Cl_2
! trivial:  R114a
! casrn:    374-07-2
! inchikey: BAMUEXIPKSRTBS-UHFFFAOYSA-N
Hvpx_____374_07_2 =  6.6E+04                                  ! [atm] type: V, ref: 3088
Hvpx_____374_07_2 =  9.4E+04                                  ! [atm] type: V, ref: 642
Hvpx_____374_07_2 =  7.3E+04                                  ! [atm] type: C, ref: 2521
Hvpx_____374_07_2 =  9.5E+04                                  ! [atm] type: C, ref: 2550
Hvpx_____374_07_2 =  6.2E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____374_07_2 =  8.3E+04                                  ! [atm] type: Q, ref: 2550

! species:  1,2-dichlorotetrafluoroethane
! formula:  C_2F_4Cl_2
! trivial:  R114
! casrn:    76-14-2
! inchikey: DDMOUSALMHHKOS-UHFFFAOYSA-N
Hvpx______76_14_2 =  6.1E+04 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______76_14_2 =  6.9E+04                                  ! [atm] type: V, ref: 635
Hvpx______76_14_2 =  6.8E+04                                  ! [atm] type: V, ref: 642
Hvpx______76_14_2 =  6.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______76_14_2 =  6.8E+04                                  ! [atm] type: C, ref: 2550
Hvpx______76_14_2 =  7.7E+02                                  ! [atm] type: Q, ref: 3728
Hvpx______76_14_2 =  3.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx______76_14_2 =  6.8E+04                                  ! [atm] type: Q, ref: 3579
Hvpx______76_14_2 =  6.5E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______76_14_2 =  2.0E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______76_14_2 =  5.1E+03                                  ! [atm] type: Q, ref: 3731
Hvpx______76_14_2 =  8.3E+04                                  ! [atm] type: Q, ref: 2550
Hvpx______76_14_2 =  6.7E+04                                  ! [atm] type: ?, ref: 2440
Hvpx______76_14_2 =  6.9E+04                                  ! [atm] type: ?, ref: 3614
Hvpx______76_14_2 =  6.7E+04                                  ! [atm] type: ?, ref: 789

! species:  chloropentafluoroethane
! formula:  C_2F_5Cl
! trivial:  R115
! casrn:    76-15-3
! inchikey: RFCAUADVODFSLZ-UHFFFAOYSA-N
Hvpx______76_15_3 =  1.6E+05 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______76_15_3 =  1.8E+05 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______76_15_3 =  3.1E+05                                  ! [atm] type: V, ref: 3586
Hvpx______76_15_3 =  3.1E+05                                  ! [atm] type: V, ref: 3088
Hvpx______76_15_3 =  1.4E+05                                  ! [atm] type: V, ref: 635
Hvpx______76_15_3 =  1.5E+05                                  ! [atm] type: V, ref: 1145
Hvpx______76_15_3 =  1.7E+05                                  ! [atm] type: V, ref: 642
Hvpx______76_15_3 =  1.4E+05                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______76_15_3 =  1.7E+05                                  ! [atm] type: C, ref: 2550
Hvpx______76_15_3 =  1.8E+05                                  ! [atm] type: Q, ref: 3728
Hvpx______76_15_3 =  8.4E+03                                  ! [atm] type: Q, ref: 3586
Hvpx______76_15_3 =  1.1E+04                                  ! [atm] type: Q, ref: 3406
Hvpx______76_15_3 =  2.1E+05                                  ! [atm] type: Q, ref: 3579
Hvpx______76_15_3 =  1.6E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______76_15_3 =  7.2E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______76_15_3 =  2.3E+04                                  ! [atm] type: Q, ref: 3731
Hvpx______76_15_3 =  4.7E+05                                  ! [atm] type: Q, ref: 1145
Hvpx______76_15_3 =  2.6E+05                                  ! [atm] type: Q, ref: 2550
Hvpx______76_15_3 =  1.4E+05                                  ! [atm] type: ?, ref: 2440
Hvpx______76_15_3 =  1.4E+05                                  ! [atm] type: ?, ref: 789

! species:  1,1,2,2-tetrachloro-1-fluoroethane
! formula:  C_2HCl_4F
! trivial:  
! casrn:    354-14-3
! inchikey: LUBCGHUOCJOIJA-UHFFFAOYSA-N
Hvpx_____354_14_3 =  1.7E+02                                  ! [atm] type: Q, ref: 3088

! species:  1,1-dichloro-1,2,2-trifluoroethane
! formula:  C_2HCl_2F_3
! trivial:  
! casrn:    812-04-4
! inchikey: AFTSHZRGGNMLHC-UHFFFAOYSA-N
Hvpx_____812_04_4 =  5.3E+03                                  ! [atm] type: Q, ref: 3088

! species:  1,2-dichloro-1,1,2-trifluoroethane
! formula:  C_2HCl_2F_3
! trivial:  
! casrn:    354-23-4
! inchikey: YMRMDGSNYHCUCL-UHFFFAOYSA-N
Hvpx_____354_23_4 =  5.3E+03                                  ! [atm] type: Q, ref: 3088

! species:  2,2-dichloro-1,1,1-trifluoroethane
! formula:  C_2HF_3Cl_2
! trivial:  R123
! casrn:    306-83-2
! inchikey: OHMHBGPWCHTMQE-UHFFFAOYSA-N
Hvpx_____306_83_2 =  2.4E+03 * EXP(  -2400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2939
Hvpx_____306_83_2 =  1.7E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2121
Hvpx_____306_83_2 =  1.9E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: V, ref: 1014
Hvpx_____306_83_2 =  1.1E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____306_83_2 =  3.0E+03                                  ! [atm] type: Q, ref: 2530

! species:  1-chloro-1,1,2,2-tetrafluoroethane
! formula:  C_2HClF_4
! trivial:  
! casrn:    354-25-6
! inchikey: JQZFYIGAYWLRCC-UHFFFAOYSA-N
Hvpx_____354_25_6 =  3.0E+04                                  ! [atm] type: Q, ref: 3088

! species:  1-chloro-1,2,2,2-tetrafluoroethane
! formula:  C_2HF_4Cl
! trivial:  R124
! casrn:    2837-89-0
! inchikey: BOUGCJDAQLKBQH-UHFFFAOYSA-N
Hvpx____2837_89_0 =  5.1E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2939
Hvpx____2837_89_0 =  5.3E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx____2837_89_0 =  5.0E+03 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx____2837_89_0 =  5.0E+03                                  ! [atm] type: V, ref: 3586
Hvpx____2837_89_0 =  5.3E+03 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: V, ref: 1014
Hvpx____2837_89_0 =  4.6E+03                                  ! [atm] type: Q, ref: 3728
Hvpx____2837_89_0 =  4.1E+02                                  ! [atm] type: Q, ref: 3586

! species:  1,2-dichloro-1,1-difluoroethane
! formula:  C_2H_2Cl_2F_2
! trivial:  
! casrn:    1649-08-7
! inchikey: SKDFWEPBABSFMG-UHFFFAOYSA-N
Hvpx____1649_08_7 =  3.9E+03                                  ! [atm] type: V, ref: 3586
Hvpx____1649_08_7 =  3.9E+03                                  ! [atm] type: V, ref: 3088
Hvpx____1649_08_7 =  4.8E+02                                  ! [atm] type: Q, ref: 3586

! species:  2-chloro-1,1,1-trifluoroethane
! formula:  C_2H_2F_3Cl
! trivial:  R133a
! casrn:    75-88-7
! inchikey: CYXIKYKBLDZZNW-UHFFFAOYSA-N
Hvpx______75_88_7 =  1.5E+03 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx______75_88_7 =  1.3E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______75_88_7 =  1.5E+03                                  ! [atm] type: V, ref: 642
Hvpx______75_88_7 =  1.5E+03                                  ! [atm] type: C, ref: 2550
Hvpx______75_88_7 =  1.1E+03                                  ! [atm] type: Q, ref: 3728
Hvpx______75_88_7 =  1.5E+04                                  ! [atm] type: Q, ref: 3088
Hvpx______75_88_7 =  1.8E+03                                  ! [atm] type: Q, ref: 2521
Hvpx______75_88_7 =  1.2E+03                                  ! [atm] type: Q, ref: 2543
Hvpx______75_88_7 =  1.4E+03                                  ! [atm] type: Q, ref: 2482
Hvpx______75_88_7 =  1.9E+03                                  ! [atm] type: Q, ref: 2550
Hvpx______75_88_7 =  2.0E+03                                  ! [atm] type: ?, ref: 3614

! species:  1,1-dichloro-1-fluoroethane
! formula:  CH_3CFCl_2
! trivial:  R141b
! casrn:    1717-00-6
! inchikey: FRCHKSNAZZFGCA-UHFFFAOYSA-N
Hvpx____1717_00_6 =  1.9E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2939
Hvpx____1717_00_6 =  1.9E+03 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx____1717_00_6 =  1.2E+03                                  ! [atm] type: V, ref: 3586
Hvpx____1717_00_6 =  1.2E+03                                  ! [atm] type: V, ref: 3088
Hvpx____1717_00_6 =  7.1E+03 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: V, ref: 1014
Hvpx____1717_00_6 =  1.9E+03                                  ! [atm] type: Q, ref: 3728
Hvpx____1717_00_6 =  8.1E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____1717_00_6 =  1.9E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3570

! species:  1-chloro-1,1-difluoroethane
! formula:  CH_3CF_2Cl
! trivial:  R142b
! casrn:    75-68-3
! inchikey: BHNZEZWIUMJCGF-UHFFFAOYSA-N
Hvpx______75_68_3 =  3.7E+03 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2939
Hvpx______75_68_3 =  3.9E+03 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx______75_68_3 =  3.8E+03 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx______75_68_3 =  3.7E+03 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2121
Hvpx______75_68_3 =  4.0E+03 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: V, ref: 1014
Hvpx______75_68_3 =  2.9E+03                                  ! [atm] type: C, ref: 2550
Hvpx______75_68_3 =  3.4E+03                                  ! [atm] type: Q, ref: 3728
Hvpx______75_68_3 =  3.9E+03 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3570
Hvpx______75_68_3 =  3.6E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______75_68_3 =  6.5E+03                                  ! [atm] type: Q, ref: 2535
Hvpx______75_68_3 =  3.6E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______75_68_3 =  3.8E+03                                  ! [atm] type: Q, ref: 2550

! species:  1-chloro-1,2-difluoroethane
! formula:  C_2H_3ClF_2
! trivial:  
! casrn:    338-64-7
! inchikey: UOVSDUIHNGNMBZ-UHFFFAOYSA-N

! species:  1-chloro-1,1,2-trifluoroethane
! formula:  C_2H_2F_3Cl
! trivial:  R133b
! casrn:    421-04-5
! inchikey: HILNUELUDBMBJQ-UHFFFAOYSA-N

! species:  2-chloro-1,1-difluoroethene
! formula:  C_2HClF_2
! trivial:  R1122
! casrn:    359-10-4
! inchikey: HTHNTJCVPNKCPZ-UHFFFAOYSA-N
Hvpx_____359_10_4 =  3.3E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 923
Hvpx_____359_10_4 =  3.2E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2013
Hvpx_____359_10_4 =  2.9E+03                                  ! [atm] type: Q, ref: 3728
Hvpx_____359_10_4 =  4.8E+03                                  ! [atm] type: ?, ref: 3614

! species:  chlorotrifluoroethene
! formula:  C_2ClF_3
! trivial:  
! casrn:    79-38-9
! inchikey: UUAGAQFQZIEFAH-UHFFFAOYSA-N
Hvpx______79_38_9 =  1.7E+04                                  ! [atm] type: Q, ref: 3088

! species:  3,3-dichloro-1,1,1,2,2-pentafluoropropane
! formula:  CF_3CF_2CHCl_2
! trivial:  R225ca
! casrn:    422-56-0
! inchikey: COAUHYBSXMIJDK-UHFFFAOYSA-N
Hvpx_____422_56_0 =  5.6E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2939
Hvpx_____422_56_0 =  3.6E+04                                  ! [atm] type: Q, ref: 3730
Hvpx_____422_56_0 =  6.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____422_56_0 =  6.1E+03                                  ! [atm] type: Q, ref: 3088
Hvpx_____422_56_0 =  2.8E+04                                  ! [atm] type: Q, ref: 2995
Hvpx_____422_56_0 =  1.8E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____422_56_0 =  4.8E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____422_56_0 =  1.4E+04                                  ! [atm] type: Q, ref: 2995
Hvpx_____422_56_0 =  2.8E+04                                  ! [atm] type: ?, ref: 3586

! species:  1,3-dichloro-1,1,2,2,3-pentafluoro-propane
! formula:  CClF_2CF_2CHClF
! trivial:  R225cb
! casrn:    507-55-1
! inchikey: UJIGKESMIPTWJH-UHFFFAOYSA-N
Hvpx_____507_55_1 =  5.1E+03 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2939
Hvpx_____507_55_1 =  1.5E+05                                  ! [atm] type: Q, ref: 3088

! species:  1-chloro-2-fluorobenzene
! formula:  C_6H_4ClF
! trivial:  
! casrn:    348-51-6
! inchikey: ZCJAYDKWZAWMPR-UHFFFAOYSA-N
Hvpx_____348_51_6 =  1.8E+02                                  ! [atm] type: ?, ref: 3766

! species:  1-chloro-3-fluorobenzene
! formula:  C_6H_4ClF
! trivial:  
! casrn:    625-98-9
! inchikey: VZHJIJZEOCBKRA-UHFFFAOYSA-N
Hvpx_____625_98_9 =  3.3E+02                                  ! [atm] type: ?, ref: 3766

! species:  1-chloro-3-(trifluoromethyl)benzene
! formula:  C_7H_4ClF_3
! trivial:  
! casrn:    98-15-7
! inchikey: YTCGOUNVIAWCMG-UHFFFAOYSA-N
Hvpx______98_15_7 =  1.9E+03                                  ! [atm] type: Q, ref: 2995
Hvpx______98_15_7 =  2.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_15_7 =  3.8E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_15_7 =  4.0E+03                                  ! [atm] type: Q, ref: 2995

! species:  1-chloro-4-(trifluoromethyl)benzene
! formula:  C_7H_4ClF_3
! trivial:  
! casrn:    98-56-6
! inchikey: QULYNCCPRWKEMF-UHFFFAOYSA-N
Hvpx______98_56_6 =  1.9E+03                                  ! [atm] type: Q, ref: 3088
Hvpx______98_56_6 =  1.9E+03                                  ! [atm] type: Q, ref: 2995
Hvpx______98_56_6 =  1.7E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_56_6 =  3.7E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_56_6 =  4.0E+03                                  ! [atm] type: Q, ref: 2995

! species:  3-chloro-4-fluorobenzotrifluoride
! formula:  C_7H_3ClF_4
! trivial:  
! casrn:    78068-85-6
! inchikey: BKHVEYHSOXVAOP-UHFFFAOYSA-N
Hvpx___78068_85_6 =  2.2E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___78068_85_6 =  2.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___78068_85_6 =  6.3E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___78068_85_6 =  4.9E+03                                  ! [atm] type: Q, ref: 2995

! species:  3,4-dichlorobenzotrifluoride
! formula:  C_7H_3Cl_2F_3
! trivial:  
! casrn:    328-84-7
! inchikey: XILPLWOGHPSJBK-UHFFFAOYSA-N
Hvpx_____328_84_7 =  1.4E+03                                  ! [atm] type: Q, ref: 3088
Hvpx_____328_84_7 =  1.4E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____328_84_7 =  1.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____328_84_7 =  2.8E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____328_84_7 =  2.4E+03                                  ! [atm] type: Q, ref: 2995

! species:  chlorodifluoroethanoic acid
! formula:  CF_2ClCOOH
! trivial:  chlorodifluoroacetic acid
! casrn:    76-04-0
! inchikey: OAWAZQITIZDJRB-UHFFFAOYSA-N
Hvpx______76_04_0 =  2.2E-03 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______76_04_0 =  2.2E-03 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______76_04_0 =  2.2E-03 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______76_04_0 =  2.3E-03 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 896
Hvpx______76_04_0 =  9.8E-04                                  ! [atm] type: Q, ref: 3730
Hvpx______76_04_0 =  1.2E-02                                  ! [atm] type: Q, ref: 3586
Hvpx______76_04_0 =  5.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______76_04_0 =  1.1E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______76_04_0 =  4.4E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______76_04_0 =  2.3E-03                                  ! [atm] type: ?, ref: 3586

! species:  carbonic chloride fluoride
! formula:  COFCl
! trivial:  
! casrn:    353-49-1
! inchikey: OXVVNXMNLYYMOL-UHFFFAOYSA-N
Hvpx_____353_49_1 =  5.5E+00                                  ! [atm] type: X, ref: george93

! species:  trifluoroacetylchloride
! formula:  CF_3COCl
! trivial:  
! casrn:    354-32-5
! inchikey: PNQBEPDZQUOCNY-UHFFFAOYSA-N
Hvpx_____354_32_5 =  2.8E+01                                  ! [atm] type: M, ref: 671
Hvpx_____354_32_5 =  2.0E+02                                  ! [atm] type: M, ref: 1125
Hvpx_____354_32_5 =  2.8E+01                                  ! [atm] type: M, ref: 1127
Hvpx_____354_32_5 =  4.6E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____354_32_5 =  5.9E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____354_32_5 =  2.5E+01                                  ! [atm] type: ?, ref: 3586

! species:  2,2-dichloro-1,1-difluoro-1-methoxyethane
! formula:  C_3H_4Cl_2F_2O
! trivial:  methoxyflurane
! casrn:    76-38-0
! inchikey: RFKMCNOHBTXSMU-UHFFFAOYSA-N
Hvpx______76_38_0 =  1.9E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______76_38_0 =  3.1E+02                                  ! [atm] type: L, ref: 2441
Hvpx______76_38_0 =  1.8E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx______76_38_0 =  3.3E+02                                  ! [atm] type: M, ref: 2444
Hvpx______76_38_0 =  1.9E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2445
Hvpx______76_38_0 =  3.0E+02                                  ! [atm] type: M, ref: 2467
Hvpx______76_38_0 =  1.9E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______76_38_0 =  3.2E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______76_38_0 =  1.3E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______76_38_0 =  3.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______76_38_0 =  2.0E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______76_38_0 =  2.0E+02                                  ! [atm] type: ?, ref: 3088
Hvpx______76_38_0 =  3.2E+02                                  ! [atm] type: ?, ref: 3614
Hvpx______76_38_0 =  2.0E+02                                  ! [atm] type: ?, ref: 1500

! species:  2-(chlorodifluoromethoxy)-1,1,1-trifluoroethane
! formula:  C_3H_2ClF_5O
! trivial:  
! casrn:    33018-78-9
! inchikey: HPDPVPUXPBZBOJ-UHFFFAOYSA-N
Hvpx___33018_78_9 =  3.2E+04                                  ! [atm] type: ?, ref: 3766

! species:  2-(chlorofluoromethoxy)-1,1,1,2-tetrafluoroethane
! formula:  C_3H_2ClF_5O
! trivial:  
! casrn:    56885-28-0
! inchikey: GGEBMRHBGQLKGJ-UHFFFAOYSA-N
Hvpx___56885_28_0 =  2.5E+03                                  ! [atm] type: ?, ref: 3766

! species:  1-chloro-2,2,2-trifluoroethyl difluoromethyl ether
! formula:  C_3H_2ClF_5O
! trivial:  forane; isoflurane
! casrn:    26675-46-7
! inchikey: PIWKPBJCKXDKJR-UHFFFAOYSA-N
Hvpx___26675_46_7 =  2.3E+03                                  ! [atm] type: L, ref: 1943
Hvpx___26675_46_7 =  2.3E+03                                  ! [atm] type: L, ref: 2441
Hvpx___26675_46_7 =  2.3E+03                                  ! [atm] type: L, ref: 3696
Hvpx___26675_46_7 =  2.2E+03                                  ! [atm] type: M, ref: 2444
Hvpx___26675_46_7 =  1.1E+03 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2445
Hvpx___26675_46_7 =  9.6E+02                                  ! [atm] type: Q, ref: 3730
Hvpx___26675_46_7 =  4.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx___26675_46_7 =  1.3E+03                                  ! [atm] type: Q, ref: 2521
Hvpx___26675_46_7 =  4.6E+02                                  ! [atm] type: Q, ref: 2530
Hvpx___26675_46_7 =  1.4E+03                                  ! [atm] type: Q, ref: 3780
Hvpx___26675_46_7 =  1.6E+03                                  ! [atm] type: ?, ref: 3586
Hvpx___26675_46_7 =  1.6E+03                                  ! [atm] type: ?, ref: 3088
Hvpx___26675_46_7 =  2.2E+03                                  ! [atm] type: ?, ref: 3614
Hvpx___26675_46_7 =  1.6E+03                                  ! [atm] type: ?, ref: 1500

! species:  2-chloro-1,1,2-trifluoroethyl difluoromethyl ether
! formula:  C_3H_2ClF_5O
! trivial:  enflurane
! casrn:    13838-16-9
! inchikey: JPGQOUSTVILISH-UHFFFAOYSA-N
Hvpx___13838_16_9 =  1.8E+03                                  ! [atm] type: L, ref: 1943
Hvpx___13838_16_9 =  1.8E+03                                  ! [atm] type: L, ref: 3696
Hvpx___13838_16_9 =  2.0E+03                                  ! [atm] type: M, ref: 2924
Hvpx___13838_16_9 =  1.9E+03                                  ! [atm] type: M, ref: 2444
Hvpx___13838_16_9 =  4.2E+02                                  ! [atm] type: V, ref: 3088
Hvpx___13838_16_9 =  1.8E+03                                  ! [atm] type: C, ref: 2441
Hvpx___13838_16_9 =  8.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx___13838_16_9 =  1.7E+03                                  ! [atm] type: ?, ref: 3614

! species:  3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid
! formula:  C_{14}H_8ClF_3O_3
! trivial:  
! casrn:    63734-62-3
! inchikey: ONKRUAQFUNKYAX-UHFFFAOYSA-N
Hvpx___63734_62_3 =  8.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___63734_62_3 =  1.7E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___63734_62_3 =  2.6E-06                                  ! [atm] type: Q, ref: 2995
Hvpx___63734_62_3 =  1.9E-04                                  ! [atm] type: Q, ref: 2995

! species:  3-(2-chloro-4-(trifluoromethyl)phenoxy)phenyl acetate
! formula:  C_{15}H_{10}ClF_3O_3
! trivial:  
! casrn:    50594-77-9
! inchikey: KNFRYRRZMRETJX-UHFFFAOYSA-N
Hvpx___50594_77_9 =  5.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___50594_77_9 =  2.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___50594_77_9 =  1.9E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___50594_77_9 =  1.5E-01                                  ! [atm] type: Q, ref: 2995

! species:  transfluthrin
! formula:  C_{15}H_{12}Cl_2F_4O_2
! trivial:  
! casrn:    118712-89-3
! inchikey: DDVNRFNDOPPVQJ-HQJQHLMTSA-N
Hvpx__118712_89_3 =  2.5E+00                                  ! [atm] type: ?, ref: 3766

! species:  tefluthrin
! formula:  C_{17}H_{14}O_2ClF_7
! trivial:  
! casrn:    79538-32-2
! inchikey: ZFHGXWPMULPQSE-GPCIZFCYSA-N
Hvpx___79538_32_2 =  8.9E+01                                  ! [atm] type: V, ref: 3088
Hvpx___79538_32_2 =  1.1E+02                                  ! [atm] type: ?, ref: 3549

! species:  clobetasol
! formula:  C_{22}H_{28}ClFO_4
! trivial:  
! casrn:    25122-41-2
! inchikey: FCSHDIVRCWTZOX-DVTGEIKXSA-N
Hvpx___25122_41_2 =  8.9E-06                                  ! [atm] type: Q, ref: 3088

! species:  flufenprox
! formula:  C_{24}H_{22}ClF_3O_3
! trivial:  
! casrn:    107713-58-6
! inchikey: RURQAJURNPMSSK-UHFFFAOYSA-N
Hvpx__107713_58_6 =  2.6E-02                                  ! [atm] type: ?, ref: 3766

! species:  EINECS 273-236-7
! formula:  C_{28}H_{33}Cl_3F_6O_{11}
! trivial:  
! casrn:    68954-01-8
! inchikey: KVXVLCBFSKMBAR-UHFFFAOYSA-N
Hvpx___68954_01_8 =  3.6E-15                                  ! [atm] type: Q, ref: 2995
Hvpx___68954_01_8 =  8.0E-20                                  ! [atm] type: Q, ref: 2995
Hvpx___68954_01_8 =  2.4E-13                                  ! [atm] type: Q, ref: 2995
Hvpx___68954_01_8 =  3.3E-16                                  ! [atm] type: Q, ref: 2995

! species:  3,5-dichloro-2,4,6-trifluoropyridine
! formula:  C_5Cl_2F_3N
! trivial:  
! casrn:    1737-93-5
! inchikey: PKSORSNCSXBXOT-UHFFFAOYSA-N
Hvpx____1737_93_5 =  3.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1737_93_5 =  7.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____1737_93_5 =  3.5E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____1737_93_5 =  2.0E+01                                  ! [atm] type: Q, ref: 2995

! species:  chlorodifluoronitrooxymethane
! formula:  CClF_2OONO_2
! trivial:  
! casrn:    70490-95-8
! inchikey: HWHZTSGXJYKIPK-UHFFFAOYSA-N
Hvpx___70490_95_8 =  1.9E+01 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: E, ref: 498

! species:  1-chloro-2-nitro-4-(trifluoromethyl)-benzene
! formula:  C_7H_3ClF_3NO_2
! trivial:  
! casrn:    121-17-5
! inchikey: TZGFQIXRVUHDLE-UHFFFAOYSA-N
Hvpx_____121_17_5 =  7.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_17_5 =  4.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_17_5 =  4.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____121_17_5 =  5.3E+01                                  ! [atm] type: Q, ref: 2995

! species:  2-chloro-1,3-dinitro-5-(trifluoromethyl)-benzene
! formula:  C_7H_2ClF_3N_2O_4
! trivial:  
! casrn:    393-75-9
! inchikey: HFHAVERNVFNSHL-UHFFFAOYSA-N
Hvpx_____393_75_9 =  3.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____393_75_9 =  2.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____393_75_9 =  3.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____393_75_9 =  6.0E-01                                  ! [atm] type: Q, ref: 2995

! species:  fluroxypyr
! formula:  C_7H_5Cl_2FN_2O_3
! trivial:  
! casrn:    69377-81-7
! inchikey: MEFQWPUMEMWTJP-UHFFFAOYSA-N
Hvpx___69377_81_7 =  9.5E-07                                  ! [atm] type: V, ref: 3088
Hvpx___69377_81_7 =  9.2E-11                                  ! [atm] type: ?, ref: 3549

! species:  fluoroimide
! formula:  C_{10}H_4Cl_2FNO_2
! trivial:  
! casrn:    41205-21-4
! inchikey: IPENDKRRWFURRE-UHFFFAOYSA-N
Hvpx___41205_21_4 =  7.1E-01                                  ! [atm] type: ?, ref: 3766

! species:  norflurazon
! formula:  C_{12}H_9ClF_3N_3O
! trivial:  
! casrn:    27314-13-2
! inchikey: NVGOPFQZYCNLDU-UHFFFAOYSA-N
Hvpx___27314_13_2 =  1.9E-05                                  ! [atm] type: V, ref: 3586
Hvpx___27314_13_2 =  1.9E-05                                  ! [atm] type: V, ref: 3088
Hvpx___27314_13_2 =  1.0E-04                                  ! [atm] type: Q, ref: 3586

! species:  fluchloralin
! formula:  C_{12}H_{13}ClF_3N_3O_4
! trivial:  
! casrn:    33245-39-5
! inchikey: MNFMIVVPXOGUMX-UHFFFAOYSA-N
Hvpx___33245_39_5 =  8.3E-01                                  ! [atm] type: V, ref: 3088
Hvpx___33245_39_5 =  7.3E-01                                  ! [atm] type: V, ref: 2614

! species:  flurochloridone
! formula:  C_{12}H_{10}Cl_2F_3NO
! trivial:  
! casrn:    61213-25-0
! inchikey: OQZCSNDVOWYALR-UHFFFAOYSA-N
Hvpx___61213_25_0 =  2.1E-03                                  ! [atm] type: V, ref: 3586
Hvpx___61213_25_0 =  6.7E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___61213_25_0 =  1.3E-03                                  ! [atm] type: ?, ref: 3549

! species:  flupyradifurone
! formula:  C_{12}H_{11}ClF_2N_2O_2
! trivial:  
! casrn:    951659-40-8
! inchikey: QOIYTRGFOFZNKF-UHFFFAOYSA-N
Hvpx__951659_40_8 =  8.4E-08                                  ! [atm] type: ?, ref: 3766

! species:  fluxofenim
! formula:  C_{12}H_{11}NO_3ClF_3
! trivial:  
! casrn:    88485-37-4
! inchikey: UKSLKNUCVPZQCQ-GZTJUZNOSA-N
Hvpx___88485_37_4 =  2.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx___88485_37_4 =  9.4E-04                                  ! [atm] type: Q, ref: 3586

! species:  fluazinam
! formula:  C_{13}H_4Cl_2F_6N_4O_4
! trivial:  
! casrn:    79622-59-6
! inchikey: UZCGKGPEKUCDTF-UHFFFAOYSA-N
Hvpx___79622_59_6 =  1.4E+01                                  ! [atm] type: V, ref: 3088
Hvpx___79622_59_6 =  1.4E+01                                  ! [atm] type: ?, ref: 3549

! species:  5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenol
! formula:  C_{13}H_7ClF_3NO_4
! trivial:  
! casrn:    42874-63-5
! inchikey: WYTRKEWETULQOA-UHFFFAOYSA-N
Hvpx___42874_63_5 =  5.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___42874_63_5 =  5.0E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___42874_63_5 =  2.4E-07                                  ! [atm] type: Q, ref: 2995
Hvpx___42874_63_5 =  2.4E-02                                  ! [atm] type: Q, ref: 2995

! species:  florpyrauxifen
! formula:  C_{13}H_8Cl_2F_2N_2O_3
! trivial:  
! casrn:    943832-81-3
! inchikey: XFZUQTKDBCOXPP-UHFFFAOYSA-N
Hvpx__943832_81_3 =  1.7E-08                                  ! [atm] type: ?, ref: 3766

! species:  tetraconazole
! formula:  C_{13}H_{11}Cl_2F_4N_3O
! trivial:  
! casrn:    112281-77-3
! inchikey: LQDARGUHUSPFNL-UHFFFAOYSA-N
Hvpx__112281_77_3 =  2.3E-04                                  ! [atm] type: V, ref: 3088
Hvpx__112281_77_3 =  2.0E-04                                  ! [atm] type: ?, ref: 3549

! species:  fluopicolide
! formula:  C_{14}H_8Cl_3F_3N_2O
! trivial:  
! casrn:    239110-15-7
! inchikey: GBOYJIHYACSLGN-UHFFFAOYSA-N
Hvpx__239110_15_7 =  6.1E-05                                  ! [atm] type: V, ref: 3088
Hvpx__239110_15_7 =  2.3E-05                                  ! [atm] type: ?, ref: 3549

! species:  diflubenzuron
! formula:  C_{14}H_9ClF_2N_2O_2
! trivial:  difluron
! casrn:    35367-38-5
! inchikey: QQQYTWIFVNKMRW-UHFFFAOYSA-N
Hvpx___35367_38_5 =  2.5E-04                                  ! [atm] type: V, ref: 3586
Hvpx___35367_38_5 =  2.5E-04                                  ! [atm] type: V, ref: 3088
Hvpx___35367_38_5 =  2.5E-04                                  ! [atm] type: V, ref: 2614
Hvpx___35367_38_5 =  2.6E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx___35367_38_5 =  7.6E-05                                  ! [atm] type: Q, ref: 3586
Hvpx___35367_38_5 =  1.7E-02                                  ! [atm] type: Q, ref: 3729
Hvpx___35367_38_5 =  3.2E-04                                  ! [atm] type: ?, ref: 3549

! species:  efavirenz
! formula:  C_{14}H_9ClF_3NO_2
! trivial:  
! casrn:    154598-52-4
! inchikey: XPOQHMRABVBWPR-ZDUSSCGKSA-N
Hvpx__154598_52_4 =  3.9E-04                                  ! [atm] type: Q, ref: 3088

! species:  halauxifen-methyl
! formula:  C_{14}H_{11}Cl_2FN_2O_3
! trivial:  
! casrn:    943831-98-9
! inchikey: KDHKOPYYWOHESS-UHFFFAOYSA-N
Hvpx__943831_98_9 =  6.7E-07                                  ! [atm] type: ?, ref: 3549
Hvpx__943831_98_9 =  6.7E-07                                  ! [atm] type: ?, ref: 3549
Hvpx__943831_98_9 =  6.6E-07                                  ! [atm] type: ?, ref: 3549
Hvpx__943831_98_9 =  6.1E-07                                  ! [atm] type: ?, ref: 3549

! species:  fluroxypyr-butometyl
! formula:  C_{14}H_{19}Cl_2FN_2O_4
! trivial:  
! casrn:    154486-27-8
! inchikey: ZKFARSBUEBZZJT-UHFFFAOYSA-N
Hvpx__154486_27_8 =  2.3E-04                                  ! [atm] type: ?, ref: 3766

! species:  teflubenzuron
! formula:  C_{14}H_6N_2O_2Cl_2F_4
! trivial:  
! casrn:    83121-18-0
! inchikey: CJDWRQLODFKPEL-UHFFFAOYSA-N
Hvpx___83121_18_0 =  8.7E-06                                  ! [atm] type: V, ref: 3586
Hvpx___83121_18_0 =  2.1E-05                                  ! [atm] type: Q, ref: 3586

! species:  fluroxypyr-meptyl
! formula:  C_{15}H_{21}Cl_2FN_2O_3
! trivial:  attain A
! casrn:    81406-37-3
! inchikey: OLZQTUCTGLHFTQ-UHFFFAOYSA-N
Hvpx___81406_37_3 =  1.5E-02                                  ! [atm] type: ?, ref: 3549

! species:  quinoxyfen
! formula:  C_{15}H_8Cl_2FNO
! trivial:  
! casrn:    124495-18-7
! inchikey: WRPIRSINYZBGPK-UHFFFAOYSA-N
Hvpx__124495_18_7 =  5.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl acetate
! formula:  C_{15}H_9ClF_3NO_5
! trivial:  
! casrn:    50594-44-0
! inchikey: PSWSPFSDVZVVDC-UHFFFAOYSA-N
Hvpx___50594_44_0 =  2.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___50594_44_0 =  3.6E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___50594_44_0 =  1.5E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___50594_44_0 =  1.7E-03                                  ! [atm] type: Q, ref: 2995

! species:  triflumuron
! formula:  C_{15}H_{10}ClF_3N_2O_3
! trivial:  
! casrn:    64628-44-0
! inchikey: XAIPTRIXGHTTNT-UHFFFAOYSA-N
Hvpx___64628_44_0 =  4.9E-04                                  ! [atm] type: ?, ref: 3766

! species:  oxyfluorfen
! formula:  C_{15}H_{11}ClF_3NO_4
! trivial:  
! casrn:    42874-03-3
! inchikey: OQMBBFQZGJFLBU-UHFFFAOYSA-N
Hvpx___42874_03_3 =  4.5E-02                                  ! [atm] type: V, ref: 3586
Hvpx___42874_03_3 =  4.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx___42874_03_3 =  6.6E-03                                  ! [atm] type: Q, ref: 3586
Hvpx___42874_03_3 =  1.3E-02                                  ! [atm] type: ?, ref: 3549

! species:  pyraflufen-ethyl
! formula:  C_{15}H_{13}Cl_2F_3N_2O_4
! trivial:  
! casrn:    129630-19-9
! inchikey: APTZNLHMIGJTEW-UHFFFAOYSA-N
Hvpx__129630_19_9 =  4.4E-05                                  ! [atm] type: X, ref: macbean2012
Hvpx__129630_19_9 =  1.2E-05                                  ! [atm] type: ?, ref: 3549

! species:  {\it cis}-furconazole
! formula:  C_{15}H_{14}Cl_2F_3N_3O_2
! trivial:  
! casrn:    112839-32-4
! inchikey: ULCWZQJLFZEXCS-KGLIPLIRSA-N
Hvpx__112839_32_4 =  1.5E-04                                  ! [atm] type: ?, ref: 3766

! species:  carfentrazone ethyl
! formula:  C_{15}H_{14}Cl_2F_3N_3O_3
! trivial:  
! casrn:    128639-02-1
! inchikey: MLKCGVHIFJBRCD-UHFFFAOYSA-N
Hvpx__128639_02_1 =  1.6E-04                                  ! [atm] type: V, ref: 3586
Hvpx__128639_02_1 =  1.7E-04                                  ! [atm] type: V, ref: 3088
Hvpx__128639_02_1 =  3.2E-05                                  ! [atm] type: Q, ref: 3586
Hvpx__128639_02_1 =  8.5E-05                                  ! [atm] type: ?, ref: 3549

! species:  triflumizole
! formula:  C_{15}H_{15}ClF_3N_3O
! trivial:  
! casrn:    68694-11-1
! inchikey: HSMVPDGQOIQYSR-UHFFFAOYSA-N
Hvpx___68694_11_1 =  2.8E-06                                  ! [atm] type: V, ref: 3586
Hvpx___68694_11_1 =  2.2E-08                                  ! [atm] type: V, ref: 2614
Hvpx___68694_11_1 =  1.5E-02                                  ! [atm] type: Q, ref: 3586

! species:  diflumetorim
! formula:  C_{15}H_{16}N_3OClF_2
! trivial:  
! casrn:    130339-07-0
! inchikey: NEKULYKCZPJMMJ-UHFFFAOYSA-N
Hvpx__130339_07_0 =  1.7E-03                                  ! [atm] type: V, ref: 3586
Hvpx__130339_07_0 =  1.9E-04                                  ! [atm] type: Q, ref: 3586

! species:  3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)-quinazolin-4(3H)-one
! formula:  C_{16}H_8Cl_2FN_5O
! trivial:  fluquinconazole
! casrn:    136426-54-5
! inchikey: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
Hvpx__136426_54_5 =  9.8E-10                                  ! [atm] type: Q, ref: 2521
Hvpx__136426_54_5 =  4.0E-06                                  ! [atm] type: Q, ref: 2530
Hvpx__136426_54_5 =  1.1E-06                                  ! [atm] type: ?, ref: 3549

! species:  hexaflumuron
! formula:  C_{16}H_8Cl_2F_6N_2O_3
! trivial:  
! casrn:    86479-06-3
! inchikey: RGNPBRKPHBKNKX-UHFFFAOYSA-N
Hvpx___86479_06_3 =  5.5E-01                                  ! [atm] type: V, ref: 3586
Hvpx___86479_06_3 =  5.5E-01                                  ! [atm] type: V, ref: 3088
Hvpx___86479_06_3 =  1.3E-05                                  ! [atm] type: Q, ref: 3586

! species:  fluopyram
! formula:  C_{16}H_{11}ClF_6N_2O
! trivial:  
! casrn:    658066-35-4
! inchikey: KVDJTXBXMWJJEF-UHFFFAOYSA-N
Hvpx__658066_35_4 =  1.6E-05                                  ! [atm] type: ?, ref: 3549

! species:  haloxyfop-p-methyl
! formula:  C_{16}H_{13}ClF_3NO_4
! trivial:  
! casrn:    72619-32-0
! inchikey: MFSWTRQUCLNFOM-SECBINFHSA-N
Hvpx___72619_32_0 =  6.6E-04                                  ! [atm] type: ?, ref: 3549

! species:  flumetralin
! formula:  C_{16}H_{12}ClF_4N_3O_4
! trivial:  
! casrn:    62924-70-3
! inchikey: PWNAWOCHVWERAR-UHFFFAOYSA-N
Hvpx___62924_70_3 =  1.1E-01                                  ! [atm] type: V, ref: 3586
Hvpx___62924_70_3 =  1.4E-04                                  ! [atm] type: Q, ref: 3586

! species:  haloxyfop-methyl
! formula:  C_{16}H_{13}ClF_3NO_4
! trivial:  
! casrn:    69806-40-2
! inchikey: MFSWTRQUCLNFOM-UHFFFAOYSA-N
Hvpx___69806_40_2 =  1.8E-02                                  ! [atm] type: V, ref: 3586
Hvpx___69806_40_2 =  1.8E-03                                  ! [atm] type: Q, ref: 3586

! species:  pydiflumetofen
! formula:  C_{16}H_{16}Cl_3F_2N_3O_2
! trivial:  
! casrn:    1228284-64-7
! inchikey: DGOAXBPOVUPPEB-UHFFFAOYSA-N
Hvpx_1228284_64_7 =  8.2E-05                                  ! [atm] type: ?, ref: 3766

! species:  nuarimol
! formula:  C_{17}H_{12}ClFN_2O
! trivial:  
! casrn:    63284-71-9
! inchikey: SAPGTCDSBGMXCD-UHFFFAOYSA-N
Hvpx___63284_71_9 =  3.7E-08                                  ! [atm] type: ?, ref: 3087

! species:  clodinafop-propargyl
! formula:  C_{17}H_{13}ClFNO_4
! trivial:  
! casrn:    105512-06-9
! inchikey: JBDHZKLJNAIJNC-LLVKDONJSA-N
Hvpx__105512_06_9 =  1.5E-04                                  ! [atm] type: V, ref: 3586
Hvpx__105512_06_9 =  1.5E-04                                  ! [atm] type: V, ref: 3088
Hvpx__105512_06_9 =  2.3E-04                                  ! [atm] type: Q, ref: 3586
Hvpx__105512_06_9 =  1.5E-04                                  ! [atm] type: ?, ref: 3549

! species:  flamprop-methyl
! formula:  C_{17}H_{15}ClFNO_3
! trivial:  
! casrn:    52756-25-9
! inchikey: RBNIGDFIUWJJEV-UHFFFAOYSA-N
Hvpx___52756_25_9 =  2.5E-04                                  ! [atm] type: ?, ref: 3087

! species:  pyridalyl
! formula:  C_{18}H_{14}Cl_4F_3NO_3
! trivial:  
! casrn:    179101-81-6
! inchikey: UBSUICNYBBPFHD-UHFFFAOYSA-N
Hvpx__179101_81_6 =  1.1E-07                                  ! [atm] type: V, ref: 3088

! species:  mefentrifluconazole
! formula:  C_{18}H_{15}ClF_3N_3O_2
! trivial:  
! casrn:    1417782-03-6
! inchikey: JERZEQUMJNCPRJ-UHFFFAOYSA-N
Hvpx_1417782_03_6 =  8.7E-04                                  ! [atm] type: ?, ref: 3549

! species:  bixafen
! formula:  C_{18}H_{12}N_3OCl_2F_3
! trivial:  
! casrn:    581809-46-3
! inchikey: LDLMOOXUCMHBMZ-UHFFFAOYSA-N
Hvpx__581809_46_3 =  2.1E-05                                  ! [atm] type: ?, ref: 3549

! species:  benzovindiflupyr
! formula:  C_{18}H_{15}Cl_2F_2N_3O
! trivial:  
! casrn:    1072957-71-1
! inchikey: CCCGEKHKTPTUHJ-UHFFFAOYSA-N
Hvpx_1072957_71_1 =  7.1E-07                                  ! [atm] type: ?, ref: 3549

! species:  lactofen
! formula:  C_{19}H_{15}ClF_3NO_7
! trivial:  
! casrn:    77501-63-4
! inchikey: CONWAEURSVPLRM-UHFFFAOYSA-N
Hvpx___77501_63_4 =  2.6E-02                                  ! [atm] type: V, ref: 3586
Hvpx___77501_63_4 =  2.3E-02                                  ! [atm] type: V, ref: 3088
Hvpx___77501_63_4 =  1.4E-05                                  ! [atm] type: Q, ref: 3586

! species:  flupoxam
! formula:  C_{19}H_{14}N_4O_2ClF_5
! trivial:  
! casrn:    119126-15-7
! inchikey: AOQMRUTZEYVDIL-UHFFFAOYSA-N
Hvpx__119126_15_7 =  5.0E-03                                  ! [atm] type: V, ref: 3586
Hvpx__119126_15_7 =  2.0E-08                                  ! [atm] type: Q, ref: 3586

! species:  flamprop-m-isopropyl
! formula:  C_{19}H_{19}NO_3ClF
! trivial:  
! casrn:    63782-90-1
! inchikey: IKVXBIIHQGXQRQ-CYBMUJFWSA-N
Hvpx___63782_90_1 =  1.4E-03                                  ! [atm] type: V, ref: 3586
Hvpx___63782_90_1 =  2.3E-02                                  ! [atm] type: Q, ref: 3586

! species:  haloxyfop-ethoxyethyl
! formula:  C_{19}H_{19}ClF_3NO_5
! trivial:  
! casrn:    87237-48-7
! inchikey: MIJLZGZLQLAQCM-UHFFFAOYSA-N
Hvpx___87237_48_7 =  1.5E-05                                  ! [atm] type: ?, ref: 3766

! species:  chlorfluazuron
! formula:  C_{20}H_9Cl_3F_5N_3O_3
! trivial:  
! casrn:    71422-67-8
! inchikey: UISUNVFOGSJSKD-UHFFFAOYSA-N
Hvpx___71422_67_8 =  6.6E-08                                  ! [atm] type: Q, ref: 3730
Hvpx___71422_67_8 =  4.9E-07                                  ! [atm] type: Q, ref: 3586
Hvpx___71422_67_8 =  1.4E-09                                  ! [atm] type: Q, ref: 2521
Hvpx___71422_67_8 =  2.7E-07                                  ! [atm] type: Q, ref: 2530
Hvpx___71422_67_8 =  1.0E-07                                  ! [atm] type: ?, ref: 3586

! species:  fluazuron
! formula:  C_{20}H_{10}N_3O_3Cl_2F_5
! trivial:  
! casrn:    86811-58-7
! inchikey: YOWNVPAUWYHLQX-UHFFFAOYSA-N
Hvpx___86811_58_7 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  flufenoxuron
! formula:  C_{21}H_{11}ClF_6N_2O_3
! trivial:  
! casrn:    101463-69-8
! inchikey: RYLHNOVXKPXDIP-UHFFFAOYSA-N
Hvpx__101463_69_8 =  1.4E-07                                  ! [atm] type: Q, ref: 3088

! species:  fluoxastrobin
! formula:  C_{21}H_{16}N_4O_5ClF
! trivial:  
! casrn:    361377-29-9
! inchikey: UFEODZBUAFNAEU-NLRVBDNBSA-N
Hvpx__361377_29_9 =  6.1E-08                                  ! [atm] type: V, ref: 3088
Hvpx__361377_29_9 =  5.5E-08                                  ! [atm] type: ?, ref: 3549

! species:  haloperidol
! formula:  C_{21}H_{23}ClFNO_2
! trivial:  
! casrn:    52-86-8
! inchikey: LNEPOXFFQSENCJ-UHFFFAOYSA-N
Hvpx______52_86_8 =  1.3E-09                                  ! [atm] type: Q, ref: 3088

! species:  indoxacarb
! formula:  C_{22}H_{17}ClF_3N_3O_7
! trivial:  
! casrn:    173584-44-6
! inchikey: VBCVPMMZEGZULK-NRFANRHFSA-N
Hvpx__173584_44_6 =  3.7E-05                                  ! [atm] type: V, ref: 3088
Hvpx__173584_44_6 =  3.3E-05                                  ! [atm] type: ?, ref: 3549

! species:  cyfluthrin
! formula:  C_{22}H_{18}Cl_2FNO_3
! trivial:  
! casrn:    68359-37-5
! inchikey: QQODLKZGRKWIFG-UHFFFAOYSA-N
Hvpx___68359_37_5 =  1.6E-03                                  ! [atm] type: V, ref: 3088
Hvpx___68359_37_5 =  5.1E-02                                  ! [atm] type: ?, ref: 3549
Hvpx___68359_37_5 =  3.3E-01                                  ! [atm] type: ?, ref: 3549

! species:  cyfluthrin I
! formula:  C_{22}H_{18}Cl_2FNO_3
! trivial:  
! casrn:    86560-92-1
! inchikey: QQODLKZGRKWIFG-QSFXBCCZSA-N
Hvpx___86560_92_1 =  2.5E-01                                  ! [atm] type: ?, ref: 3766

! species:  $\beta$-cyfluthrin (cis)
! formula:  C_{22}H_{18}Cl_2FNO_3
! trivial:  
! casrn:    86560-93-2
! inchikey: QQODLKZGRKWIFG-XFQXTVEOSA-N
Hvpx___86560_93_2 =  3.8E-03                                  ! [atm] type: ?, ref: 3766

! species:  cyfluthrin II
! formula:  C_{22}H_{18}Cl_2FNO_3
! trivial:  
! casrn:    86560-94-3
! inchikey: QQODLKZGRKWIFG-BPAFIMBUSA-N
Hvpx___86560_94_3 =  5.1E-03                                  ! [atm] type: ?, ref: 3766

! species:  $\beta$-cyfluthrin (trans)
! formula:  C_{22}H_{18}Cl_2FNO_3
! trivial:  
! casrn:    86560-95-4
! inchikey: QQODLKZGRKWIFG-QKYXUNIQSA-N
Hvpx___86560_95_4 =  1.5E-02                                  ! [atm] type: ?, ref: 3766

! species:  metamifop
! formula:  C_{23}H_{18}N_2O_4ClF
! trivial:  
! casrn:    256412-89-2
! inchikey: ADDQHLREJDZPMT-CQSZACIVSA-N
Hvpx__256412_89_2 =  3.5E-02                                  ! [atm] type: ?, ref: 3087

! species:  pyriminostrobin
! formula:  C_{23}H_{18}Cl_2F_3N_3O_4
! trivial:  
! casrn:    1257598-43-8
! inchikey: YYXSCUSVVALMNW-FOWTUZBSSA-N
Hvpx_1257598_43_8 =  6.6E-05                                  ! [atm] type: ?, ref: 3766

! species:  cyhalothrin
! formula:  C_{23}H_{19}NO_3ClF_3
! trivial:  
! casrn:    68085-85-8
! inchikey: ZXQYGBMAQZUVMI-BWHPXCRDSA-N
Hvpx___68085_85_8 =  7.7E-01                                  ! [atm] type: Q, ref: 3088

! species:  bifenthrin
! formula:  C_{23}H_{22}ClF_3O_2
! trivial:  
! casrn:    82657-04-3
! inchikey: OMFRMAHOUUJSGP-UNOMPAQXSA-N
Hvpx___82657_04_3 =  5.5E-02                                  ! [atm] type: V, ref: 3586
Hvpx___82657_04_3 =  5.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx___82657_04_3 =  5.5E-02                                  ! [atm] type: C, ref: 2521
Hvpx___82657_04_3 =  2.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx___82657_04_3 =  1.2E-01                                  ! [atm] type: Q, ref: 2521

! species:  $\lambda$-cyhalothrin
! formula:  C_{23}H_{19}ClF_3NO_3
! trivial:  
! casrn:    91465-08-6
! inchikey: DFVKOWFGNASVPK-QQDHXZELSA-N
Hvpx___91465_08_6 =  1.1E-02                                  ! [atm] type: ?, ref: 3549

! species:  $\gamma$-cyhalothrin
! formula:  C_{23}H_{19}ClF_3NO_3
! trivial:  
! casrn:    76703-62-3
! inchikey: ZXQYGBMAQZUVMI-GCMPRSNUSA-N
Hvpx___76703_62_3 =  1.2E-02                                  ! [atm] type: ?, ref: 3549

! species:  flucycloxuron
! formula:  C_{25}H_{20}ClF_2N_3O_3
! trivial:  
! casrn:    94050-52-9
! inchikey: PCKNFPQPGUWFHO-UQRQXUALSA-N
Hvpx___94050_52_9 =  1.4E-02                                  ! [atm] type: ?, ref: 3087

! species:  $\tau$-fluvalinate
! formula:  C_{26}H_{22}ClF_3N_2O_3
! trivial:  
! casrn:    102851-06-9
! inchikey: INISTDXBRIBGOC-XMMISQBUSA-N
Hvpx__102851_06_9 =  6.6E-05                                  ! [atm] type: ?, ref: 3549

! species:  fluvalinate
! formula:  C_{26}H_{22}ClF_3N_2O_3
! trivial:  
! casrn:    69409-94-5
! inchikey: INISTDXBRIBGOC-UHFFFAOYSA-N
Hvpx___69409_94_5 =  8.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  bromomethane
! formula:  CH_3Br
! trivial:  methyl bromide
! casrn:    74-83-9
! inchikey: GZUXJHMPEANEGY-UHFFFAOYSA-N
Hvpx______74_83_9 =  3.7E+02 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_83_9 =  3.7E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_83_9 =  3.2E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_83_9 =  3.7E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_83_9 =  3.7E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______74_83_9 =  3.2E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______74_83_9 =  3.2E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______74_83_9 =  3.2E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______74_83_9 =  3.4E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx______74_83_9 =  4.3E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______74_83_9 =  2.8E+02                                  ! [atm] type: M, ref: 3948
Hvpx______74_83_9 =  3.1E+02 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3573
Hvpx______74_83_9 =  4.0E+02                                  ! [atm] type: M, ref: 892
Hvpx______74_83_9 =  3.2E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1342
Hvpx______74_83_9 =  3.5E+02 * EXP(  -2600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1340
Hvpx______74_83_9 =  3.4E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2222
Hvpx______74_83_9 =  3.5E+02                                  ! [atm] type: V, ref: 2612
Hvpx______74_83_9 =  3.4E+02                                  ! [atm] type: V, ref: 477
Hvpx______74_83_9 =  3.5E+02                                  ! [atm] type: V, ref: 635
Hvpx______74_83_9 =  2.9E+02                                  ! [atm] type: V, ref: 479
Hvpx______74_83_9 =  3.6E+02                                  ! [atm] type: V, ref: 642
Hvpx______74_83_9 =  3.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______74_83_9 =  1.2E+04 * EXP(   -350.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______74_83_9 =  3.0E+03                                  ! [atm] type: Q, ref: 3730
Hvpx______74_83_9 =  1.6E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______74_83_9 =  9.9E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______74_83_9 =  1.4E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______74_83_9 =  2.3E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______74_83_9 =  1.5E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______74_83_9 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______74_83_9 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______74_83_9 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______74_83_9 =  3.2E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______74_83_9 =  2.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______74_83_9 =  2.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______74_83_9 =  3.1E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______74_83_9 =  4.6E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______74_83_9 =  5.5E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______74_83_9 =  3.6E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______74_83_9 =  1.8E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______74_83_9 =  6.9E+02                                  ! [atm] type: Q, ref: 2550
Hvpx______74_83_9 =  4.1E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______74_83_9 =  3.0E+02                                  ! [atm] type: ?, ref: 3948
Hvpx______74_83_9 =  3.8E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______74_83_9 =  3.2E+02                                  ! [atm] type: ?, ref: 1330
Hvpx______74_83_9 =  3.8E+02                                  ! [atm] type: ?, ref: 789
Hvpx______74_83_9 =  3.4E+02                                  ! [atm] type: ?, ref: 1500

! species:  dibromomethane
! formula:  CH_2Br_2
! trivial:  
! casrn:    74-95-3
! inchikey: FJBFPHVGVWTDIP-UHFFFAOYSA-N
Hvpx______74_95_3 =  4.5E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_95_3 =  6.1E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_95_3 =  6.1E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_95_3 =  4.5E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______74_95_3 =  1.7E+01                                  ! [atm] type: L, ref: 479
Hvpx______74_95_3 =  4.5E+01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______74_95_3 =  6.1E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3564
Hvpx______74_95_3 =  3.8E+01                                  ! [atm] type: M, ref: 2938
Hvpx______74_95_3 =  3.6E+01                                  ! [atm] type: M, ref: 2450
Hvpx______74_95_3 =  4.5E+01 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______74_95_3 =  5.6E+01 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 583
Hvpx______74_95_3 =  5.0E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx______74_95_3 =  4.9E+01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx______74_95_3 =  4.9E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx______74_95_3 =  5.0E+01                                  ! [atm] type: V, ref: 2612
Hvpx______74_95_3 =  4.2E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx______74_95_3 =  7.7E+01                                  ! [atm] type: V, ref: 635
Hvpx______74_95_3 =  4.9E+01                                  ! [atm] type: V, ref: 642
Hvpx______74_95_3 =  5.2E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______74_95_3 =  1.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx______74_95_3 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______74_95_3 =  1.1E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______74_95_3 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______74_95_3 =  4.5E+00                                  ! [atm] type: Q, ref: 3579
Hvpx______74_95_3 =  1.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______74_95_3 =  3.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______74_95_3 =  4.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______74_95_3 =  6.7E+01                                  ! [atm] type: Q, ref: 3731
Hvpx______74_95_3 =  2.0E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______74_95_3 =  5.8E+01                                  ! [atm] type: Q, ref: 2482
Hvpx______74_95_3 =  4.7E+01                                  ! [atm] type: ?, ref: 2612
Hvpx______74_95_3 =  5.1E+01                                  ! [atm] type: ?, ref: 2440
Hvpx______74_95_3 =  4.7E+01                                  ! [atm] type: ?, ref: 635
Hvpx______74_95_3 =  4.9E+01                                  ! [atm] type: ?, ref: 1500

! species:  tribromomethane
! formula:  CHBr_3
! trivial:  bromoform
! casrn:    75-25-2
! inchikey: DIKBFYAXUHHXCS-UHFFFAOYSA-N
Hvpx______75_25_2 =  3.1E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_25_2 =  5.2E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_25_2 =  3.1E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_25_2 =  5.2E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_25_2 =  3.0E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_25_2 =  3.1E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_25_2 =  3.1E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______75_25_2 =  3.1E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______75_25_2 =  3.1E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______75_25_2 =  3.4E+01                                  ! [atm] type: L, ref: 479
Hvpx______75_25_2 =  2.5E+01 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______75_25_2 =  5.5E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3564
Hvpx______75_25_2 =  2.8E+01                                  ! [atm] type: M, ref: 3572
Hvpx______75_25_2 =  5.7E+01                                  ! [atm] type: M, ref: 2940
Hvpx______75_25_2 =  2.3E+01                                  ! [atm] type: M, ref: 2450
Hvpx______75_25_2 =  3.9E+01 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______75_25_2 =  3.7E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 583
Hvpx______75_25_2 =  6.4E+01 * EXP(  -1500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2895
Hvpx______75_25_2 =  2.3E+01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 855
Hvpx______75_25_2 =  2.9E+01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx______75_25_2 =  3.0E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2243
Hvpx______75_25_2 =  3.3E+01 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: M, ref: 531
Hvpx______75_25_2 =  2.9E+01                                  ! [atm] type: M, ref: 2900
Hvpx______75_25_2 =  3.2E+01                                  ! [atm] type: V, ref: 2612
Hvpx______75_25_2 =  3.1E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx______75_25_2 =  3.2E+01                                  ! [atm] type: V, ref: 635
Hvpx______75_25_2 =  3.3E+01                                  ! [atm] type: V, ref: 2900
Hvpx______75_25_2 =  3.7E+01                                  ! [atm] type: V, ref: 642
Hvpx______75_25_2 =  3.0E+01 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______75_25_2 =  3.2E+01                                  ! [atm] type: C, ref: 2235
Hvpx______75_25_2 =  3.2E+01                                  ! [atm] type: C, ref: 531
Hvpx______75_25_2 =  2.9E+01                                  ! [atm] type: C, ref: 3083
Hvpx______75_25_2 =  6.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______75_25_2 =  5.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______75_25_2 =  7.7E+00                                  ! [atm] type: Q, ref: 3406
Hvpx______75_25_2 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_25_2 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______75_25_2 =  7.0E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_25_2 =  7.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______75_25_2 =  5.6E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______75_25_2 =  3.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______75_25_2 =  2.4E+01                                  ! [atm] type: Q, ref: 3731
Hvpx______75_25_2 =  4.0E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______75_25_2 =  2.3E+01                                  ! [atm] type: Q, ref: 2482
Hvpx______75_25_2 =  3.0E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______75_25_2 =  2.5E+01                                  ! [atm] type: ?, ref: 2612
Hvpx______75_25_2 =  3.2E+01                                  ! [atm] type: ?, ref: 2440
Hvpx______75_25_2 =  2.5E+01                                  ! [atm] type: ?, ref: 635
Hvpx______75_25_2 =  3.7E+01                                  ! [atm] type: ?, ref: 1500

! species:  tetrabromomethane
! formula:  CBr_4
! trivial:  
! casrn:    558-13-4
! inchikey: HJUGFYREWKUQJT-UHFFFAOYSA-N
Hvpx_____558_13_4 =  2.7E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____558_13_4 =  2.7E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____558_13_4 =  4.6E+01                                  ! [atm] type: V, ref: 1943
Hvpx_____558_13_4 =  2.8E+01                                  ! [atm] type: C, ref: 2521
Hvpx_____558_13_4 =  5.6E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____558_13_4 =  2.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____558_13_4 =  2.5E+03                                  ! [atm] type: Q, ref: 2530

! species:  bromoethane
! formula:  C_2H_5Br
! trivial:  
! casrn:    74-96-4
! inchikey: RDHPKYGYEGBMSE-UHFFFAOYSA-N
Hvpx______74_96_4 =  4.1E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_96_4 =  4.1E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______74_96_4 =  4.2E+02                                  ! [atm] type: M, ref: 2493
Hvpx______74_96_4 =  4.1E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx______74_96_4 =  4.1E+02                                  ! [atm] type: V, ref: 3586
Hvpx______74_96_4 =  6.7E+02                                  ! [atm] type: V, ref: 635
Hvpx______74_96_4 =  3.9E+02                                  ! [atm] type: V, ref: 1497
Hvpx______74_96_4 =  4.2E+02                                  ! [atm] type: V, ref: 642
Hvpx______74_96_4 =  4.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______74_96_4 =  6.0E+03                                  ! [atm] type: C, ref: 2235
Hvpx______74_96_4 =  4.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______74_96_4 =  1.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______74_96_4 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______74_96_4 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______74_96_4 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______74_96_4 =  3.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______74_96_4 =  1.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______74_96_4 =  4.6E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______74_96_4 =  4.0E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______74_96_4 =  7.1E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______74_96_4 =  4.9E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______74_96_4 =  2.4E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______74_96_4 =  4.9E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______74_96_4 =  3.3E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______74_96_4 =  4.1E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______74_96_4 =  4.1E+02                                  ! [atm] type: ?, ref: 789
Hvpx______74_96_4 =  3.9E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,1-dibromoethane
! formula:  C_2H_4Br_2
! trivial:  
! casrn:    557-91-5
! inchikey: APQIUTYORBAGEZ-UHFFFAOYSA-N
Hvpx_____557_91_5 =  7.2E+01                                  ! [atm] type: Q, ref: 3088

! species:  1,2-dibromoethane
! formula:  C_2H_4Br_2
! trivial:  ethylene dibromide
! casrn:    106-93-4
! inchikey: PAAZPARNPHGIKF-UHFFFAOYSA-N
Hvpx_____106_93_4 =  4.0E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____106_93_4 =  3.7E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____106_93_4 =  4.0E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____106_93_4 =  3.2E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____106_93_4 =  2.8E+01                                  ! [atm] type: M, ref: 2938
Hvpx_____106_93_4 =  4.2E+01                                  ! [atm] type: M, ref: 3646
Hvpx_____106_93_4 =  2.8E+01                                  ! [atm] type: M, ref: 2450
Hvpx_____106_93_4 =  3.0E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____106_93_4 =  5.0E+01 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2895
Hvpx_____106_93_4 =  3.8E+01 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____106_93_4 =  3.7E+01                                  ! [atm] type: V, ref: 2612
Hvpx_____106_93_4 =  2.6E+02                                  ! [atm] type: V, ref: 635
Hvpx_____106_93_4 =  3.9E+01                                  ! [atm] type: V, ref: 642
Hvpx_____106_93_4 =  4.4E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_93_4 =  4.9E+01 * EXP(  -1900.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____106_93_4 =  3.6E+01                                  ! [atm] type: C, ref: 3088
Hvpx_____106_93_4 =  4.6E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____106_93_4 =  1.6E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_93_4 =  8.8E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_93_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_93_4 =  1.2E+01                                  ! [atm] type: Q, ref: 3409
Hvpx_____106_93_4 =  1.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_93_4 =  4.7E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____106_93_4 =  1.4E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_93_4 =  8.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_93_4 =  3.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_93_4 =  1.3E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_93_4 =  7.3E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____106_93_4 =  4.5E+02                                  ! [atm] type: ?, ref: 3539
Hvpx_____106_93_4 =  3.6E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____106_93_4 =  3.6E+01                                  ! [atm] type: ?, ref: 2612
Hvpx_____106_93_4 =  4.4E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____106_93_4 =  3.6E+01                                  ! [atm] type: ?, ref: 635
Hvpx_____106_93_4 =  3.9E+01                                  ! [atm] type: ?, ref: 789
Hvpx_____106_93_4 =  2.6E+01                                  ! [atm] type: ?, ref: 1500
Hvpx_____106_93_4 =  3.5E+01                                  ! [atm] type: ?, ref: 2233
Hvpx_____106_93_4 =  3.1E+01                                  ! [atm] type: ?, ref: 2979

! species:  1,2-dibromoethane-d4
! formula:  C_2D_4Br_2
! trivial:  ethylene dibromide-d4
! casrn:    22581-63-1
! inchikey: PAAZPARNPHGIKF-LNLMKGTHSA-N
Hvpx___22581_63_1 =  3.4E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,1,2-tribromoethane
! formula:  C_2H_3Br_3
! trivial:  
! casrn:    78-74-0
! inchikey: QUMDOMSJJIFTCA-UHFFFAOYSA-N
Hvpx______78_74_0 =  2.3E+01                                  ! [atm] type: ?, ref: 3766

! species:  1,1,2,2-tetrabromoethane
! formula:  C_2H_2Br_4
! trivial:  
! casrn:    79-27-6
! inchikey: QXSZNDIIPUOQMB-UHFFFAOYSA-N
Hvpx______79_27_6 =  3.8E+01 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_27_6 =  3.8E+01 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______79_27_6 =  5.5E+01 * EXP(   -840.*(1./T-1./298.15)) ! [atm] type: M, ref: 2895
Hvpx______79_27_6 =  7.4E-01                                  ! [atm] type: V, ref: 3586
Hvpx______79_27_6 =  7.2E-01                                  ! [atm] type: V, ref: 3088
Hvpx______79_27_6 =  7.5E-01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______79_27_6 =  3.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______79_27_6 =  9.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______79_27_6 =  1.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______79_27_6 =  1.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______79_27_6 =  3.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______79_27_6 =  7.6E-01                                  ! [atm] type: Q, ref: 3579
Hvpx______79_27_6 =  2.3E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______79_27_6 =  7.8E-01                                  ! [atm] type: Q, ref: 2535
Hvpx______79_27_6 =  2.4E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______79_27_6 =  7.5E-01                                  ! [atm] type: ?, ref: 2440

! species:  1-bromopropane
! formula:  C_3H_7Br
! trivial:  
! casrn:    106-94-5
! inchikey: CYNYIHKIEHGYOZ-UHFFFAOYSA-N
Hvpx_____106_94_5 =  5.2E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____106_94_5 =  5.2E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____106_94_5 =  5.0E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx_____106_94_5 =  4.0E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____106_94_5 =  2.1E+03                                  ! [atm] type: V, ref: 2612
Hvpx_____106_94_5 =  2.1E+03                                  ! [atm] type: V, ref: 635
Hvpx_____106_94_5 =  5.2E+02                                  ! [atm] type: V, ref: 1497
Hvpx_____106_94_5 =  5.3E+02                                  ! [atm] type: V, ref: 642
Hvpx_____106_94_5 =  4.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_94_5 =  3.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_94_5 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_94_5 =  2.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_94_5 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_94_5 =  5.1E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____106_94_5 =  2.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_94_5 =  4.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_94_5 =  4.0E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_94_5 =  1.4E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____106_94_5 =  6.5E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_94_5 =  1.6E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_94_5 =  1.6E+03                                  ! [atm] type: Q, ref: 731
Hvpx_____106_94_5 =  6.5E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____106_94_5 =  4.2E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____106_94_5 =  5.1E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____106_94_5 =  4.0E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____106_94_5 =  5.3E+02                                  ! [atm] type: ?, ref: 1500

! species:  2-bromopropane
! formula:  C_3H_7Br
! trivial:  
! casrn:    75-26-3
! inchikey: NAMYKGVDVNBCFQ-UHFFFAOYSA-N
Hvpx______75_26_3 =  6.1E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_26_3 =  6.5E+02                                  ! [atm] type: M, ref: 2493
Hvpx______75_26_3 =  6.1E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx______75_26_3 =  6.1E+02                                  ! [atm] type: V, ref: 3586
Hvpx______75_26_3 =  6.1E+02                                  ! [atm] type: V, ref: 3088
Hvpx______75_26_3 =  7.0E+02                                  ! [atm] type: V, ref: 2612
Hvpx______75_26_3 =  7.0E+02                                  ! [atm] type: V, ref: 635
Hvpx______75_26_3 =  6.0E+02                                  ! [atm] type: V, ref: 642
Hvpx______75_26_3 =  5.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_26_3 =  1.0E+03                                  ! [atm] type: Q, ref: 3586
Hvpx______75_26_3 =  1.5E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______75_26_3 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_26_3 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_26_3 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_26_3 =  5.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______75_26_3 =  3.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_26_3 =  7.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______75_26_3 =  5.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______75_26_3 =  1.6E+03                                  ! [atm] type: Q, ref: 3731
Hvpx______75_26_3 =  8.2E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______75_26_3 =  1.7E+03                                  ! [atm] type: Q, ref: 3764
Hvpx______75_26_3 =  7.4E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______75_26_3 =  5.9E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______75_26_3 =  6.7E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______75_26_3 =  5.4E+02                                  ! [atm] type: ?, ref: 789
Hvpx______75_26_3 =  6.0E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,2-dibromopropane
! formula:  C_3H_6Br_2
! trivial:  
! casrn:    78-75-1
! inchikey: XFNJYAKDBJUJAJ-UHFFFAOYSA-N
Hvpx______78_75_1 =  1.0E+02                                  ! [atm] type: M, ref: 3946
Hvpx______78_75_1 =  8.1E+01                                  ! [atm] type: V, ref: 3586
Hvpx______78_75_1 =  8.1E+01                                  ! [atm] type: V, ref: 3088
Hvpx______78_75_1 =  8.0E+01                                  ! [atm] type: V, ref: 2612
Hvpx______78_75_1 =  5.1E+01                                  ! [atm] type: V, ref: 642
Hvpx______78_75_1 =  8.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_75_1 =  3.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______78_75_1 =  1.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx______78_75_1 =  8.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______78_75_1 =  2.9E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______78_75_1 =  1.9E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______78_75_1 =  8.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______78_75_1 =  1.1E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______78_75_1 =  1.2E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______78_75_1 =  8.2E+01                                  ! [atm] type: ?, ref: 789

! species:  1,3-dibromopropane
! formula:  C_3H_6Br_2
! trivial:  
! casrn:    109-64-8
! inchikey: VEFLKXRACNJHOV-UHFFFAOYSA-N
Hvpx_____109_64_8 =  4.9E+02                                  ! [atm] type: V, ref: 635
Hvpx_____109_64_8 =  4.9E+01                                  ! [atm] type: V, ref: 642
Hvpx_____109_64_8 =  3.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_64_8 =  1.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_64_8 =  7.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_64_8 =  1.1E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_64_8 =  4.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_64_8 =  9.8E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_64_8 =  9.2E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____109_64_8 =  4.9E+01                                  ! [atm] type: ?, ref: 3586

! species:  1-bromobutane
! formula:  C_4H_9Br
! trivial:  
! casrn:    109-65-9
! inchikey: MPPPKRYCTPRNTB-UHFFFAOYSA-N
Hvpx_____109_65_9 =  7.3E+02                                  ! [atm] type: L, ref: 3518
Hvpx_____109_65_9 =  1.2E+03                                  ! [atm] type: M, ref: 637
Hvpx_____109_65_9 =  6.6E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____109_65_9 =  4.8E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____109_65_9 =  4.8E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____109_65_9 =  6.9E+02                                  ! [atm] type: V, ref: 1497
Hvpx_____109_65_9 =  6.8E+02                                  ! [atm] type: V, ref: 642
Hvpx_____109_65_9 =  6.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_65_9 =  4.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_65_9 =  5.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____109_65_9 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_65_9 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_65_9 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____109_65_9 =  7.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____109_65_9 =  2.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_65_9 =  6.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_65_9 =  4.8E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_65_9 =  2.0E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____109_65_9 =  8.7E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_65_9 =  1.3E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_65_9 =  9.4E+02                                  ! [atm] type: Q, ref: 731
Hvpx_____109_65_9 =  8.3E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____109_65_9 =  5.3E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____109_65_9 =  6.6E+02                                  ! [atm] type: ?, ref: 3034
Hvpx_____109_65_9 =  6.8E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____109_65_9 =  6.7E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____109_65_9 =  6.9E+02                                  ! [atm] type: ?, ref: 1500

! species:  2-bromobutane
! formula:  C_4H_9Br
! trivial:  
! casrn:    78-76-2
! inchikey: UPSXAPQYNGXVBF-UHFFFAOYSA-N
Hvpx______78_76_2 =  6.2E+02                                  ! [atm] type: L, ref: 3518
Hvpx______78_76_2 =  7.1E+02                                  ! [atm] type: M, ref: 2493
Hvpx______78_76_2 =  8.9E+02                                  ! [atm] type: Q, ref: 3088
Hvpx______78_76_2 =  3.9E+02                                  ! [atm] type: Q, ref: 2521

! species:  1-bromo-2-methylpropane
! formula:  C_4H_9Br
! trivial:  
! casrn:    78-77-3
! inchikey: HLVFKOKELQSXIQ-UHFFFAOYSA-N
Hvpx______78_77_3 =  1.3E+03                                  ! [atm] type: V, ref: 642
Hvpx______78_77_3 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______78_77_3 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______78_77_3 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______78_77_3 =  2.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______78_77_3 =  7.0E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______78_77_3 =  1.3E+03                                  ! [atm] type: Q, ref: 2535
Hvpx______78_77_3 =  1.4E+03                                  ! [atm] type: Q, ref: 2543
Hvpx______78_77_3 =  6.3E+02                                  ! [atm] type: Q, ref: 984
Hvpx______78_77_3 =  9.4E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______78_77_3 =  1.3E+03                                  ! [atm] type: ?, ref: 1500

! species:  2-bromo-2-methylpropane
! formula:  C_4H_9Br
! trivial:  
! casrn:    507-19-7
! inchikey: RKSOPLXZQNSWAS-UHFFFAOYSA-N
Hvpx_____507_19_7 =  2.3E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____507_19_7 =  2.3E+03                                  ! [atm] type: V, ref: 3088
Hvpx_____507_19_7 =  2.7E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____507_19_7 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____507_19_7 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____507_19_7 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____507_19_7 =  1.1E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____507_19_7 =  1.1E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____507_19_7 =  1.2E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____507_19_7 =  1.3E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____507_19_7 =  1.1E+03                                  ! [atm] type: Q, ref: 984
Hvpx_____507_19_7 =  1.7E+03                                  ! [atm] type: ?, ref: 789
Hvpx_____507_19_7 =  5.6E+03                                  ! [atm] type: ?, ref: 1500

! species:  1-bromo-3-methylbutane
! formula:  C_5H_{11}Br
! trivial:  
! casrn:    107-82-4
! inchikey: YXZFFTJAHVMMLF-UHFFFAOYSA-N
Hvpx_____107_82_4 =  1.1E+03                                  ! [atm] type: V, ref: 635
Hvpx_____107_82_4 =  1.9E+03                                  ! [atm] type: V, ref: 642
Hvpx_____107_82_4 =  9.2E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_82_4 =  1.2E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_82_4 =  3.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_82_4 =  7.0E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_82_4 =  1.2E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____107_82_4 =  7.8E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____107_82_4 =  1.2E+03                                  ! [atm] type: Q, ref: 1162
Hvpx_____107_82_4 =  1.9E+03                                  ! [atm] type: ?, ref: 3586

! species:  1,4-dibromobutane
! formula:  C_4H_8Br_2
! trivial:  
! casrn:    110-52-1
! inchikey: ULTHEAFYOOPTTB-UHFFFAOYSA-N
Hvpx_____110_52_1 =  3.1E+01                                  ! [atm] type: M, ref: 3946
Hvpx_____110_52_1 =  7.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_52_1 =  1.3E+02                                  ! [atm] type: Q, ref: 2530

! species:  1-bromopentane
! formula:  C_5H_{11}Br
! trivial:  
! casrn:    110-53-2
! inchikey: YZWKKMVJZFACSU-UHFFFAOYSA-N
Hvpx_____110_53_2 =  1.1E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____110_53_2 =  1.2E+03                                  ! [atm] type: V, ref: 1497
Hvpx_____110_53_2 =  9.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_53_2 =  4.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_53_2 =  8.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_53_2 =  1.1E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_53_2 =  3.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_53_2 =  8.4E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_53_2 =  1.1E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_53_2 =  1.2E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_53_2 =  1.1E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_53_2 =  6.8E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____110_53_2 =  9.7E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____110_53_2 =  1.1E+03                                  ! [atm] type: ?, ref: 789
Hvpx_____110_53_2 =  1.2E+03                                  ! [atm] type: ?, ref: 1500

! species:  1-bromo-2-methylbutane
! formula:  C_5H_{11}Br
! trivial:  
! casrn:    10422-35-2
! inchikey: XKVLZBNEPALHIO-UHFFFAOYSA-N
Hvpx___10422_35_2 =  6.2E+02                                  ! [atm] type: Q, ref: 2482

! species:  1-bromohexane
! formula:  C_6H_{13}Br
! trivial:  
! casrn:    111-25-1
! inchikey: MNDIARAMWBIKFW-UHFFFAOYSA-N
Hvpx_____111_25_1 =  1.8E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____111_25_1 =  1.8E+03                                  ! [atm] type: V, ref: 1497
Hvpx_____111_25_1 =  4.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_25_1 =  1.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_25_1 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_25_1 =  1.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_25_1 =  3.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_25_1 =  1.0E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_25_1 =  2.5E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_25_1 =  1.6E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_25_1 =  1.0E+03                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_25_1 =  8.7E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____111_25_1 =  1.8E+03                                  ! [atm] type: ?, ref: 1500

! species:  1-bromo-3-methylpentane
! formula:  C_6H_{13}Br
! trivial:  
! casrn:    51116-73-5
! inchikey: MDCCBJLCTOTLKM-UHFFFAOYSA-N
Hvpx___51116_73_5 =  2.4E+03                                  ! [atm] type: Q, ref: 2543
Hvpx___51116_73_5 =  9.4E+02                                  ! [atm] type: Q, ref: 2482

! species:  bromocyclohexane
! formula:  C_6H_{11}Br
! trivial:  
! casrn:    108-85-0
! inchikey: AQNQQHJNRPDOQV-UHFFFAOYSA-N
Hvpx_____108_85_0 =  7.8E+01                                  ! [atm] type: Q, ref: 2521

! species:  1-bromoheptane
! formula:  C_7H_{15}Br
! trivial:  
! casrn:    629-04-9
! inchikey: LSXKDWGTSHCFPP-UHFFFAOYSA-N
Hvpx_____629_04_9 =  2.5E+03                                  ! [atm] type: L, ref: 3518
Hvpx_____629_04_9 =  2.5E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____629_04_9 =  2.4E+03                                  ! [atm] type: V, ref: 1497
Hvpx_____629_04_9 =  2.5E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____629_04_9 =  4.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____629_04_9 =  1.6E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____629_04_9 =  2.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____629_04_9 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____629_04_9 =  2.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____629_04_9 =  2.4E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____629_04_9 =  4.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____629_04_9 =  1.2E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____629_04_9 =  2.5E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____629_04_9 =  8.4E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____629_04_9 =  2.1E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____629_04_9 =  9.8E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____629_04_9 =  1.1E+03                                  ! [atm] type: Q, ref: 984
Hvpx_____629_04_9 =  2.5E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____629_04_9 =  2.4E+03                                  ! [atm] type: ?, ref: 1500

! species:  1-bromooctane
! formula:  C_8H_{17}Br
! trivial:  
! casrn:    111-83-1
! inchikey: VMKOFRJSULQZRM-UHFFFAOYSA-N
Hvpx_____111_83_1 =  3.2E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____111_83_1 =  2.3E+03 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: V, ref: 2554
Hvpx_____111_83_1 =  3.2E+03                                  ! [atm] type: V, ref: 1497
Hvpx_____111_83_1 =  4.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_83_1 =  3.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_83_1 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_83_1 =  3.5E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____111_83_1 =  5.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_83_1 =  1.3E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____111_83_1 =  3.2E+03                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_83_1 =  2.8E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_83_1 =  9.8E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____111_83_1 =  1.4E+03                                  ! [atm] type: Q, ref: 984
Hvpx_____111_83_1 =  3.2E+03                                  ! [atm] type: ?, ref: 1500

! species:  1,8-dibromooctane
! formula:  C_8H_{16}Br_2
! trivial:  
! casrn:    4549-32-0
! inchikey: DKEGCUDAFWNSSO-UHFFFAOYSA-N
Hvpx____4549_32_0 =  4.1E+01 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2122

! species:  1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane
! formula:  C_8H_{12}Br_4
! trivial:  
! casrn:    3322-93-8
! inchikey: PQRRSJBLKOPVJV-UHFFFAOYSA-N
Hvpx____3322_93_8 =  3.2E-03                                  ! [atm] type: Q, ref: 3088
Hvpx____3322_93_8 =  2.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____3322_93_8 =  1.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____3322_93_8 =  5.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____3322_93_8 =  2.2E+00                                  ! [atm] type: Q, ref: 2995

! species:  1-bromononane
! formula:  C_9H_{19}Br
! trivial:  
! casrn:    693-58-3
! inchikey: AYMUQTNXKPEMLM-UHFFFAOYSA-N
Hvpx_____693_58_3 =  6.9E+02                                  ! [atm] type: Q, ref: 2521

! species:  1-bromodecane
! formula:  C_{10}H_{21}Br
! trivial:  
! casrn:    112-29-8
! inchikey: MYMSJFSOOQERIO-UHFFFAOYSA-N
Hvpx_____112_29_8 =  3.3E+03                                  ! [atm] type: ?, ref: 3766

! species:  hexabromocyclododecane
! formula:  C_{12}H_{18}Br_6
! trivial:  
! casrn:    3194-55-6
! inchikey: DEIGXXQKDWULML-UHFFFAOYSA-N
Hvpx____3194_55_6 =  2.5E+00                                  ! [atm] type: V, ref: 3586
Hvpx____3194_55_6 =  2.5E+00                                  ! [atm] type: V, ref: 3088
Hvpx____3194_55_6 =  3.4E+01                                  ! [atm] type: V, ref: 3088
Hvpx____3194_55_6 =  4.2E+01                                  ! [atm] type: Q, ref: 3586
Hvpx____3194_55_6 =  9.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____3194_55_6 =  3.2E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____3194_55_6 =  9.6E-05                                  ! [atm] type: Q, ref: 2995
Hvpx____3194_55_6 =  8.3E-02                                  ! [atm] type: Q, ref: 2995

! species:  vinyl bromide
! formula:  C_2H_3Br
! trivial:  
! casrn:    593-60-2
! inchikey: INLLPKCGLOXCIV-UHFFFAOYSA-N
Hvpx_____593_60_2 =  7.7E+02                                  ! [atm] type: Q, ref: 3088
Hvpx_____593_60_2 =  6.8E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____593_60_2 =  7.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____593_60_2 =  1.1E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____593_60_2 =  6.6E+02                                  ! [atm] type: Q, ref: 2995

! species:  1,2-dibromoethene
! formula:  C_2H_2Br_2
! trivial:  
! casrn:    540-49-8
! inchikey: UWTUEMKLYAGTNQ-UHFFFAOYSA-N
Hvpx_____540_49_8 =  4.7E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____540_49_8 =  4.7E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____540_49_8 =  1.1E+02                                  ! [atm] type: Q, ref: 3586

! species:  ($Z$)-1,2-dibromoethene
! formula:  C_2H_2Br_2
! trivial:  {\it cis}-1,2-dibromoethene
! casrn:    590-11-4
! inchikey: UWTUEMKLYAGTNQ-UPHRSURJSA-N
Hvpx_____590_11_4 =  2.2E+02                                  ! [atm] type: Q, ref: 2535

! species:  3-bromo-1-propene
! formula:  C_3H_5Br
! trivial:  allyl bromide
! casrn:    106-95-6
! inchikey: BHELZAPQIKSEDF-UHFFFAOYSA-N
Hvpx_____106_95_6 =  3.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____106_95_6 =  6.1E+02                                  ! [atm] type: Q, ref: 3088
Hvpx_____106_95_6 =  1.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____106_95_6 =  3.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____106_95_6 =  6.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_95_6 =  2.1E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_95_6 =  5.3E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____106_95_6 =  3.2E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____106_95_6 =  3.3E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____106_95_6 =  3.2E+02                                  ! [atm] type: ?, ref: 1500

! species:  3-bromo-1-propyne
! formula:  C_3H_3Br
! trivial:  propargyl bromide
! casrn:    106-96-7
! inchikey: YORCIIVHUBAYBQ-UHFFFAOYSA-N
Hvpx_____106_96_7 =  6.2E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1330
Hvpx_____106_96_7 =  3.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____106_96_7 =  6.5E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_96_7 =  6.3E+01                                  ! [atm] type: ?, ref: 3586

! species:  1-bromocyclohexene
! formula:  C_6H_9Br
! trivial:  
! casrn:    2044-08-8
! inchikey: QBUMXSSCYUMVAW-UHFFFAOYSA-N
Hvpx____2044_08_8 =  2.7E+02                                  ! [atm] type: Q, ref: 2521

! species:  1-bromo-4-methylcyclohexene
! formula:  C_7H_{11}Br
! trivial:  
! casrn:    31053-84-6
! inchikey: LIUFYLLBQSSKQS-UHFFFAOYSA-N
Hvpx___31053_84_6 =  3.8E+02                                  ! [atm] type: Q, ref: 2521

! species:  bromobenzene
! formula:  C_6H_5Br
! trivial:  
! casrn:    108-86-1
! inchikey: QARVLSVVCXYDNA-UHFFFAOYSA-N
Hvpx_____108_86_1 =  1.3E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____108_86_1 =  1.1E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____108_86_1 =  1.1E+02                                  ! [atm] type: L, ref: 479
Hvpx_____108_86_1 =  9.2E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____108_86_1 =  1.4E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2982
Hvpx_____108_86_1 =  1.1E+02                                  ! [atm] type: M, ref: 2950
Hvpx_____108_86_1 =  1.4E+02                                  ! [atm] type: M, ref: 2339
Hvpx_____108_86_1 =  9.0E+01                                  ! [atm] type: M, ref: 2450
Hvpx_____108_86_1 =  1.1E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____108_86_1 =  1.0E+02 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 903
Hvpx_____108_86_1 =  1.2E+02                                  ! [atm] type: M, ref: 2457
Hvpx_____108_86_1 =  1.3E+02                                  ! [atm] type: M, ref: 479
Hvpx_____108_86_1 =  1.2E+02                                  ! [atm] type: V, ref: 2339
Hvpx_____108_86_1 =  1.2E+02                                  ! [atm] type: V, ref: 635
Hvpx_____108_86_1 =  1.1E+02                                  ! [atm] type: V, ref: 2439
Hvpx_____108_86_1 =  1.2E+02                                  ! [atm] type: V, ref: 642
Hvpx_____108_86_1 =  1.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_86_1 =  1.2E+02                                  ! [atm] type: C, ref: 3088
Hvpx_____108_86_1 =  1.4E+02                                  ! [atm] type: C, ref: 2165
Hvpx_____108_86_1 =  7.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____108_86_1 =  7.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_86_1 =  1.7E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____108_86_1 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_86_1 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_86_1 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_86_1 =  1.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_86_1 =  1.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_86_1 =  7.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_86_1 =  1.3E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_86_1 =  1.3E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_86_1 =  1.0E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_86_1 =  1.9E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_86_1 =  1.1E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_86_1 =  7.4E+01                                  ! [atm] type: Q, ref: 2482
Hvpx_____108_86_1 =  1.4E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____108_86_1 =  1.2E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____108_86_1 =  1.2E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____108_86_1 =  1.2E+02                                  ! [atm] type: ?, ref: 1500

! species:  bromobenzene-d5
! formula:  C_6D_5Br
! trivial:  
! casrn:    4165-57-5
! inchikey: QARVLSVVCXYDNA-RALIUCGRSA-N
Hvpx____4165_57_5 =  8.4E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  1,2-dibromobenzene
! formula:  C_6H_4Br_2
! trivial:  
! casrn:    583-53-9
! inchikey: WQONPSCCEXUXTQ-UHFFFAOYSA-N
Hvpx_____583_53_9 =  5.7E+01                                  ! [atm] type: V, ref: 2165

! species:  1,3-dibromobenzene
! formula:  C_6H_4Br_2
! trivial:  
! casrn:    108-36-1
! inchikey: JSRLURSZEMLAFO-UHFFFAOYSA-N
Hvpx_____108_36_1 =  4.7E+01                                  ! [atm] type: L, ref: 3518
Hvpx_____108_36_1 =  6.9E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____108_36_1 =  1.1E+02                                  ! [atm] type: V, ref: 479
Hvpx_____108_36_1 =  4.7E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____108_36_1 =  7.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_36_1 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_36_1 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_36_1 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____108_36_1 =  4.6E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____108_36_1 =  6.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_36_1 =  8.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_36_1 =  7.8E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____108_36_1 =  1.3E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_36_1 =  4.7E+01                                  ! [atm] type: ?, ref: 2440

! species:  1,4-dibromobenzene
! formula:  C_6H_4Br_2
! trivial:  
! casrn:    106-37-6
! inchikey: SWJPEBQEEAHIGZ-UHFFFAOYSA-N
Hvpx_____106_37_6 =  5.8E+01                                  ! [atm] type: M, ref: 1932
Hvpx_____106_37_6 =  4.9E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____106_37_6 =  4.9E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____106_37_6 =  1.3E+02                                  ! [atm] type: V, ref: 2165
Hvpx_____106_37_6 =  1.1E+02                                  ! [atm] type: V, ref: 479
Hvpx_____106_37_6 =  2.8E+01                                  ! [atm] type: V, ref: 642
Hvpx_____106_37_6 =  4.9E+01                                  ! [atm] type: C, ref: 1932
Hvpx_____106_37_6 =  7.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_37_6 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_37_6 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_37_6 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_37_6 =  4.5E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_37_6 =  5.3E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_37_6 =  1.2E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_37_6 =  1.3E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_37_6 =  2.2E+01                                  ! [atm] type: Q, ref: 2482

! species:  1,2,4-tribromobenzene
! formula:  C_6H_3Br_3
! trivial:  
! casrn:    615-54-3
! inchikey: FWAJPSIPOULHHH-UHFFFAOYSA-N
Hvpx_____615_54_3 =  1.7E+01                                  ! [atm] type: M, ref: 1932
Hvpx_____615_54_3 =  1.9E+01                                  ! [atm] type: C, ref: 1932
Hvpx_____615_54_3 =  3.0E+01                                  ! [atm] type: Q, ref: 2521

! species:  1,3,5-tribromobenzene
! formula:  C_6H_3Br_3
! trivial:  
! casrn:    626-39-1
! inchikey: YWDUZLFWHVQCHY-UHFFFAOYSA-N
Hvpx_____626_39_1 =  4.3E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____626_39_1 =  9.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____626_39_1 =  1.9E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____626_39_1 =  1.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____626_39_1 =  2.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____626_39_1 =  2.1E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____626_39_1 =  1.1E+00                                  ! [atm] type: Q, ref: 3764

! species:  1,2,4,5-tetrabromobenzene
! formula:  C_6H_2Br_4
! trivial:  
! casrn:    636-28-2
! inchikey: QCKHVNQHBOGZER-UHFFFAOYSA-N
Hvpx_____636_28_2 =  2.1E+02                                  ! [atm] type: M, ref: 1932
Hvpx_____636_28_2 =  2.8E+01                                  ! [atm] type: Q, ref: 2521

! species:  hexabromobenzene
! formula:  C_6Br_6
! trivial:  
! casrn:    87-82-1
! inchikey: CAYGQBVSOZLICD-UHFFFAOYSA-N
Hvpx______87_82_1 =  5.9E+00                                  ! [atm] type: M, ref: 1932
Hvpx______87_82_1 =  1.3E+00                                  ! [atm] type: V, ref: 3024
Hvpx______87_82_1 =  7.6E-02                                  ! [atm] type: V, ref: 2494
Hvpx______87_82_1 =  1.5E+00                                  ! [atm] type: Q, ref: 3088
Hvpx______87_82_1 =  1.4E+00                                  ! [atm] type: Q, ref: 2990
Hvpx______87_82_1 =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______87_82_1 =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______87_82_1 =  9.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______87_82_1 =  8.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______87_82_1 =  4.5E+01                                  ! [atm] type: Q, ref: 2521

! species:  (bromomethyl)-benzene
! formula:  C_7H_7Br
! trivial:  benzyl bromide
! casrn:    100-39-0
! inchikey: AGEZXYOZHKGVCM-UHFFFAOYSA-N
Hvpx_____100_39_0 =  3.8E+02                                  ! [atm] type: Q, ref: 3088
Hvpx_____100_39_0 =  1.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_39_0 =  2.5E+01                                  ! [atm] type: ?, ref: 1500

! species:  $p$-bromobenzyl bromide
! formula:  C_7H_6Br_2
! trivial:  
! casrn:    589-15-1
! inchikey: YLRBJYMANQKEAW-UHFFFAOYSA-N
Hvpx_____589_15_1 =  1.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____589_15_1 =  2.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____589_15_1 =  2.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____589_15_1 =  2.3E+01                                  ! [atm] type: Q, ref: 2995

! species:  1-bromo-2-methylbenzene
! formula:  BrC_6H_4CH_3
! trivial:  $o$-bromotoluene
! casrn:    95-46-5
! inchikey: QSSXJPIWXQTSIX-UHFFFAOYSA-N
Hvpx______95_46_5 =  1.3E+02                                  ! [atm] type: Q, ref: 3088
Hvpx______95_46_5 =  1.0E+02                                  ! [atm] type: Q, ref: 2521

! species:  1-bromo-3-methylbenzene
! formula:  BrC_6H_4CH_3
! trivial:  $m$-bromotoluene
! casrn:    591-17-3
! inchikey: WJIFKOVZNJTSGO-UHFFFAOYSA-N
Hvpx_____591_17_3 =  3.7E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____591_17_3 =  3.7E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____591_17_3 =  1.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____591_17_3 =  1.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____591_17_3 =  1.1E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____591_17_3 =  3.7E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____591_17_3 =  6.9E+01                                  ! [atm] type: Q, ref: 3764

! species:  1-bromo-4-methylbenzene
! formula:  BrC_6H_4CH_3
! trivial:  $p$-bromotoluene
! casrn:    106-38-7
! inchikey: ZBTMRBYMKUEVEU-UHFFFAOYSA-N
Hvpx_____106_38_7 =  1.5E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____106_38_7 =  1.6E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2926
Hvpx_____106_38_7 =  1.3E+02                                  ! [atm] type: V, ref: 642
Hvpx_____106_38_7 =  1.0E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____106_38_7 =  1.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_38_7 =  1.3E+02                                  ! [atm] type: Q, ref: 3689
Hvpx_____106_38_7 =  9.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_38_7 =  1.0E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_38_7 =  1.2E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_38_7 =  1.6E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_38_7 =  6.8E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_38_7 =  1.1E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____106_38_7 =  1.5E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____106_38_7 =  1.1E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____106_38_7 =  1.3E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____106_38_7 =  1.3E+02                                  ! [atm] type: ?, ref: 1500

! species:  3,5-dibromotoluene
! formula:  C_7H_6Br_2
! trivial:  
! casrn:    1611-92-3
! inchikey: DPKKOVGCHDUSAI-UHFFFAOYSA-N
Hvpx____1611_92_3 =  3.1E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  pentabromotoluene
! formula:  C_7H_3Br_5
! trivial:  
! casrn:    87-83-2
! inchikey: OZHJEQVYCBTHJT-UHFFFAOYSA-N
Hvpx______87_83_2 =  1.4E+00                                  ! [atm] type: Q, ref: 2990

! species:  1-bromo-2-ethylbenzene
! formula:  C_8H_9Br
! trivial:  
! casrn:    1973-22-4
! inchikey: HVRUGFJYCAFAAN-UHFFFAOYSA-N
Hvpx____1973_22_4 =  1.8E+02                                  ! [atm] type: V, ref: 642
Hvpx____1973_22_4 =  1.3E+02                                  ! [atm] type: Q, ref: 2521
Hvpx____1973_22_4 =  2.0E+02                                  ! [atm] type: Q, ref: 2543
Hvpx____1973_22_4 =  1.9E+02                                  ! [atm] type: Q, ref: 1162
Hvpx____1973_22_4 =  1.2E+02                                  ! [atm] type: Q, ref: 2482

! species:  1-bromo-4-ethylbenzene
! formula:  C_8H_9Br
! trivial:  
! casrn:    1585-07-5
! inchikey: URFPRAHGGBYNPW-UHFFFAOYSA-N
Hvpx____1585_07_5 =  1.7E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____1585_07_5 =  8.9E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1585_07_5 =  1.3E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____1585_07_5 =  1.1E+02                                  ! [atm] type: Q, ref: 2995

! species:  1-(bromomethyl)-2-methylbenzene
! formula:  C_8H_9Br
! trivial:  $o$-xylyl bromide
! casrn:    89-92-9
! inchikey: WGVYCXYGPNNUQA-UHFFFAOYSA-N
Hvpx______89_92_9 =  4.2E+01                                  ! [atm] type: Q, ref: 3088

! species:  1-(bromomethyl)-3-methylbenzene
! formula:  C_8H_9Br
! trivial:  $m$-xylyl bromide
! casrn:    620-13-3
! inchikey: FWLWTILKTABGKQ-UHFFFAOYSA-N
Hvpx_____620_13_3 =  4.2E+01                                  ! [atm] type: Q, ref: 3088

! species:  1-(bromomethyl)-4-methylbenzene
! formula:  C_8H_9Br
! trivial:  $p$-xylyl bromide
! casrn:    104-81-4
! inchikey: WZRKSPFYXUXINF-UHFFFAOYSA-N
Hvpx_____104_81_4 =  4.2E+01                                  ! [atm] type: Q, ref: 3088

! species:  (2-bromoethyl)-benzene
! formula:  C_8H_9Br
! trivial:  
! casrn:    103-63-9
! inchikey: WMPPDTMATNBGJN-UHFFFAOYSA-N
Hvpx_____103_63_9 =  8.4E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____103_63_9 =  8.4E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____103_63_9 =  7.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____103_63_9 =  2.4E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____103_63_9 =  8.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____103_63_9 =  4.2E+01                                  ! [atm] type: Q, ref: 3764

! species:  2-bromostyrene
! formula:  C_8H_7Br
! trivial:  
! casrn:    125904-11-2
! inchikey: SSZOCHFYWWVSAI-UHFFFAOYSA-N
Hvpx__125904_11_2 =  6.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx__125904_11_2 =  5.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx__125904_11_2 =  7.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx__125904_11_2 =  3.7E+01                                  ! [atm] type: Q, ref: 2995

! species:  (2-bromoethenyl)benzene
! formula:  C_8H_7Br
! trivial:  
! casrn:    103-64-0
! inchikey: YMOONIIMQBGTDU-VOTSOKGWSA-N
Hvpx_____103_64_0 =  3.0E+01                                  ! [atm] type: Q, ref: 3088

! species:  2,3,4,5,6-pentabromoethylbenzene
! formula:  C_8H_5Br_5
! trivial:  
! casrn:    85-22-3
! inchikey: FIAXCDIQXHJNIX-UHFFFAOYSA-N
Hvpx______85_22_3 =  4.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______85_22_3 =  1.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______85_22_3 =  1.7E+01                                  ! [atm] type: Q, ref: 2995
Hvpx______85_22_3 =  5.6E+00                                  ! [atm] type: Q, ref: 2995

! species:  1-bromo-2-(2-propyl)-benzene
! formula:  BrC_6H_4C_3H_7
! trivial:  $o$-bromocumene
! casrn:    7073-94-1
! inchikey: LECYCYNAEJDSIL-UHFFFAOYSA-N
Hvpx____7073_94_1 =  3.2E+02                                  ! [atm] type: V, ref: 642
Hvpx____7073_94_1 =  2.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx____7073_94_1 =  2.8E+02                                  ! [atm] type: Q, ref: 1162
Hvpx____7073_94_1 =  1.7E+02                                  ! [atm] type: Q, ref: 2482

! species:  1-bromonaphthalene
! formula:  C_{10}H_7Br
! trivial:  
! casrn:    90-11-9
! inchikey: DLKQHBOKULLWDQ-UHFFFAOYSA-N
Hvpx______90_11_9 =  1.6E+01                                  ! [atm] type: V, ref: 3586
Hvpx______90_11_9 =  1.1E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______90_11_9 =  1.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______90_11_9 =  1.1E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______90_11_9 =  6.6E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______90_11_9 =  1.5E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______90_11_9 =  3.0E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______90_11_9 =  1.6E+01                                  ! [atm] type: ?, ref: 2440

! species:  2-bromonaphthalene
! formula:  C_{10}H_7Br
! trivial:  
! casrn:    580-13-2
! inchikey: APSMUYYLXZULMS-UHFFFAOYSA-N
Hvpx_____580_13_2 =  1.3E+01                                  ! [atm] type: ?, ref: 3766

! species:  1,4-dibromonaphthalene
! formula:  C_{10}H_6Br_2
! trivial:  
! casrn:    83-53-4
! inchikey: IBGUDZMIAZLJNY-UHFFFAOYSA-N
Hvpx______83_53_4 =  9.4E+00                                  ! [atm] type: ?, ref: 3766

! species:  decabromobiphenyl
! formula:  C_{12}Br_{10}
! trivial:  
! casrn:    13654-09-6
! inchikey: AQPHBYQUCKHJLT-UHFFFAOYSA-N
Hvpx___13654_09_6 =  2.3E-03                                  ! [atm] type: Q, ref: 3088
Hvpx___13654_09_6 =  2.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___13654_09_6 =  1.8E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___13654_09_6 =  2.4E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___13654_09_6 =  1.1E-03                                  ! [atm] type: Q, ref: 2995

! species:  4-bromo-1,1'-biphenyl
! formula:  C_{12}H_9Br
! trivial:  
! casrn:    92-66-0
! inchikey: PKJBWOWQJHHAHG-UHFFFAOYSA-N
Hvpx______92_66_0 =  9.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______92_66_0 =  8.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______92_66_0 =  3.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx______92_66_0 =  1.6E+00                                  ! [atm] type: Q, ref: 2995

! species:  octabromobiphenyl
! formula:  C_{12}H_2Br_8
! trivial:  
! casrn:    27858-07-7
! inchikey: NDRKXFLZSRHAJE-UHFFFAOYSA-N
Hvpx___27858_07_7 =  1.3E-04                                  ! [atm] type: V, ref: 3088

! species:  2,2',4,4',5,5'-hexabromobiphenyl
! formula:  C_{12}H_4Br_6
! trivial:  
! casrn:    59080-40-9
! inchikey: HMBBJSKXDBUNNT-UHFFFAOYSA-N
Hvpx___59080_40_9 =  2.4E-01                                  ! [atm] type: V, ref: 3088

! species:  1,2-bis(pentabromophenyl) ethane
! formula:  C_{14}H_4Br_{10}
! trivial:  
! casrn:    84852-53-9
! inchikey: BZQKBFHEWDPQHD-UHFFFAOYSA-N
Hvpx___84852_53_9 =  3.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___84852_53_9 =  6.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___84852_53_9 =  6.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___84852_53_9 =  3.2E-03                                  ! [atm] type: Q, ref: 2995

! species:  1,3,6,8-tetrabromopyrene
! formula:  C_{16}H_6Br_4
! trivial:  
! casrn:    128-63-2
! inchikey: ZKBKRTZIYOKNRG-UHFFFAOYSA-N
Hvpx_____128_63_2 =  1.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____128_63_2 =  1.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____128_63_2 =  8.7E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____128_63_2 =  8.3E-03                                  ! [atm] type: Q, ref: 2995

! species:  6-bromobenzo[$a$]pyrene
! formula:  C_{20}H_{11}Br
! trivial:  
! casrn:    21248-00-0
! inchikey: MJSYSGSEEADMTK-UHFFFAOYSA-N
Hvpx___21248_00_0 =  4.7E-03                                  ! [atm] type: Q, ref: 3088

! species:  bromomethanol
! formula:  CH_2BrOH
! trivial:  
! casrn:    50398-29-3
! inchikey: OEDMOCYNWLHUDP-UHFFFAOYSA-N
Hvpx___50398_29_3 =  1.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx___50398_29_3 =  1.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx___50398_29_3 =  2.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx___50398_29_3 =  2.8E-02                                  ! [atm] type: Q, ref: 2927

! species:  dibromomethanol
! formula:  CHBr_2OH
! trivial:  
! casrn:    166600-78-8
! inchikey: WICMSCLXMMZMFF-UHFFFAOYSA-N
Hvpx__166600_78_8 =  3.2E-03                                  ! [atm] type: Q, ref: 2927

! species:  tribromomethanol
! formula:  CBr_3OH
! trivial:  
! casrn:    5405-30-1
! inchikey: ACRXLLXANWELLX-UHFFFAOYSA-N
Hvpx____5405_30_1 =  3.7E-04                                  ! [atm] type: Q, ref: 2927

! species:  formyl bromide
! formula:  CHBrO
! trivial:  
! casrn:    7726-11-6
! inchikey: AIFARXRIYKCEEV-UHFFFAOYSA-N
Hvpx____7726_11_6 =  1.2E+00                                  ! [atm] type: Q, ref: 3409
Hvpx____7726_11_6 =  1.7E+01                                  ! [atm] type: Q, ref: 3409
Hvpx____7726_11_6 =  1.5E+02                                  ! [atm] type: Q, ref: 3409
Hvpx____7726_11_6 =  7.5E-01                                  ! [atm] type: Q, ref: 2927

! species:  carbonyl bromide
! formula:  CBr_2O
! trivial:  
! casrn:    593-95-3
! inchikey: MOIPGXQKZSZOQX-UHFFFAOYSA-N
Hvpx_____593_95_3 =  2.6E+00                                  ! [atm] type: Q, ref: 2927

! species:  bromomethyl peroxide
! formula:  CH_2BrO_2H
! trivial:  
! casrn:    UNKNOWN
! inchikey: WXVCUAGYVVWQBP-UHFFFAOYSA-N
Hvpx_WXVCUAGYVVWQBP_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WXVCUAGYVVWQBP_UHFFFAOYSA_N =  4.1E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_WXVCUAGYVVWQBP_UHFFFAOYSA_N =  1.8E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_WXVCUAGYVVWQBP_UHFFFAOYSA_N =  2.1E-02                                  ! [atm] type: Q, ref: 2927

! species:  dibromomethyl peroxide
! formula:  CHBr_2O_2H
! trivial:  
! casrn:    UNKNOWN
! inchikey: JBKQCSQVMCXDPZ-UHFFFAOYSA-N
Hvpx_JBKQCSQVMCXDPZ_UHFFFAOYSA_N =  2.5E-03                                  ! [atm] type: Q, ref: 2927

! species:  tribromomethyl peroxide
! formula:  CBr_3O_2H
! trivial:  
! casrn:    UNKNOWN
! inchikey: WJYKCADCZNTKBI-UHFFFAOYSA-N
Hvpx_WJYKCADCZNTKBI_UHFFFAOYSA_N =  2.9E-04                                  ! [atm] type: Q, ref: 2927

! species:  bromoethanoic acid
! formula:  CH_2BrCOOH
! trivial:  bromoacetic acid
! casrn:    79-08-3
! inchikey: KDPAWGWELVVRCH-UHFFFAOYSA-N
Hvpx______79_08_3 =  3.7E-04 * EXP(  -9300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______79_08_3 =  3.7E-04 * EXP(  -9300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______79_08_3 =  3.7E-04 * EXP(  -9300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______79_08_3 =  3.6E-04 * EXP(  -9300.*(1./T-1./298.15)) ! [atm] type: M, ref: 896
Hvpx______79_08_3 =  9.8E-04                                  ! [atm] type: Q, ref: 3730
Hvpx______79_08_3 =  3.8E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______79_08_3 =  1.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______79_08_3 =  9.7E-05                                  ! [atm] type: Q, ref: 3409
Hvpx______79_08_3 =  9.9E-04                                  ! [atm] type: Q, ref: 3409
Hvpx______79_08_3 =  2.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______79_08_3 =  2.2E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______79_08_3 =  3.5E-03                                  ! [atm] type: Q, ref: 2546
Hvpx______79_08_3 =  3.6E-04                                  ! [atm] type: ?, ref: 3586

! species:  dibromoethanoic acid
! formula:  CHBr_2COOH
! trivial:  dibromoacetic acid
! casrn:    631-64-1
! inchikey: SIEILFNCEFEENQ-UHFFFAOYSA-N
Hvpx_____631_64_1 =  2.4E-04 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____631_64_1 =  2.4E-04 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____631_64_1 =  2.4E-04 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____631_64_1 =  2.5E-04 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: M, ref: 896
Hvpx_____631_64_1 =  9.8E-04                                  ! [atm] type: Q, ref: 3730
Hvpx_____631_64_1 =  1.1E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____631_64_1 =  1.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____631_64_1 =  8.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____631_64_1 =  4.4E-04                                  ! [atm] type: Q, ref: 2546
Hvpx_____631_64_1 =  2.4E-04                                  ! [atm] type: ?, ref: 3586

! species:  tribromoethanoic acid
! formula:  CBr_3COOH
! trivial:  tribromoacetic acid
! casrn:    75-96-7
! inchikey: QIONYIKHPASLHO-UHFFFAOYSA-N
Hvpx______75_96_7 =  1.8E-04 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_96_7 =  1.8E-04 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_96_7 =  1.8E-04 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_96_7 =  1.9E-04 * EXP(  -9000.*(1./T-1./298.15)) ! [atm] type: M, ref: 896
Hvpx______75_96_7 =  9.8E-04                                  ! [atm] type: Q, ref: 3730
Hvpx______75_96_7 =  1.6E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______75_96_7 =  2.8E-04                                  ! [atm] type: Q, ref: 2546
Hvpx______75_96_7 =  5.5E-02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_96_7 =  4.4E-05                                  ! [atm] type: Q, ref: 2546
Hvpx______75_96_7 =  1.8E-04                                  ! [atm] type: ?, ref: 3586

! species:  MCM:BRETO3H
! formula:  C_2H_3O_3Br
! trivial:  
! casrn:    UNKNOWN
! inchikey: RGXORGOPJDPEIK-UHFFFAOYSA-N
Hvpx_RGXORGOPJDPEIK_UHFFFAOYSA_N =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RGXORGOPJDPEIK_UHFFFAOYSA_N =  3.8E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_RGXORGOPJDPEIK_UHFFFAOYSA_N =  5.6E-01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DIBRETO2H
! formula:  C_2H_4O_2Br_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZXSZEFURCAPOPD-UHFFFAOYSA-N
Hvpx_ZXSZEFURCAPOPD_UHFFFAOYSA_N =  1.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZXSZEFURCAPOPD_UHFFFAOYSA_N =  2.4E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZXSZEFURCAPOPD_UHFFFAOYSA_N =  5.7E-03                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DIBRETOH
! formula:  C_2H_4OBr_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: IYJYRKYSUOTLAE-UHFFFAOYSA-N
Hvpx_IYJYRKYSUOTLAE_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IYJYRKYSUOTLAE_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_IYJYRKYSUOTLAE_UHFFFAOYSA_N =  3.3E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:BRETAL
! formula:  C_2H_3OBr
! trivial:  
! casrn:    UNKNOWN
! inchikey: NMPVEAUIHMEAQP-UHFFFAOYSA-N
Hvpx_NMPVEAUIHMEAQP_UHFFFAOYSA_N =  1.3E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_NMPVEAUIHMEAQP_UHFFFAOYSA_N =  9.1E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_NMPVEAUIHMEAQP_UHFFFAOYSA_N =  2.2E+00                                  ! [atm] type: Q, ref: 3409

! species:  3-bromopropanol
! formula:  C_3H_7BrO
! trivial:  
! casrn:    627-18-9
! inchikey: RQFUZUMFPRMVDX-UHFFFAOYSA-N
Hvpx_____627_18_9 =  6.7E-02                                  ! [atm] type: Q, ref: 2530

! species:  2,3-dibromopropanol
! formula:  C_3H_6Br_2O
! trivial:  
! casrn:    96-13-9
! inchikey: QWVCIORZLNBIIC-UHFFFAOYSA-N
Hvpx______96_13_9 =  3.5E-03                                  ! [atm] type: Q, ref: 3088
Hvpx______96_13_9 =  3.5E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______96_13_9 =  4.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______96_13_9 =  4.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______96_13_9 =  4.0E-02                                  ! [atm] type: Q, ref: 2995

! species:  bromoacetone
! formula:  C_3H_5BrO
! trivial:  
! casrn:    598-31-2
! inchikey: VQFAIAKCILWQPZ-UHFFFAOYSA-N
Hvpx_____598_31_2 =  3.2E-01                                  ! [atm] type: Q, ref: 3088

! species:  (bromomethyl)oxirane
! formula:  C_3H_5BrO
! trivial:  epibromohydrin
! casrn:    3132-64-7
! inchikey: GKIPXFAANLTWBM-UHFFFAOYSA-N
Hvpx____3132_64_7 =  1.3E-01                                  ! [atm] type: Q, ref: 3088

! species:  2,3-dibromobutane-1,4-diol
! formula:  C_4H_8Br_2O_2
! trivial:  
! casrn:    90801-18-6
! inchikey: OXYNQEOLHRWEPE-QWWZWVQMSA-N
Hvpx___90801_18_6 =  1.7E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___90801_18_6 =  5.4E-06                                  ! [atm] type: Q, ref: 2995
Hvpx___90801_18_6 =  3.6E-07                                  ! [atm] type: Q, ref: 2995
Hvpx___90801_18_6 =  1.2E-05                                  ! [atm] type: Q, ref: 2995

! species:  bromoacetic acid, ethyl ester
! formula:  C_4H_7BrO_2
! trivial:  
! casrn:    105-36-2
! inchikey: PQJJJMRNHATNKG-UHFFFAOYSA-N
Hvpx_____105_36_2 =  1.5E+00                                  ! [atm] type: Q, ref: 3088

! species:  brometone
! formula:  C_4H_7Br_3O
! trivial:  1,1,1-tribromo-2-methyl-2-propanol
! casrn:    76-08-4
! inchikey: JUGRTVJQTFZHOM-UHFFFAOYSA-N
Hvpx______76_08_4 =  5.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  2,2-bis(bromomethyl)-1,3-propanediol
! formula:  C_5H_{10}Br_2O_2
! trivial:  
! casrn:    3296-90-0
! inchikey: CHUGKEQJSLOLHL-UHFFFAOYSA-N
Hvpx____3296_90_0 =  2.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  trisbromoneopentyl alcohol
! formula:  C_5H_9Br_3O
! trivial:  
! casrn:    36483-57-5
! inchikey: HQWKMYFWGMCJSW-UHFFFAOYSA-N
Hvpx___36483_57_5 =  7.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___36483_57_5 =  7.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___36483_57_5 =  5.1E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___36483_57_5 =  5.3E-01                                  ! [atm] type: Q, ref: 2995

! species:  2-bromophenol
! formula:  HOC_6H_4Br
! trivial:  
! casrn:    95-56-7
! inchikey: VADKRMSMGWJZCF-UHFFFAOYSA-N
Hvpx______95_56_7 =  1.2E-02                                  ! [atm] type: Q, ref: 3088
Hvpx______95_56_7 =  1.3E-01                                  ! [atm] type: Q, ref: 2521

! species:  3-bromophenol
! formula:  HOC_6H_4Br
! trivial:  
! casrn:    591-20-8
! inchikey: MNOJRWOWILAHAV-UHFFFAOYSA-N
Hvpx_____591_20_8 =  1.2E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____591_20_8 =  2.4E-02                                  ! [atm] type: Q, ref: 2521

! species:  4-bromophenol
! formula:  HOC_6H_4Br
! trivial:  
! casrn:    106-41-2
! inchikey: GZFGOTFRPZRKDS-UHFFFAOYSA-N
Hvpx_____106_41_2 =  8.2E-03                                  ! [atm] type: R, ref: 1501
Hvpx_____106_41_2 =  8.0E-03 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: T, ref: 724
Hvpx_____106_41_2 =  1.3E-01                                  ! [atm] type: Q, ref: 3730
Hvpx_____106_41_2 =  3.7E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_41_2 =  8.3E-03                                  ! [atm] type: Q, ref: 3689
Hvpx_____106_41_2 =  2.8E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_41_2 =  2.2E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_41_2 =  1.1E-02                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_41_2 =  3.3E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_41_2 =  2.4E-02                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_41_2 =  8.3E-03                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_41_2 =  1.6E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____106_41_2 =  4.1E-03                                  ! [atm] type: Q, ref: 3764
Hvpx_____106_41_2 =  1.8E-03                                  ! [atm] type: Q, ref: 984
Hvpx_____106_41_2 =  1.7E-02                                  ! [atm] type: Q, ref: 2482
Hvpx_____106_41_2 =  8.4E-03                                  ! [atm] type: ?, ref: 3586
Hvpx_____106_41_2 =  8.0E-03                                  ! [atm] type: ?, ref: 1500

! species:  2,4-dibromophenol
! formula:  C_6H_4Br_2O
! trivial:  
! casrn:    615-58-7
! inchikey: FAXWFCTVSHEODL-UHFFFAOYSA-N
Hvpx_____615_58_7 =  4.9E-03                                  ! [atm] type: Q, ref: 3088

! species:  2,6-dibromophenol
! formula:  C_6H_4Br_2O
! trivial:  
! casrn:    608-33-3
! inchikey: SSIZLKDLDKIHEV-UHFFFAOYSA-N
Hvpx_____608_33_3 =  4.9E-03                                  ! [atm] type: Q, ref: 3088

! species:  2,4,6-tribromophenol
! formula:  C_6H_3Br_3O
! trivial:  
! casrn:    118-79-6
! inchikey: BSWWXRFVMJHFBN-UHFFFAOYSA-N
Hvpx_____118_79_6 =  2.7E-03                                  ! [atm] type: Q, ref: 3088
Hvpx_____118_79_6 =  2.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____118_79_6 =  3.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____118_79_6 =  8.7E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____118_79_6 =  7.1E-02                                  ! [atm] type: Q, ref: 2995

! species:  2,3,4,6-tetrabromophenol
! formula:  C_6H_2Br_4O
! trivial:  
! casrn:    14400-94-3
! inchikey: CXPJZISGVIVNEL-UHFFFAOYSA-N
Hvpx___14400_94_3 =  7.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  pentabromophenol
! formula:  C_6HBr_5O
! trivial:  
! casrn:    608-71-9
! inchikey: SVHOVVJFOWGYJO-UHFFFAOYSA-N
Hvpx_____608_71_9 =  3.1E-04                                  ! [atm] type: Q, ref: 3088
Hvpx_____608_71_9 =  3.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____608_71_9 =  4.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____608_71_9 =  2.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____608_71_9 =  4.1E-03                                  ! [atm] type: Q, ref: 2995

! species:  1-bromo-2-methoxybenzene
! formula:  C_7H_7BrO
! trivial:  2-bromoanisole
! casrn:    578-57-4
! inchikey: HTDQSWDEWGSAMN-UHFFFAOYSA-N
Hvpx_____578_57_4 =  1.9E+01                                  ! [atm] type: M, ref: 1524

! species:  1-bromo-3-methoxybenzene
! formula:  C_7H_7BrO
! trivial:  3-bromoanisole
! casrn:    2398-37-0
! inchikey: PLDWAJLZAAHOGG-UHFFFAOYSA-N
Hvpx____2398_37_0 =  7.6E+01                                  ! [atm] type: M, ref: 1524

! species:  1-bromo-4-methoxybenzene
! formula:  C_7H_7BrO
! trivial:  4-bromoanisole
! casrn:    104-92-7
! inchikey: QJPJQTDYNZXKQF-UHFFFAOYSA-N
Hvpx_____104_92_7 =  5.1E+01                                  ! [atm] type: M, ref: 1524

! species:  1,5-dibromo-2-methoxybenzene
! formula:  C_7H_6Br_2O
! trivial:  2,4-dibromoanisole
! casrn:    21702-84-1
! inchikey: XGXUGXPKRBQINS-UHFFFAOYSA-N
Hvpx___21702_84_1 =  6.8E+00                                  ! [atm] type: M, ref: 1524

! species:  1,3-dibromo-2-methoxybenzene
! formula:  C_7H_6Br_2O
! trivial:  2,6-dibromoanisole
! casrn:    38603-09-7
! inchikey: BMZVDHQOAJUZJL-UHFFFAOYSA-N
Hvpx___38603_09_7 =  1.5E+01                                  ! [atm] type: M, ref: 1524

! species:  1,2,3-tribromo-4-methoxybenzene
! formula:  C_7H_5Br_3O
! trivial:  2,3,4-tribromoanisole
! casrn:    95970-13-1
! inchikey: NKWYZAWFQZLPSU-UHFFFAOYSA-N
Hvpx___95970_13_1 =  5.5E+01                                  ! [atm] type: ?, ref: 3766

! species:  1,3,4-tribromo-2-methoxybenzene
! formula:  C_7H_5Br_3O
! trivial:  2,3,6-tribromoanisole
! casrn:    95970-19-7
! inchikey: XZYCSFIRWAPGJV-UHFFFAOYSA-N
Hvpx___95970_19_7 =  1.0E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3118

! species:  1,3,5-tribromo-2-methoxybenzene
! formula:  C_7H_5Br_3O
! trivial:  2,4,6-tribromoanisole
! casrn:    607-99-8
! inchikey: YXTRCOAFNXQTKL-UHFFFAOYSA-N
Hvpx_____607_99_8 =  2.8E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3118
Hvpx_____607_99_8 =  4.1E+01                                  ! [atm] type: M, ref: 1524
Hvpx_____607_99_8 =  1.7E+01                                  ! [atm] type: Q, ref: 3088

! species:  pentabromomethoxybenzene
! formula:  C_7H_3Br_5O
! trivial:  pentabromoanisole
! casrn:    1825-26-9
! inchikey: VEFNQGLEDJPUJF-UHFFFAOYSA-N
Hvpx____1825_26_9 =  5.4E-01                                  ! [atm] type: M, ref: 1524

! species:  1,3,5-tribromo-2-methoxy-4-methylbenzene
! formula:  C_8H_7Br_3O
! trivial:  
! casrn:    41424-36-6
! inchikey: NMPPAMFEYWGNCI-UHFFFAOYSA-N
Hvpx___41424_36_6 =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___41424_36_6 =  2.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___41424_36_6 =  1.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___41424_36_6 =  2.8E+00                                  ! [atm] type: Q, ref: 2995

! species:  4,5,6,7-tetrabromo-1,3-isobenzofurandione
! formula:  C_8Br_4O_3
! trivial:  
! casrn:    632-79-1
! inchikey: QHWKHLYUUZGSCW-UHFFFAOYSA-N
Hvpx_____632_79_1 =  8.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____632_79_1 =  1.2E-06                                  ! [atm] type: Q, ref: 2995
Hvpx_____632_79_1 =  2.2E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____632_79_1 =  6.8E-04                                  ! [atm] type: Q, ref: 2995

! species:  allyl 2,4,6-tribromophenyl ether
! formula:  C_9H_7Br_3O
! trivial:  
! casrn:    3278-89-5
! inchikey: RZLLIOPGUFOWOD-UHFFFAOYSA-N
Hvpx____3278_89_5 =  1.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____3278_89_5 =  4.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____3278_89_5 =  2.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____3278_89_5 =  8.7E-01                                  ! [atm] type: Q, ref: 2995

! species:  2,4-dibromo-6-methylphenyl glycidyl ether
! formula:  C_{10}H_{10}Br_2O_2
! trivial:  
! casrn:    75150-13-9
! inchikey: XQTJZNGNEJLXTR-UHFFFAOYSA-N
Hvpx___75150_13_9 =  6.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___75150_13_9 =  7.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___75150_13_9 =  1.1E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___75150_13_9 =  1.0E-01                                  ! [atm] type: Q, ref: 2995

! species:  2-(2,4,6-tribromophenoxy)ethyl acrylate
! formula:  C_{11}H_9Br_3O_3
! trivial:  
! casrn:    7347-19-5
! inchikey: AMBJXYFIMKHOQE-UHFFFAOYSA-N
Hvpx____7347_19_5 =  1.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____7347_19_5 =  3.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____7347_19_5 =  1.3E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____7347_19_5 =  4.2E-03                                  ! [atm] type: Q, ref: 2995

! species:  2,3,7,8-tetrabromodibenzo-$p$-dioxin
! formula:  C_{12}H_4Br_4O_2
! trivial:  
! casrn:    50585-41-6
! inchikey: JZLQUWSWOJPCAK-UHFFFAOYSA-N
Hvpx___50585_41_6 =  1.8E-01                                  ! [atm] type: ?, ref: 3766

! species:  octabromodibenzo-$p$-dioxin
! formula:  C_{12}Br_8O_2
! trivial:  
! casrn:    2170-45-8
! inchikey: XAHTWKGGNHXJRP-UHFFFAOYSA-N
Hvpx____2170_45_8 =  1.1E-02                                  ! [atm] type: ?, ref: 3766

! species:  4,4'-methylenebis(2,6-dibromophenol)
! formula:  C_{13}H_8Br_4O_2
! trivial:  
! casrn:    21825-03-6
! inchikey: WPZJSWWEEJJSIZ-UHFFFAOYSA-N
Hvpx___21825_03_6 =  7.3E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___21825_03_6 =  6.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___21825_03_6 =  4.3E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___21825_03_6 =  1.6E-04                                  ! [atm] type: Q, ref: 2995

! species:  1,1'-[1,2-ethanediylbis(oxy)]bis pentabromobenzene
! formula:  C_{14}H_4Br_{10}O_2
! trivial:  
! casrn:    61262-53-1
! inchikey: JJEPQBZQAGCZTH-UHFFFAOYSA-N
Hvpx___61262_53_1 =  1.0E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___61262_53_1 =  6.3E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___61262_53_1 =  2.5E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___61262_53_1 =  4.8E-04                                  ! [atm] type: Q, ref: 2995

! species:  4,4'-dibromobenzil
! formula:  C_{14}H_8Br_2O_2
! trivial:  
! casrn:    35578-47-3
! inchikey: NYCBYBDDECLFPE-UHFFFAOYSA-N
Hvpx___35578_47_3 =  6.8E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___35578_47_3 =  2.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___35578_47_3 =  2.8E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___35578_47_3 =  4.3E-06                                  ! [atm] type: Q, ref: 2995

! species:  1,2-bis(2,4,6-tribromophenoxy)ethane
! formula:  C_{14}H_8Br_6O_2
! trivial:  BTBPE
! casrn:    37853-59-1
! inchikey: YATIGPZCMOYEGE-UHFFFAOYSA-N
Hvpx___37853_59_1 =  3.0E-02                                  ! [atm] type: V, ref: 3024
Hvpx___37853_59_1 =  2.4E-02                                  ! [atm] type: Q, ref: 3088
Hvpx___37853_59_1 =  8.5E-03                                  ! [atm] type: Q, ref: 2990
Hvpx___37853_59_1 =  4.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___37853_59_1 =  7.4E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___37853_59_1 =  4.9E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___37853_59_1 =  5.3E-04                                  ! [atm] type: Q, ref: 2995

! species:  2-ethylhexyl-2,3,4,5-tetrabromobenzoate
! formula:  C_{15}H_{18}Br_4O_2
! trivial:  EHTeBB
! casrn:    183658-27-7
! inchikey: HVDXCGSGEQKWGB-UHFFFAOYSA-N
Hvpx__183658_27_7 =  3.4E-01                                  ! [atm] type: Q, ref: 2990

! species:  tribromobisphenol A
! formula:  C_{15}H_{13}Br_3O_2
! trivial:  
! casrn:    6386-73-8
! inchikey: WYBOEVJIVYIEJL-UHFFFAOYSA-N
Hvpx____6386_73_8 =  5.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  4,4'-(1-methylethylidene)bis(2,6-dibromophenol)
! formula:  C_{15}H_{12}Br_4O_2
! trivial:  
! casrn:    79-94-7
! inchikey: VEORPZCZECFIRK-UHFFFAOYSA-N
Hvpx______79_94_7 =  2.3E-03                                  ! [atm] type: V, ref: 3088
Hvpx______79_94_7 =  1.3E-08                                  ! [atm] type: Q, ref: 2995
Hvpx______79_94_7 =  1.4E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______79_94_7 =  6.8E-06                                  ! [atm] type: Q, ref: 2995
Hvpx______79_94_7 =  3.4E-04                                  ! [atm] type: Q, ref: 2995

! species:  4-[2-[2,6-bis(bromanyl)-4-oxidanyl-phenyl]propan-2-yl]-3,5-bis(bromanyl)phenol
! formula:  C_{15}H_{12}Br_4O_2
! trivial:  
! casrn:    94334-64-2
! inchikey: KIZJVNGSIWXYTL-UHFFFAOYSA-N
Hvpx___94334_64_2 =  1.3E-08                                  ! [atm] type: Q, ref: 2995
Hvpx___94334_64_2 =  2.8E-08                                  ! [atm] type: Q, ref: 2995
Hvpx___94334_64_2 =  2.5E-08                                  ! [atm] type: Q, ref: 2995
Hvpx___94334_64_2 =  3.2E-09                                  ! [atm] type: Q, ref: 2995

! species:  2-(2-hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalate
! formula:  C_{15}H_{16}Br_4O_7
! trivial:  
! casrn:    20566-35-2
! inchikey: OQHHASWHOGRCRC-UHFFFAOYSA-N
Hvpx___20566_35_2 =  1.5E-11                                  ! [atm] type: Q, ref: 2995
Hvpx___20566_35_2 =  3.6E-12                                  ! [atm] type: Q, ref: 2995
Hvpx___20566_35_2 =  1.7E-14                                  ! [atm] type: Q, ref: 2995
Hvpx___20566_35_2 =  9.6E-12                                  ! [atm] type: Q, ref: 2995

! species:  bromopropylate
! formula:  C_{17}H_{16}Br_2O_3
! trivial:  
! casrn:    18181-80-1
! inchikey: FOANIXZHAMJWOI-UHFFFAOYSA-N
Hvpx___18181_80_1 =  2.6E-02                                  ! [atm] type: V, ref: 3586
Hvpx___18181_80_1 =  2.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx___18181_80_1 =  1.3E-03                                  ! [atm] type: Q, ref: 3586

! species:  1,2,4,5-tetrabromo-3,6-bis(pentabromophenoxy)benzene
! formula:  C_{18}O_2Br_{14}
! trivial:  
! casrn:    58965-66-5
! inchikey: YMIUHIAWWDYGGU-UHFFFAOYSA-N
Hvpx___58965_66_5 =  3.6E-07                                  ! [atm] type: Q, ref: 2995
Hvpx___58965_66_5 =  1.3E-06                                  ! [atm] type: Q, ref: 2995
Hvpx___58965_66_5 =  2.6E-07                                  ! [atm] type: Q, ref: 2995
Hvpx___58965_66_5 =  8.2E-07                                  ! [atm] type: Q, ref: 2995

! species:  2,2-bis(3,5-dibromo-4-(2-hydroxyethoxy)phenyl)propane
! formula:  C_{19}H_{20}Br_4O_4
! trivial:  
! casrn:    4162-45-2
! inchikey: RVHUMFJSCJBNGS-UHFFFAOYSA-N
Hvpx____4162_45_2 =  9.8E-09                                  ! [atm] type: Q, ref: 2995
Hvpx____4162_45_2 =  3.6E-09                                  ! [atm] type: Q, ref: 2995
Hvpx____4162_45_2 =  8.9E-11                                  ! [atm] type: Q, ref: 2995
Hvpx____4162_45_2 =  2.1E-09                                  ! [atm] type: Q, ref: 2995

! species:  metrafenone
! formula:  C_{19}H_{21}BrO_5
! trivial:  
! casrn:    220899-03-6
! inchikey: AMSPWOYQQAWRRM-UHFFFAOYSA-N
Hvpx__220899_03_6 =  7.2E-02                                  ! [atm] type: ?, ref: 3549

! species:  solvent red 43
! formula:  C_{20}H_8Br_4O_5
! trivial:  
! casrn:    15086-94-9
! inchikey: DBZJJPROPLPMSN-UHFFFAOYSA-N
Hvpx___15086_94_9 =  1.2E-13                                  ! [atm] type: Q, ref: 2995
Hvpx___15086_94_9 =  3.6E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___15086_94_9 =  2.0E-11                                  ! [atm] type: Q, ref: 2995
Hvpx___15086_94_9 =  1.9E-09                                  ! [atm] type: Q, ref: 2995

! species:  2,2-bis[4-(2,3-dibromopropoxy)-3,5-dibromophenyl]-propane
! formula:  C_{21}H_{20}Br_8O_2
! trivial:  
! casrn:    21850-44-2
! inchikey: LXIZRZRTWSDLKK-UHFFFAOYSA-N
Hvpx___21850_44_2 =  2.2E-06                                  ! [atm] type: Q, ref: 2995
Hvpx___21850_44_2 =  1.4E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___21850_44_2 =  3.2E-06                                  ! [atm] type: Q, ref: 2995
Hvpx___21850_44_2 =  6.3E-06                                  ! [atm] type: Q, ref: 2995

! species:  2,2-bis(4-allyloxy-3,5-dibromophenyl)propane
! formula:  C_{21}H_{20}Br_4O_2
! trivial:  
! casrn:    25327-89-3
! inchikey: PWXTUWQHMIFLKL-UHFFFAOYSA-N
Hvpx___25327_89_3 =  7.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___25327_89_3 =  4.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___25327_89_3 =  3.2E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___25327_89_3 =  2.9E-03                                  ! [atm] type: Q, ref: 2995

! species:  AC1MJ2TG
! formula:  C_{21}H_{24}Br_4O_4
! trivial:  
! casrn:    33294-14-3
! inchikey: UTMWVHZWNKBNKF-UHFFFAOYSA-N
Hvpx___33294_14_3 =  4.2E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___33294_14_3 =  1.2E-07                                  ! [atm] type: Q, ref: 2995
Hvpx___33294_14_3 =  5.9E-08                                  ! [atm] type: Q, ref: 2995
Hvpx___33294_14_3 =  4.4E-07                                  ! [atm] type: Q, ref: 2995

! species:  tetrabromophenolphthalein, ethyl ester
! formula:  C_{22}H_{14}Br_4O_4
! trivial:  
! casrn:    1176-74-5
! inchikey: SQFXATUXPUCFFO-UHFFFAOYSA-N
Hvpx____1176_74_5 =  5.4E-12                                  ! [atm] type: Q, ref: 2995
Hvpx____1176_74_5 =  4.4E-08                                  ! [atm] type: Q, ref: 2995
Hvpx____1176_74_5 =  1.7E-11                                  ! [atm] type: Q, ref: 2995
Hvpx____1176_74_5 =  1.6E-09                                  ! [atm] type: Q, ref: 2995

! species:  4,10-dibromodibenzo[$def,mno$]\+chrysene-6,12-dione
! formula:  C_{22}H_8Br_2O_2
! trivial:  
! casrn:    4378-61-4
! inchikey: HTENFZMEHKCNMD-UHFFFAOYSA-N
Hvpx____4378_61_4 =  9.4E-08                                  ! [atm] type: Q, ref: 2995
Hvpx____4378_61_4 =  2.0E-06                                  ! [atm] type: Q, ref: 2995
Hvpx____4378_61_4 =  1.3E-07                                  ! [atm] type: Q, ref: 2995
Hvpx____4378_61_4 =  4.9E-09                                  ! [atm] type: Q, ref: 2995

! species:  bis(2-ethylhexyl)-3,4,5,6-tetrabromophthalate
! formula:  C_{24}H_{34}Br_4O_4
! trivial:  TBPH
! casrn:    26040-51-7
! inchikey: UUEDINPOVKWVAZ-UHFFFAOYSA-N
Hvpx___26040_51_7 =  1.4E-03                                  ! [atm] type: Q, ref: 2990

! species:  bromadiolone
! formula:  C_{30}H_{23}BrO_4
! trivial:  
! casrn:    28772-56-7
! inchikey: OWNRRUFOJXFKCU-UHFFFAOYSA-N
Hvpx___28772_56_7 =  4.9E-07                                  ! [atm] type: V, ref: 3088
Hvpx___28772_56_7 =  4.9E-07                                  ! [atm] type: ?, ref: 3549

! species:  brodifacoum
! formula:  C_{31}H_{23}BrO_3
! trivial:  
! casrn:    56073-10-0
! inchikey: VEUZZDOCACZPRY-UHFFFAOYSA-N
Hvpx___56073_10_0 =  1.2E-03                                  ! [atm] type: ?, ref: 3089

! species:  2-bromodiphenyl ether
! formula:  C_{12}H_9BrO
! trivial:  PBDE-1
! casrn:    36563-47-0
! inchikey: RRWFUWRLNIZICP-UHFFFAOYSA-N
Hvpx___36563_47_0 =  2.4E+01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3-bromodiphenyl ether
! formula:  C_{12}H_9BrO
! trivial:  PBDE-2
! casrn:    6876-00-2
! inchikey: AHDAKFFMKLQPTD-UHFFFAOYSA-N
Hvpx____6876_00_2 =  2.4E+01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  4-bromodiphenyl ether
! formula:  C_{12}H_9BrO
! trivial:  PBDE-3
! casrn:    101-55-3
! inchikey: JDUYPUMQALQRCN-UHFFFAOYSA-N
Hvpx_____101_55_3 =  1.1E+01                                  ! [atm] type: M, ref: 2564
Hvpx_____101_55_3 =  1.3E+01                                  ! [atm] type: M, ref: 2564
Hvpx_____101_55_3 =  9.3E+00 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx_____101_55_3 =  5.7E+00                                  ! [atm] type: V, ref: 635
Hvpx_____101_55_3 =  3.9E+01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683
Hvpx_____101_55_3 =  6.6E+00                                  ! [atm] type: Q, ref: 3088

! species:  2,2'-dibromodiphenyl ether
! formula:  C_{12}H_8Br_2O
! trivial:  PBDE-4
! casrn:    51452-87-0
! inchikey: JMSKYMHFNWGUJG-UHFFFAOYSA-N
Hvpx___51452_87_0 =  5.8E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3-dibromodiphenyl ether
! formula:  C_{12}H_8Br_2O
! trivial:  PBDE-5
! casrn:    446254-14-4
! inchikey: JTYRXXKXOULVAP-UHFFFAOYSA-N
Hvpx__446254_14_4 =  1.1E+01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3'-dibromodiphenyl ether
! formula:  C_{12}H_8Br_2O
! trivial:  PBDE-6
! casrn:    147217-72-9
! inchikey: GODQTPRKFHOLPH-UHFFFAOYSA-N
Hvpx__147217_72_9 =  5.8E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,4-dibromodiphenyl ether
! formula:  C_{12}H_8Br_2O
! trivial:  PBDE-7
! casrn:    171977-44-9
! inchikey: JMCIHKKTRDLVCO-UHFFFAOYSA-N
Hvpx__171977_44_9 =  8.0E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,4'-dibromodiphenyl ether
! formula:  C_{12}H_8Br_2O
! trivial:  PBDE-8
! casrn:    147217-71-8
! inchikey: RJQLQJZMLISKRJ-UHFFFAOYSA-N
Hvpx__147217_71_8 =  9.5E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,5-dibromodiphenyl ether
! formula:  C_{12}H_8Br_2O
! trivial:  PBDE-9
! casrn:    337513-66-3
! inchikey: URDWJMUOJJSXAE-UHFFFAOYSA-N
Hvpx__337513_66_3 =  6.8E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,6-dibromodiphenyl ether
! formula:  C_{12}H_8Br_2O
! trivial:  PBDE-10
! casrn:    51930-04-2
! inchikey: MUVDKHMQIZJFTC-UHFFFAOYSA-N
Hvpx___51930_04_2 =  6.6E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,3'-dibromodiphenyl ether
! formula:  C_{12}H_8Br_2O
! trivial:  PBDE-11
! casrn:    6903-63-5
! inchikey: ALSVFJIXSNRBLE-UHFFFAOYSA-N
Hvpx____6903_63_5 =  7.0E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,4-dibromodiphenyl ether
! formula:  C_{12}H_8Br_2O
! trivial:  PBDE-12
! casrn:    189084-59-1
! inchikey: SUUJFDKVPDCZQZ-UHFFFAOYSA-N
Hvpx__189084_59_1 =  1.7E+01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,4'-dibromodiphenyl ether
! formula:  C_{12}H_8Br_2O
! trivial:  PBDE-13
! casrn:    83694-71-7
! inchikey: BGPOVBPKODCMMN-UHFFFAOYSA-N
Hvpx___83694_71_7 =  9.9E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,5-dibromodiphenyl ether
! formula:  C_{12}H_8Br_2O
! trivial:  PBDE-14
! casrn:    46438-88-4
! inchikey: FOXBZJLXVUHYQZ-UHFFFAOYSA-N
Hvpx___46438_88_4 =  5.5E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  4,4'-dibromodiphenyl ether
! formula:  C_{12}H_8Br_2O
! trivial:  PBDE-15
! casrn:    2050-47-7
! inchikey: YAWIAFUBXXPJMQ-UHFFFAOYSA-N
Hvpx____2050_47_7 =  6.6E+00                                  ! [atm] type: M, ref: 2564
Hvpx____2050_47_7 =  7.6E+00                                  ! [atm] type: M, ref: 2564
Hvpx____2050_47_7 =  7.5E+00 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx____2050_47_7 =  1.1E+01                                  ! [atm] type: V, ref: 2494
Hvpx____2050_47_7 =  2.2E+00                                  ! [atm] type: R, ref: 2536
Hvpx____2050_47_7 =  1.4E+01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683
Hvpx____2050_47_7 =  6.0E+00                                  ! [atm] type: Q, ref: 2521

! species:  2,2',3-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-16
! casrn:    147217-74-1
! inchikey: VRNGWCVCSHJUEJ-UHFFFAOYSA-N
Hvpx__147217_74_1 =  2.5E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',4-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-17
! casrn:    147217-75-2
! inchikey: VYBFILXLBMWOLI-UHFFFAOYSA-N
Hvpx__147217_75_2 =  2.4E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',5-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-18
! casrn:    407606-55-7
! inchikey: FAZLXBWRNJAGSV-UHFFFAOYSA-N
Hvpx__407606_55_7 =  2.3E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',6-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-19
! casrn:    147217-73-0
! inchikey: YDFQHBRKURQGAH-UHFFFAOYSA-N
Hvpx__147217_73_0 =  1.5E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3'-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-20
! casrn:    147217-76-3
! inchikey: RQJUBSPXDSGLRB-UHFFFAOYSA-N
Hvpx__147217_76_3 =  3.0E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,4-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-21
! casrn:    337513-67-4
! inchikey: RXWRVYYPLRPDOS-UHFFFAOYSA-N
Hvpx__337513_67_4 =  5.2E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,4'-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-22
! casrn:    446254-15-5
! inchikey: WZHNIFQVNBINLF-UHFFFAOYSA-N
Hvpx__446254_15_5 =  4.6E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,5-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-23
! casrn:    446254-16-6
! inchikey: XQHLKDAUZRXBGC-UHFFFAOYSA-N
Hvpx__446254_16_6 =  2.4E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,6-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-24
! casrn:    218304-36-0
! inchikey: GFLRHBRMAZDOIG-UHFFFAOYSA-N
Hvpx__218304_36_0 =  3.1E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-25
! casrn:    147217-77-4
! inchikey: AURKEOPYVUYTLO-UHFFFAOYSA-N
Hvpx__147217_77_4 =  2.4E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',5-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-26
! casrn:    337513-75-4
! inchikey: VUOBKVBAFJQQDB-UHFFFAOYSA-N
Hvpx__337513_75_4 =  2.2E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',6-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-27
! casrn:    337513-53-8
! inchikey: JUPZALSVNWJHII-UHFFFAOYSA-N
Hvpx__337513_53_8 =  1.6E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,4,4'-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-28
! casrn:    41318-75-6
! inchikey: UPNBETHEXPIWQX-UHFFFAOYSA-N
Hvpx___41318_75_6 =  3.3E+00 * EXP(  -8100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3683
Hvpx___41318_75_6 =  5.2E+00                                  ! [atm] type: M, ref: 2564
Hvpx___41318_75_6 =  7.1E+00                                  ! [atm] type: M, ref: 2564
Hvpx___41318_75_6 =  3.0E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2468
Hvpx___41318_75_6 =  4.6E+00 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx___41318_75_6 =  2.8E+00                                  ! [atm] type: V, ref: 2494
Hvpx___41318_75_6 =  1.1E+00                                  ! [atm] type: R, ref: 2536
Hvpx___41318_75_6 =  3.1E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683
Hvpx___41318_75_6 =  3.9E+00                                  ! [atm] type: Q, ref: 2521

! species:  2,4,5-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-29
! casrn:    337513-56-1
! inchikey: LTMKAFUXYKEDLR-UHFFFAOYSA-N
Hvpx__337513_56_1 =  3.5E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,4,6-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-30
! casrn:    155999-95-4
! inchikey: TVZAPPGLBLTACB-UHFFFAOYSA-N
Hvpx__155999_95_4 =  1.6E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,4',5-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-31
! casrn:    65075-08-3
! inchikey: PURZBWMLFRWRMG-UHFFFAOYSA-N
Hvpx___65075_08_3 =  2.9E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,4',6-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-32
! casrn:    189084-60-4
! inchikey: TYDVYKIQSZGUMV-UHFFFAOYSA-N
Hvpx__189084_60_4 =  3.3E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4'-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-33
! casrn:    49690-94-0
! inchikey: BUQBQEYUVAKJQK-UHFFFAOYSA-N
Hvpx___49690_94_0 =  4.3E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',5'-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-34
! casrn:    446254-17-7
! inchikey: XMNXHCHZIPYCNA-UHFFFAOYSA-N
Hvpx__446254_17_7 =  1.3E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,3',4-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-35
! casrn:    147217-80-9
! inchikey: CDVYKQPKJYPWRO-UHFFFAOYSA-N
Hvpx__147217_80_9 =  4.7E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,3',5-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-36
! casrn:    147217-79-6
! inchikey: XUKPJLVONRTECE-UHFFFAOYSA-N
Hvpx__147217_79_6 =  2.0E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,4,4'-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-37
! casrn:    147217-81-0
! inchikey: YALAYFVVZFORPV-UHFFFAOYSA-N
Hvpx__147217_81_0 =  6.0E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,4,5-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-38
! casrn:    337513-54-9
! inchikey: DPGVQKLGQZZLMI-UHFFFAOYSA-N
Hvpx__337513_54_9 =  5.5E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,4',5-tribromodiphenyl ether
! formula:  C_{12}H_7Br_3O
! trivial:  PBDE-39
! casrn:    407606-57-9
! inchikey: UFFNOPDHJNQYKD-UHFFFAOYSA-N
Hvpx__407606_57_9 =  2.7E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-40
! casrn:    337513-77-6
! inchikey: SXSUUFZWSVMTRL-UHFFFAOYSA-N
Hvpx__337513_77_6 =  1.1E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-41
! casrn:    337513-68-5
! inchikey: UAEBSKBXZAIRMX-UHFFFAOYSA-N
Hvpx__337513_68_5 =  1.7E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-42
! casrn:    446254-18-8
! inchikey: HQDQKPAHIDGGMH-UHFFFAOYSA-N
Hvpx__446254_18_8 =  1.0E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,5-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-43
! casrn:    446254-19-9
! inchikey: LKMQHSYDVDIECC-UHFFFAOYSA-N
Hvpx__446254_19_9 =  8.3E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,5'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-44
! casrn:    446254-20-2
! inchikey: VBGBGTYMDIVKNK-UHFFFAOYSA-N
Hvpx__446254_20_2 =  9.6E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,6-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-45
! casrn:    446254-21-3
! inchikey: VTFWUBIOZQCMQS-UHFFFAOYSA-N
Hvpx__446254_21_3 =  7.5E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,6'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-46
! casrn:    446254-22-4
! inchikey: GBUUKJRFSKCMTB-UHFFFAOYSA-N
Hvpx__446254_22_4 =  5.0E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',4,4'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-47
! casrn:    5436-43-1
! inchikey: XYBSIYMGXVUVGY-UHFFFAOYSA-N
Hvpx____5436_43_1 =  6.0E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3683
Hvpx____5436_43_1 =  3.5E+00                                  ! [atm] type: M, ref: 2564
Hvpx____5436_43_1 =  3.2E+00                                  ! [atm] type: M, ref: 2564
Hvpx____5436_43_1 =  6.3E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2468
Hvpx____5436_43_1 =  3.3E+00 * EXP(   -620.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx____5436_43_1 =  5.9E-01                                  ! [atm] type: V, ref: 3024
Hvpx____5436_43_1 =  8.2E-01                                  ! [atm] type: V, ref: 2494
Hvpx____5436_43_1 =  6.0E-01                                  ! [atm] type: R, ref: 2536
Hvpx____5436_43_1 =  6.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683
Hvpx____5436_43_1 =  2.5E+00                                  ! [atm] type: Q, ref: 2521

! species:  2,2',4,5-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-48
! casrn:    337513-55-0
! inchikey: FJGDNHOVDFREMP-UHFFFAOYSA-N
Hvpx__337513_55_0 =  1.1E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',4,5'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-49
! casrn:    243982-82-3
! inchikey: QWVDUBDYUPHNHY-UHFFFAOYSA-N
Hvpx__243982_82_3 =  6.3E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',4,6-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-50
! casrn:    446254-23-5
! inchikey: FXUAKFRJBKFDSY-UHFFFAOYSA-N
Hvpx__446254_23_5 =  4.9E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',4,6'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-51
! casrn:    189084-57-9
! inchikey: WKBBBTLDLKYGBI-UHFFFAOYSA-N
Hvpx__189084_57_9 =  4.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',5,5'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-52
! casrn:    446254-24-6
! inchikey: CDTHXJORUCZHMD-UHFFFAOYSA-N
Hvpx__446254_24_6 =  6.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',5,6'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-53
! casrn:    446254-25-7
! inchikey: SDVQGIMOFXMKHR-UHFFFAOYSA-N
Hvpx__446254_25_7 =  4.0E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',6,6'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-54
! casrn:    446254-26-8
! inchikey: WCDCHQGVTZHVSO-UHFFFAOYSA-N
Hvpx__446254_26_8 =  3.3E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-55
! casrn:    446254-27-9
! inchikey: VIHUMJGEWQPWOT-UHFFFAOYSA-N
Hvpx__446254_27_9 =  1.8E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-56
! casrn:    446254-28-0
! inchikey: NFOIVCGFYJIYIB-UHFFFAOYSA-N
Hvpx__446254_28_0 =  1.9E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',5-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-57
! casrn:    337513-82-3
! inchikey: CSIFWDKYUJLQEB-UHFFFAOYSA-N
Hvpx__337513_82_3 =  8.8E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',5'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-58
! casrn:    446254-29-1
! inchikey: SWOYBZHGPZIRHS-UHFFFAOYSA-N
Hvpx__446254_29_1 =  4.2E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',6-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-59
! casrn:    446254-30-4
! inchikey: DMAMJZQQOWYEHT-UHFFFAOYSA-N
Hvpx__446254_30_4 =  8.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,4,4'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-60
! casrn:    446254-31-5
! inchikey: ARERIMFZYPFJAV-UHFFFAOYSA-N
Hvpx__446254_31_5 =  2.3E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,4,5-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-61
! casrn:    446254-32-6
! inchikey: NDRSXNBQWAOQPP-UHFFFAOYSA-N
Hvpx__446254_32_6 =  1.7E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,4,6-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-62
! casrn:    446254-33-7
! inchikey: YIQYWYZZLOZVRM-UHFFFAOYSA-N
Hvpx__446254_33_7 =  1.0E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,4',5-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-63
! casrn:    446254-34-8
! inchikey: HNICYXFGCWPYGC-UHFFFAOYSA-N
Hvpx__446254_34_8 =  1.1E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,4',6-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-64
! casrn:    446254-35-9
! inchikey: LDCXVFJUWKKBNY-UHFFFAOYSA-N
Hvpx__446254_35_9 =  1.7E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,5,6-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-65
! casrn:    446254-36-0
! inchikey: HPEUYVBOPJQVPN-UHFFFAOYSA-N
Hvpx__446254_36_0 =  1.1E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4,4'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-66
! casrn:    189084-61-5
! inchikey: DHUMTYRHKMCVAG-UHFFFAOYSA-N
Hvpx__189084_61_5 =  2.7E-01                                  ! [atm] type: V, ref: 2494
Hvpx__189084_61_5 =  1.2E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4,5-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-67
! casrn:    446254-37-1
! inchikey: OARGWSONVLGXQA-UHFFFAOYSA-N
Hvpx__446254_37_1 =  1.2E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4,5'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-68
! casrn:    446254-38-2
! inchikey: UFWGRLCUOLLWAO-UHFFFAOYSA-N
Hvpx__446254_38_2 =  3.5E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4,6-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-69
! casrn:    327185-09-1
! inchikey: NHZNRCYNZJADTG-UHFFFAOYSA-N
Hvpx__327185_09_1 =  5.6E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4',5-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-70
! casrn:    446254-39-3
! inchikey: GHQMTYWQVJZWAR-UHFFFAOYSA-N
Hvpx__446254_39_3 =  1.1E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4',6-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-71
! casrn:    189084-62-6
! inchikey: COPAGYRSCJVION-UHFFFAOYSA-N
Hvpx__189084_62_6 =  1.1E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',5,5'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-72
! casrn:    446254-40-6
! inchikey: GBBNZKQTOOZGIS-UHFFFAOYSA-N
Hvpx__446254_40_6 =  5.7E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',5',6-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-73
! casrn:    446254-41-7
! inchikey: WQFLVWXBCRJAQN-UHFFFAOYSA-N
Hvpx__446254_41_7 =  3.3E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,4,4',5-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-74
! casrn:    446254-42-8
! inchikey: LXCFDVVDUVPAGR-UHFFFAOYSA-N
Hvpx__446254_42_8 =  1.4E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,4,4',6-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-75
! casrn:    189084-63-7
! inchikey: BWCNKMFFUGBFGB-UHFFFAOYSA-N
Hvpx__189084_63_7 =  8.6E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4',5'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-76
! casrn:    446254-43-9
! inchikey: NCSWBJSFVPJPPK-UHFFFAOYSA-N
Hvpx__446254_43_9 =  1.2E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,3',4,4'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-77
! casrn:    93703-48-1
! inchikey: RYGLOWMCGZHYRQ-UHFFFAOYSA-N
Hvpx___93703_48_1 =  6.6E-01                                  ! [atm] type: V, ref: 2494
Hvpx___93703_48_1 =  2.4E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,3',4,5-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-78
! casrn:    446254-45-1
! inchikey: HWOBLTZZSVXBOJ-UHFFFAOYSA-N
Hvpx__446254_45_1 =  1.9E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,3',4,5'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-79
! casrn:    446254-48-4
! inchikey: LELQGHJEUVRPEV-UHFFFAOYSA-N
Hvpx__446254_48_4 =  1.2E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,3',5,5'-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-80
! casrn:    103173-66-6
! inchikey: HFIOZJQRZKNPKJ-UHFFFAOYSA-N
Hvpx__103173_66_6 =  5.0E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,4,4',5-tetrabromodiphenyl ether
! formula:  C_{12}H_6Br_4O
! trivial:  PBDE-81
! casrn:    446254-50-8
! inchikey: ULFOIXCXIWHJDS-UHFFFAOYSA-N
Hvpx__446254_50_8 =  2.3E+00 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-82
! casrn:    327185-11-5
! inchikey: RQMSPGJESCCPQX-UHFFFAOYSA-N
Hvpx__327185_11_5 =  7.6E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',5-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-83
! casrn:    446254-51-9
! inchikey: XAHYSNUYJLNDBX-UHFFFAOYSA-N
Hvpx__446254_51_9 =  3.9E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-84
! casrn:    446254-52-0
! inchikey: PPIZNRAVQHNLJM-UHFFFAOYSA-N
Hvpx__446254_52_0 =  3.0E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,4'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-85
! casrn:    182346-21-0
! inchikey: DMLQSUZPTTUUDP-UHFFFAOYSA-N
Hvpx__182346_21_0 =  6.0E-02                                  ! [atm] type: V, ref: 2494
Hvpx__182346_21_0 =  4.2E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,5-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-86
! casrn:    446254-53-1
! inchikey: YMVWYUWOUOQCQP-UHFFFAOYSA-N
Hvpx__446254_53_1 =  5.9E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,5'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-87
! casrn:    446254-54-2
! inchikey: WKYQUGCIKNOXFW-UHFFFAOYSA-N
Hvpx__446254_54_2 =  5.2E-03 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-88
! casrn:    446254-55-3
! inchikey: OPZUHBCVIZNZFB-UHFFFAOYSA-N
Hvpx__446254_55_3 =  4.6E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,6'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-89
! casrn:    446254-56-4
! inchikey: XGFLJLJXVIMCNR-UHFFFAOYSA-N
Hvpx__446254_56_4 =  3.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4',5-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-90
! casrn:    446254-57-5
! inchikey: BATFXMGTVIESIQ-UHFFFAOYSA-N
Hvpx__446254_57_5 =  2.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4',6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-91
! casrn:    446254-58-6
! inchikey: HWNJTZKDPNZUSO-UHFFFAOYSA-N
Hvpx__446254_58_6 =  3.3E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,5,5'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-92
! casrn:    446254-59-7
! inchikey: QWSQOVAGRDRZLM-UHFFFAOYSA-N
Hvpx__446254_59_7 =  2.8E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,5,6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-93
! casrn:    446254-60-0
! inchikey: BRTPVPJQMWLDNO-UHFFFAOYSA-N
Hvpx__446254_60_0 =  3.6E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,5,6'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-94
! casrn:    446254-61-1
! inchikey: JOPASNJHCFYVHD-UHFFFAOYSA-N
Hvpx__446254_61_1 =  1.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,5',6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-95
! casrn:    446254-62-2
! inchikey: BZDYRALIEYVMEP-UHFFFAOYSA-N
Hvpx__446254_62_2 =  3.0E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,6,6'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-96
! casrn:    446254-63-3
! inchikey: ZFCJNRDWGBZUED-UHFFFAOYSA-N
Hvpx__446254_63_3 =  1.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4',5'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-97
! casrn:    446254-64-4
! inchikey: MAGYDGJRSCULJL-UHFFFAOYSA-N
Hvpx__446254_64_4 =  5.3E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4',6'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-98
! casrn:    38463-82-0
! inchikey: OCLWEJVGAUFXQU-UHFFFAOYSA-N
Hvpx___38463_82_0 =  1.5E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',4,4',5-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-99
! casrn:    60348-60-9
! inchikey: WHPVYXDFIXRKLN-UHFFFAOYSA-N
Hvpx___60348_60_9 =  3.6E-01 * EXP(  -8900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3683
Hvpx___60348_60_9 =  8.7E-01                                  ! [atm] type: M, ref: 2564
Hvpx___60348_60_9 =  1.6E+00                                  ! [atm] type: M, ref: 2564
Hvpx___60348_60_9 =  3.5E-01 * EXP(  -8800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2468
Hvpx___60348_60_9 =  2.0E+00 * EXP(   6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx___60348_60_9 =  2.6E-01                                  ! [atm] type: V, ref: 3024
Hvpx___60348_60_9 =  1.3E-01                                  ! [atm] type: V, ref: 2494
Hvpx___60348_60_9 =  2.9E-01                                  ! [atm] type: R, ref: 2536
Hvpx___60348_60_9 =  3.5E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683
Hvpx___60348_60_9 =  6.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___60348_60_9 =  1.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___60348_60_9 =  4.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___60348_60_9 =  2.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___60348_60_9 =  1.3E+00                                  ! [atm] type: Q, ref: 2521

! species:  2,2',4,4',6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-100
! casrn:    189084-64-8
! inchikey: NSKIRYMHNFTRLR-UHFFFAOYSA-N
Hvpx__189084_64_8 =  1.5E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3683
Hvpx__189084_64_8 =  1.6E+00                                  ! [atm] type: M, ref: 2564
Hvpx__189084_64_8 =  1.7E+00                                  ! [atm] type: M, ref: 2564
Hvpx__189084_64_8 =  1.4E-01 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2468
Hvpx__189084_64_8 =  2.9E+00 * EXP(    -12.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx__189084_64_8 =  3.8E-02                                  ! [atm] type: V, ref: 2494
Hvpx__189084_64_8 =  2.1E-01                                  ! [atm] type: R, ref: 2536
Hvpx__189084_64_8 =  1.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683
Hvpx__189084_64_8 =  1.5E+00                                  ! [atm] type: Q, ref: 2521

! species:  2,2',4,5,5'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-101
! casrn:    446254-65-5
! inchikey: QUZWDWNIWWAQDI-UHFFFAOYSA-N
Hvpx__446254_65_5 =  3.9E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',4,5,6'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-102
! casrn:    446254-66-6
! inchikey: JHFMCUVMAIQWRI-UHFFFAOYSA-N
Hvpx__446254_66_6 =  2.0E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',4,5',6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-103
! casrn:    446254-67-7
! inchikey: RJEMKRNASVHYKR-UHFFFAOYSA-N
Hvpx__446254_67_7 =  1.6E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',4,6,6'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-104
! casrn:    446254-68-8
! inchikey: CRSCWEYUPUKHPI-UHFFFAOYSA-N
Hvpx__446254_68_8 =  8.2E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,4'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-105
! casrn:    373594-78-6
! inchikey: LBPWAGZGYNOKAM-UHFFFAOYSA-N
Hvpx__373594_78_6 =  8.9E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,5-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-106
! casrn:    446254-69-9
! inchikey: KLQKWMYXEWUAFP-UHFFFAOYSA-N
Hvpx__446254_69_9 =  6.5E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4',5-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-107
! casrn:    446254-70-2
! inchikey: OMGVAMFMRSETEG-UHFFFAOYSA-N
Hvpx__446254_70_2 =  2.9E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,5'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-108
! casrn:    446254-71-3
! inchikey: VBKPKHVLHGOKOJ-UHFFFAOYSA-N
Hvpx__446254_71_3 =  2.8E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-109
! casrn:    446254-72-4
! inchikey: FXXXWTMLIQLDRP-UHFFFAOYSA-N
Hvpx__446254_72_4 =  4.6E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4',6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-110
! casrn:    446254-73-5
! inchikey: LESZGJVTZILBTK-UHFFFAOYSA-N
Hvpx__446254_73_5 =  5.8E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',5,5'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-111
! casrn:    446254-74-6
! inchikey: PCHDCOXHJBWEPW-UHFFFAOYSA-N
Hvpx__446254_74_6 =  2.6E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',5,6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-112
! casrn:    446254-75-7
! inchikey: MFBMNSFADPTAKZ-UHFFFAOYSA-N
Hvpx__446254_75_7 =  3.2E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',5',6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-113
! casrn:    446254-76-8
! inchikey: OGZHLJXRGZFVLI-UHFFFAOYSA-N
Hvpx__446254_76_8 =  1.8E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,4,4',5-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-114
! casrn:    446254-77-9
! inchikey: SFNAUTSNWPPDSY-UHFFFAOYSA-N
Hvpx__446254_77_9 =  8.7E-01                                  ! [atm] type: M, ref: 2564
Hvpx__446254_77_9 =  7.1E-01                                  ! [atm] type: M, ref: 2564
Hvpx__446254_77_9 =  6.2E-01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2496
Hvpx__446254_77_9 =  7.3E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,4,4',6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-115
! casrn:    446254-78-0
! inchikey: BKTLDVXDOVSTEV-UHFFFAOYSA-N
Hvpx__446254_78_0 =  5.6E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,4,5,6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-116
! casrn:    189084-65-9
! inchikey: ACRQLFSHISNWRY-UHFFFAOYSA-N
Hvpx__189084_65_9 =  8.9E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,4',5,6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-117
! casrn:    446254-79-1
! inchikey: SOJBOGWFDBDWEG-UHFFFAOYSA-N
Hvpx__446254_79_1 =  6.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4,4',5-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-118
! casrn:    446254-80-4
! inchikey: VTMFEPLDDHZBGI-UHFFFAOYSA-N
Hvpx__446254_80_4 =  6.0E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4,4',6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-119
! casrn:    189084-66-0
! inchikey: KXEOYBYEJCRPGB-UHFFFAOYSA-N
Hvpx__189084_66_0 =  3.0E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4,5,5'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-120
! casrn:    417727-71-0
! inchikey: AKSBEUHDCRZJAN-UHFFFAOYSA-N
Hvpx__417727_71_0 =  3.3E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4,5',6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-121
! casrn:    446254-81-5
! inchikey: GVGNVZBJVFDAAO-UHFFFAOYSA-N
Hvpx__446254_81_5 =  9.3E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4',5'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-122
! casrn:    446254-82-6
! inchikey: CDNHGSPFIUITTN-UHFFFAOYSA-N
Hvpx__446254_82_6 =  7.5E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4,4',5'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-123
! casrn:    446254-83-7
! inchikey: SBKMUEQNZNDYFW-UHFFFAOYSA-N
Hvpx__446254_83_7 =  4.6E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4',5,5'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-124
! casrn:    446254-84-8
! inchikey: FGHJTAAHIFEHLT-UHFFFAOYSA-N
Hvpx__446254_84_8 =  5.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4',5',6-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-125
! casrn:    446254-85-9
! inchikey: SESXKFPOVUVGLR-UHFFFAOYSA-N
Hvpx__446254_85_9 =  4.2E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,3',4,4',5-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-126
! casrn:    366791-32-4
! inchikey: SJNIIWPIAVQNRK-UHFFFAOYSA-N
Hvpx__366791_32_4 =  9.8E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,3',4,5,5'-pentabromodiphenyl ether
! formula:  C_{12}H_5Br_5O
! trivial:  PBDE-127
! casrn:    446254-86-0
! inchikey: RATMRXKBPDCKCZ-UHFFFAOYSA-N
Hvpx__446254_86_0 =  5.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,4'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-128
! casrn:    182677-28-7
! inchikey: WFLVELCLEGVBIH-UHFFFAOYSA-N
Hvpx__182677_28_7 =  2.7E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,5-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-129
! casrn:    446254-87-1
! inchikey: PRNCVYAUCSGSOE-UHFFFAOYSA-N
Hvpx__446254_87_1 =  2.8E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,5'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-130
! casrn:    446254-88-2
! inchikey: YURCHLXPAGSJHU-UHFFFAOYSA-N
Hvpx__446254_88_2 =  1.5E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-131
! casrn:    446254-89-3
! inchikey: MGKVPJFIGGBCBA-UHFFFAOYSA-N
Hvpx__446254_89_3 =  5.3E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,6'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-132
! casrn:    446254-90-6
! inchikey: FFEKBOKDYRZGRV-UHFFFAOYSA-N
Hvpx__446254_90_6 =  1.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',5,5'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-133
! casrn:    446254-91-7
! inchikey: XTBFPFHQPGZZJX-UHFFFAOYSA-N
Hvpx__446254_91_7 =  8.7E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',5,6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-134
! casrn:    446254-92-8
! inchikey: MIBDGPWSGDWIQR-UHFFFAOYSA-N
Hvpx__446254_92_8 =  1.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',5,6'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-135
! casrn:    446254-93-9
! inchikey: AMGHASDTWACNCS-UHFFFAOYSA-N
Hvpx__446254_93_9 =  6.4E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',6,6'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-136
! casrn:    446254-94-0
! inchikey: NTWGDSLWLUPCDW-UHFFFAOYSA-N
Hvpx__446254_94_0 =  7.0E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,4',5-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-137
! casrn:    446254-95-1
! inchikey: HSTYYNPYXZYIAG-UHFFFAOYSA-N
Hvpx__446254_95_1 =  1.8E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,4',5'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-138
! casrn:    182677-30-1
! inchikey: IZFQCEZFGCMHOM-UHFFFAOYSA-N
Hvpx__182677_30_1 =  2.0E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,4',6'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-140
! casrn:    243982-83-4
! inchikey: FLRODCDHJZNIGA-UHFFFAOYSA-N
Hvpx__243982_83_4 =  7.1E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,5,5'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-141
! casrn:    446254-97-3
! inchikey: XTXIYMGRRUJOIT-UHFFFAOYSA-N
Hvpx__446254_97_3 =  2.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,5,6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-142
! casrn:    446254-98-4
! inchikey: LJDGJCNHVGGOFW-UHFFFAOYSA-N
Hvpx__446254_98_4 =  3.8E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,5,6'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-143
! casrn:    446254-99-5
! inchikey: RQLZDUSZXOOBTM-UHFFFAOYSA-N
Hvpx__446254_99_5 =  1.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,5',6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-144
! casrn:    446255-00-1
! inchikey: ZMSJCQOCTPYCQP-UHFFFAOYSA-N
Hvpx__446255_00_1 =  1.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,6,6'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-145
! casrn:    446255-01-2
! inchikey: BTKLHMBWCRVCLC-UHFFFAOYSA-N
Hvpx__446255_01_2 =  5.2E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4',5,5'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-146
! casrn:    446255-02-3
! inchikey: HGXPYDNHBUCRTR-UHFFFAOYSA-N
Hvpx__446255_02_3 =  1.0E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4',5,6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-147
! casrn:    116995-33-6
! inchikey: OWBKWMDBTWHGHS-UHFFFAOYSA-N
Hvpx__116995_33_6 =  1.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4',5,6'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-148
! casrn:    446255-03-4
! inchikey: OJMHGSMSQZEBFH-UHFFFAOYSA-N
Hvpx__446255_03_4 =  4.7E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4',5',6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-149
! casrn:    446255-04-5
! inchikey: UJOUSZKYGGTPFQ-UHFFFAOYSA-N
Hvpx__446255_04_5 =  1.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4',6,6'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-150
! casrn:    446255-05-6
! inchikey: SQNOZOVDXXSLSG-UHFFFAOYSA-N
Hvpx__446255_05_6 =  3.3E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,5,5',6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-151
! casrn:    446255-06-7
! inchikey: NGOQQUYCSISZMY-UHFFFAOYSA-N
Hvpx__446255_06_7 =  1.2E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,5,6,6'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-152
! casrn:    446255-07-8
! inchikey: BYBJJARTBKUIJD-UHFFFAOYSA-N
Hvpx__446255_07_8 =  5.8E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',4,4',5,5'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-153
! casrn:    68631-49-2
! inchikey: RZXIRSKYBISPGF-UHFFFAOYSA-N
Hvpx___68631_49_2 =  1.5E-01 * EXP(  -7200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3683
Hvpx___68631_49_2 =  1.6E-01 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2468
Hvpx___68631_49_2 =  8.9E-02                                  ! [atm] type: V, ref: 3024
Hvpx___68631_49_2 =  3.7E-02                                  ! [atm] type: V, ref: 2494
Hvpx___68631_49_2 =  1.9E-01                                  ! [atm] type: R, ref: 2536
Hvpx___68631_49_2 =  1.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683
Hvpx___68631_49_2 =  6.5E-01                                  ! [atm] type: Q, ref: 2521

! species:  2,2',4,4',5,6'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-154
! casrn:    207122-15-4
! inchikey: VHNPZYZQKWIWOD-UHFFFAOYSA-N
Hvpx__207122_15_4 =  7.7E-02 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3683
Hvpx__207122_15_4 =  7.5E-02 * EXP(  -6800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2468
Hvpx__207122_15_4 =  1.3E-01                                  ! [atm] type: V, ref: 2494
Hvpx__207122_15_4 =  5.1E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683
Hvpx__207122_15_4 =  7.6E-01                                  ! [atm] type: Q, ref: 2521

! species:  2,2',4,4',6,6'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-155
! casrn:    35854-94-5
! inchikey: HRSCBOSGEKXXSI-UHFFFAOYSA-N
Hvpx___35854_94_5 =  2.2E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,4',5-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-156
! casrn:    405237-85-6
! inchikey: JSDPCMJWYRDQEV-UHFFFAOYSA-N
Hvpx__405237_85_6 =  3.5E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,4',5'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-157
! casrn:    446255-08-9
! inchikey: JUOAMVUIJQJZSZ-UHFFFAOYSA-N
Hvpx__446255_08_9 =  2.9E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,4',6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-158
! casrn:    446255-09-0
! inchikey: KRYHHTVQOOJNHQ-UHFFFAOYSA-N
Hvpx__446255_09_0 =  2.0E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,5,5'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-159
! casrn:    446255-10-3
! inchikey: IDYFFNCFLRCOPZ-UHFFFAOYSA-N
Hvpx__446255_10_3 =  1.8E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,5,6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-160
! casrn:    446255-11-4
! inchikey: OCVOYHGOXIIONK-UHFFFAOYSA-N
Hvpx__446255_11_4 =  2.0E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,5',6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-161
! casrn:    446255-12-5
! inchikey: WEYWRBBPPKSRGU-UHFFFAOYSA-N
Hvpx__446255_12_5 =  6.1E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4',5,5'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-162
! casrn:    446255-13-6
! inchikey: UKPNCLHMNJCGCJ-UHFFFAOYSA-N
Hvpx__446255_13_6 =  2.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4',5,6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-163
! casrn:    446255-14-7
! inchikey: NUEAHMLXQFHEJN-UHFFFAOYSA-N
Hvpx__446255_14_7 =  2.3E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4',5',6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-164
! casrn:    446255-15-8
! inchikey: UJVYVXIHTJOJBZ-UHFFFAOYSA-N
Hvpx__446255_15_8 =  1.8E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',5,5',6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-165
! casrn:    446255-16-9
! inchikey: KXERERDGMTWBGZ-UHFFFAOYSA-N
Hvpx__446255_16_9 =  7.0E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,4,4',5,6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-166
! casrn:    189084-58-0
! inchikey: KVYODBMKQYVNEK-UHFFFAOYSA-N
Hvpx__189084_58_0 =  4.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4,4',5,5'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-167
! casrn:    446255-17-0
! inchikey: NMUPLZRHSXJCJQ-UHFFFAOYSA-N
Hvpx__446255_17_0 =  1.8E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3',4,4',5',6-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-168
! casrn:    53551-87-4
! inchikey: HWZAPXGFMVEGPW-UHFFFAOYSA-N
Hvpx___53551_87_4 =  1.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  3,3',4,4',5,5'-hexabromodiphenyl ether
! formula:  C_{12}H_4Br_6O
! trivial:  PBDE-169
! casrn:    446255-18-1
! inchikey: JKFBMDHBJYKFKL-UHFFFAOYSA-N
Hvpx__446255_18_1 =  4.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,4',5-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-170
! casrn:    327185-13-7
! inchikey: DLPNCMQTNWLTHD-UHFFFAOYSA-N
Hvpx__327185_13_7 =  1.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,4',6-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-171
! casrn:    446255-19-2
! inchikey: FRMMMROUUPQUMZ-UHFFFAOYSA-N
Hvpx__446255_19_2 =  4.7E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,5,5'-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-172
! casrn:    407606-59-1
! inchikey: DSRRSKFMOJQETR-UHFFFAOYSA-N
Hvpx__407606_59_1 =  3.4E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,5,6-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-173
! casrn:    446255-20-5
! inchikey: NLBLNZDNOSSGPW-UHFFFAOYSA-N
Hvpx__446255_20_5 =  8.1E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,5,6'-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-174
! casrn:    446255-21-6
! inchikey: VUUWOHUOYUGBEO-UHFFFAOYSA-N
Hvpx__446255_21_6 =  4.6E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,5',6-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-175
! casrn:    6255-22-7
! inchikey: YATZWTXATDYQCK-UHFFFAOYSA-N
Hvpx____6255_22_7 =  3.2E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,6,6'-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-176
! casrn:    407606-61-5
! inchikey: SWUALKCOTZOSMY-UHFFFAOYSA-N
Hvpx__407606_61_5 =  2.2E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,5',6'-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-177
! casrn:    446255-23-8
! inchikey: ZHUHLPXIJIBQBJ-UHFFFAOYSA-N
Hvpx__446255_23_8 =  5.5E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',5,5',6-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-178
! casrn:    446255-24-9
! inchikey: UWUVZUPEEORCRG-UHFFFAOYSA-N
Hvpx__446255_24_9 =  4.1E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',5,6,6'-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-179
! casrn:    446255-25-0
! inchikey: COVXWWKOLMNRQE-UHFFFAOYSA-N
Hvpx__446255_25_0 =  2.5E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,4',5,5'-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-180
! casrn:    446255-26-1
! inchikey: STMBXVOJNOJRPZ-UHFFFAOYSA-N
Hvpx__446255_26_1 =  7.5E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,4',5,6-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-181
! casrn:    189084-67-1
! inchikey: GVNRIAPLVGNZPL-UHFFFAOYSA-N
Hvpx__189084_67_1 =  6.1E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,4',5,6'-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-182
! casrn:    442690-45-1
! inchikey: ZYHDTADADSNMLV-UHFFFAOYSA-N
Hvpx__442690_45_1 =  2.9E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,4',5',6-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-183
! casrn:    207122-16-5
! inchikey: ILPSCQCLBHQUEM-UHFFFAOYSA-N
Hvpx__207122_16_5 =  4.0E-03                                  ! [atm] type: V, ref: 2494
Hvpx__207122_16_5 =  4.2E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,4',6,6'-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-184
! casrn:    117948-63-7
! inchikey: JHDCZVAQPRXHEL-UHFFFAOYSA-N
Hvpx__117948_63_7 =  1.5E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,5,5',6-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-185
! casrn:    405237-86-7
! inchikey: YRNMIFAQDSUFTR-UHFFFAOYSA-N
Hvpx__405237_86_7 =  1.1E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,5,6,6'-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-186
! casrn:    446255-27-2
! inchikey: WUFQDCMRKKDNSF-UHFFFAOYSA-N
Hvpx__446255_27_2 =  3.9E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4',5,5',6-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-187
! casrn:    446255-28-3
! inchikey: RFZPXOBFDARWHV-UHFFFAOYSA-N
Hvpx__446255_28_3 =  5.8E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4',5,6,6'-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-188
! casrn:    116995-32-5
! inchikey: YGYDHFDPVGAMTL-UHFFFAOYSA-N
Hvpx__116995_32_5 =  1.6E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,4',5,5'-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-189
! casrn:    259087-35-9
! inchikey: CQVLRTUESBMMJW-UHFFFAOYSA-N
Hvpx__259087_35_9 =  1.2E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,4',5,6-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-190
! casrn:    189084-68-2
! inchikey: OUEYHQIMJGHOQN-UHFFFAOYSA-N
Hvpx__189084_68_2 =  1.4E-01 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,4',5',6-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-191
! casrn:    446255-30-7
! inchikey: BNBFKFHSIPERIM-UHFFFAOYSA-N
Hvpx__446255_30_7 =  6.5E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,5,5',6-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-192
! casrn:    407578-53-4
! inchikey: ABLZOLAUBUSUHT-UHFFFAOYSA-N
Hvpx__407578_53_4 =  4.2E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4',5,5',6-heptabromodiphenyl ether
! formula:  C_{12}H_3Br_7O
! trivial:  PBDE-193
! casrn:    446255-34-1
! inchikey: AUFJSWANTKXCFZ-UHFFFAOYSA-N
Hvpx__446255_34_1 =  7.5E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,4',5,5'-octabromodiphenyl ether
! formula:  C_{12}H_2Br_8O
! trivial:  PBDE-194
! casrn:    32536-52-0
! inchikey: ORYGKUIDIMIRNN-UHFFFAOYSA-N
Hvpx___32536_52_0 =  4.1E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,4',5,6-octabromodiphenyl ether
! formula:  C_{12}H_2Br_8O
! trivial:  PBDE-195
! casrn:    446255-38-5
! inchikey: GPQLSLKPHQEEOP-UHFFFAOYSA-N
Hvpx__446255_38_5 =  3.5E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,4',5,6'-octabromodiphenyl ether
! formula:  C_{12}H_2Br_8O
! trivial:  PBDE-196
! casrn:    446255-39-6
! inchikey: IEWFKOVTVJNWFF-UHFFFAOYSA-N
Hvpx__446255_39_6 =  1.5E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,4',6,6'-octabromodiphenyl ether
! formula:  C_{12}H_2Br_8O
! trivial:  PBDE-197
! casrn:    117964-21-3
! inchikey: AAFUUKPTSPVXJH-UHFFFAOYSA-N
Hvpx__117964_21_3 =  7.7E-03 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,5,5',6-octabromodiphenyl ether
! formula:  C_{12}H_2Br_8O
! trivial:  PBDE-198
! casrn:    446255-42-1
! inchikey: IBKRHVDFFHQOSC-UHFFFAOYSA-N
Hvpx__446255_42_1 =  3.0E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,5,5',6'-octabromodiphenyl ether
! formula:  C_{12}H_2Br_8O
! trivial:  PBDE-199
! casrn:    446255-43-2
! inchikey: JNSLJYRXDGBNBE-UHFFFAOYSA-N
Hvpx__446255_43_2 =  1.6E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,5,6,6'-octabromodiphenyl ether
! formula:  C_{12}H_2Br_8O
! trivial:  PBDE-200
! casrn:    446255-46-5
! inchikey: JWMXGEPFVCRXQR-UHFFFAOYSA-N
Hvpx__446255_46_5 =  1.5E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,5',6,6'-octabromodiphenyl ether
! formula:  C_{12}H_2Br_8O
! trivial:  PBDE-201
! casrn:    446255-50-1
! inchikey: HQWFMMKREWXIGN-UHFFFAOYSA-N
Hvpx__446255_50_1 =  8.0E-03 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',5,5',6,6'-octabromodiphenyl ether
! formula:  C_{12}H_2Br_8O
! trivial:  PBDE-202
! casrn:    67797-09-5
! inchikey: AHNZLQAZTWRRDW-UHFFFAOYSA-N
Hvpx___67797_09_5 =  9.6E-03 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,4',5,5',6-octabromodiphenyl ether
! formula:  C_{12}H_2Br_8O
! trivial:  PBDE-203
! casrn:    337513-72-1
! inchikey: RTUZOQFRIPIWPS-UHFFFAOYSA-N
Hvpx__337513_72_1 =  2.7E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,4,4',5,6,6'-octabromodiphenyl ether
! formula:  C_{12}H_2Br_8O
! trivial:  PBDE-204
! casrn:    446255-54-5
! inchikey: YZABCBOJTHQTSX-UHFFFAOYSA-N
Hvpx__446255_54_5 =  8.8E-03 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,3,3',4,4',5,5',6-octabromodiphenyl ether
! formula:  C_{12}H_2Br_8O
! trivial:  PBDE-205
! casrn:    446255-56-7
! inchikey: CVMKCYDBEYHNBM-UHFFFAOYSA-N
Hvpx__446255_56_7 =  3.1E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,4',5,5',6-nonabromodiphenyl ether
! formula:  C_{12}HBr_9O
! trivial:  PBDE-206
! casrn:    63387-28-0
! inchikey: CYRHBNRLQMLULE-UHFFFAOYSA-N
Hvpx___63387_28_0 =  1.2E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,4',5,6,6'-nonabromodiphenyl ether
! formula:  C_{12}HBr_9O
! trivial:  PBDE-207
! casrn:    437701-79-6
! inchikey: IEEVDIAVLGLVOW-UHFFFAOYSA-N
Hvpx__437701_79_6 =  4.4E-03 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  2,2',3,3',4,5,5',6,6'-nonabromodiphenyl ether
! formula:  C_{12}HBr_9O
! trivial:  PBDE-208
! casrn:    437701-78-5
! inchikey: ASGZXYIDLFWXID-UHFFFAOYSA-N
Hvpx__437701_78_5 =  4.9E-03 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683

! species:  decabromodiphenyl ether
! formula:  C_{12}Br_{10}O
! trivial:  PBDE-209
! casrn:    1163-19-5
! inchikey: WHHGLZMJPXIBIX-UHFFFAOYSA-N
Hvpx____1163_19_5 =  3.0E-02 * EXP(  -7600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3683
Hvpx____1163_19_5 =  3.1E-02 * EXP(  -7900.*(1./T-1./298.15)) ! [atm] type: M, ref: 2468
Hvpx____1163_19_5 =  2.0E-02 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 3683
Hvpx____1163_19_5 =  6.6E-04                                  ! [atm] type: Q, ref: 3088
Hvpx____1163_19_5 =  6.6E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____1163_19_5 =  1.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____1163_19_5 =  4.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____1163_19_5 =  8.2E-04                                  ! [atm] type: Q, ref: 2995

! species:  dibromoacetonitrile
! formula:  C_2HBr_2N
! trivial:  
! casrn:    3252-43-5
! inchikey: NDSBDLSWTGLNQA-UHFFFAOYSA-N
Hvpx____3252_43_5 =  2.3E-02                                  ! [atm] type: Q, ref: 3088

! species:  bromoacetonitrile
! formula:  C_2H_2BrN
! trivial:  
! casrn:    590-17-0
! inchikey: REXUYBKPWIPONM-UHFFFAOYSA-N
Hvpx_____590_17_0 =  1.9E-01                                  ! [atm] type: Q, ref: 3088

! species:  2-bromopyridine
! formula:  C_5H_4BrN
! trivial:  
! casrn:    109-04-6
! inchikey: IMRWILPUOVGIMU-UHFFFAOYSA-N
Hvpx_____109_04_6 =  4.3E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____109_04_6 =  3.0E+00                                  ! [atm] type: Q, ref: 3586

! species:  3-bromopyridine
! formula:  C_5H_4BrN
! trivial:  
! casrn:    626-55-1
! inchikey: NYPYPOZNGOXYSU-UHFFFAOYSA-N
Hvpx_____626_55_1 =  6.6E-01                                  ! [atm] type: ?, ref: 3766

! species:  1,2-dibromo-2,4-dicyanobutane
! formula:  C_6H_6Br_2N_2
! trivial:  
! casrn:    35691-65-7
! inchikey: DHVLDKHFGIVEIP-UHFFFAOYSA-N
Hvpx___35691_65_7 =  4.6E-04                                  ! [atm] type: V, ref: 3088

! species:  4-bromobenzenamine
! formula:  C_6H_6BrN
! trivial:  
! casrn:    106-40-1
! inchikey: WDFQBORIUYODSI-UHFFFAOYSA-N
Hvpx_____106_40_1 =  5.0E-02                                  ! [atm] type: Q, ref: 3088

! species:  2,4,6-tribromobenzenamine
! formula:  C_6H_4Br_3N
! trivial:  
! casrn:    147-82-0
! inchikey: GVPODVKBTHCGFU-UHFFFAOYSA-N
Hvpx_____147_82_0 =  6.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____147_82_0 =  2.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____147_82_0 =  9.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____147_82_0 =  4.6E-03                                  ! [atm] type: Q, ref: 2995

! species:  N,N'-dimethyl-3,3',4,4',5,5'-hexabromo-2,2'-bipyrrole
! formula:  C_{10}H_6Br_6N_2
! trivial:  DBP-Br6
! casrn:    253798-63-9
! inchikey: BUKWTHPBLJVYMZ-UHFFFAOYSA-N
Hvpx__253798_63_9 =  1.1E-03                                  ! [atm] type: V, ref: 2469
Hvpx__253798_63_9 =  1.1E-02                                  ! [atm] type: Q, ref: 2521

! species:  1,1'-ethylene 2,2'-dipyridylium dibromide
! formula:  C_{12}H_{12}N_2Br
! trivial:  diquat dibromide
! casrn:    85-00-7
! inchikey: JXEXEPZXXFNEHA-UHFFFAOYSA-M
Hvpx______85_00_7 =  7.7E-09                                  ! [atm] type: Q, ref: 3088

! species:  tralomethrin
! formula:  C_{22}H_{19}NO_3Br_4
! trivial:  
! casrn:    66841-25-6
! inchikey: YWSCPYYRJXKUDB-KAKFPZCNSA-N
Hvpx___66841_25_6 =  2.2E-05                                  ! [atm] type: V, ref: 3586
Hvpx___66841_25_6 =  2.2E-05                                  ! [atm] type: V, ref: 3088
Hvpx___66841_25_6 =  4.5E-04                                  ! [atm] type: Q, ref: 3586

! species:  bromomethyl peroxynitrate
! formula:  CH_2BrO_2NO_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: JTAFUKGUWIYDNI-UHFFFAOYSA-N
Hvpx_JTAFUKGUWIYDNI_UHFFFAOYSA_N =  1.6E+00                                  ! [atm] type: Q, ref: 2927

! species:  dibromomethyl peroxynitrate
! formula:  CHBr_2O_2NO_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: CRBGJNSRTFAVGH-UHFFFAOYSA-N
Hvpx_CRBGJNSRTFAVGH_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 2927

! species:  tribromomethyl peroxynitrate
! formula:  CBr_3O_2NO_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: BVMOLEXBJGZUAI-UHFFFAOYSA-N
Hvpx_BVMOLEXBJGZUAI_UHFFFAOYSA_N =  1.4E-01                                  ! [atm] type: Q, ref: 2927

! species:  MCM:BRETPAN
! formula:  C_2H_2NO_5Br
! trivial:  
! casrn:    UNKNOWN
! inchikey: OOFSXJVGALRPLK-UHFFFAOYSA-N
Hvpx_OOFSXJVGALRPLK_UHFFFAOYSA_N =  2.7E-02                                  ! [atm] type: Q, ref: 3409
Hvpx_OOFSXJVGALRPLK_UHFFFAOYSA_N =  6.3E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_OOFSXJVGALRPLK_UHFFFAOYSA_N =  1.6E+02                                  ! [atm] type: Q, ref: 3409

! species:  2,2-dibromo-2-cyanoacetamide
! formula:  C_3H_2Br_2N_2O
! trivial:  2,2-dibromo-3-nitrilopropionamide
! casrn:    10222-01-2
! inchikey: UUIVKBHZENILKB-UHFFFAOYSA-N
Hvpx___10222_01_2 =  1.1E-03                                  ! [atm] type: V, ref: 3586
Hvpx___10222_01_2 =  1.1E-03                                  ! [atm] type: V, ref: 3088
Hvpx___10222_01_2 =  6.4E-05                                  ! [atm] type: Q, ref: 3586

! species:  bronopol
! formula:  C_3H_6BrNO_4
! trivial:  
! casrn:    52-51-7
! inchikey: LVDKZNITIUWNER-UHFFFAOYSA-N
Hvpx______52_51_7 =  7.2E-07                                  ! [atm] type: V, ref: 3088

! species:  2,6-dibromo-4-nitroaniline
! formula:  C_6H_4Br_2N_2O_2
! trivial:  
! casrn:    827-94-1
! inchikey: YMZIFDLWYUSZCC-UHFFFAOYSA-N
Hvpx_____827_94_1 =  6.6E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____827_94_1 =  3.2E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____827_94_1 =  2.8E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____827_94_1 =  9.6E-05                                  ! [atm] type: Q, ref: 2995

! species:  2-bromo-4,6-dinitroaniline
! formula:  C_6H_4BrN_3O_4
! trivial:  
! casrn:    1817-73-8
! inchikey: KWMDHCLJYMVBNS-UHFFFAOYSA-N
Hvpx____1817_73_8 =  1.4E-05                                  ! [atm] type: Q, ref: 2995
Hvpx____1817_73_8 =  2.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____1817_73_8 =  3.0E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____1817_73_8 =  9.6E-06                                  ! [atm] type: Q, ref: 2995

! species:  3-bromonitrobenzene
! formula:  C_6H_4BrNO_2
! trivial:  $m$-bromonitrobenzene
! casrn:    585-79-5
! inchikey: FWIROFMBWVMWLB-UHFFFAOYSA-N
Hvpx_____585_79_5 =  1.0E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____585_79_5 =  1.0E-01                                  ! [atm] type: V, ref: 2165
Hvpx_____585_79_5 =  3.1E-01                                  ! [atm] type: Q, ref: 3586

! species:  4-bromonitrobenzene
! formula:  C_6H_4BrNO_2
! trivial:  $p$-bromonitrobenzene
! casrn:    586-78-7
! inchikey: ZDFBKZUDCQQKAC-UHFFFAOYSA-N
Hvpx_____586_78_7 =  2.5E+00                                  ! [atm] type: Q, ref: 3689

! species:  3,5-dibromo-4-hydroxy-benzonitrile
! formula:  C_7H_3Br_2NO
! trivial:  bromoxynil
! casrn:    1689-84-5
! inchikey: UPMXNNIRAGDFEH-UHFFFAOYSA-N
Hvpx____1689_84_5 =  7.4E-04                                  ! [atm] type: V, ref: 2614
Hvpx____1689_84_5 =  5.5E-07                                  ! [atm] type: ?, ref: 3549
Hvpx____1689_84_5 =  2.5E-04                                  ! [atm] type: ?, ref: 3549
Hvpx____1689_84_5 =  4.8E-07                                  ! [atm] type: ?, ref: 3549

! species:  2,6-dibromo-3-methyl-4-nitroanisole
! formula:  C_8H_7Br_2NO_3
! trivial:  
! casrn:    62265-99-0
! inchikey: RBAJFFLBHVZCDY-UHFFFAOYSA-N
Hvpx___62265_99_0 =  1.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___62265_99_0 =  1.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___62265_99_0 =  1.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___62265_99_0 =  5.6E-02                                  ! [atm] type: Q, ref: 2995

! species:  bromacil
! formula:  C_9H_{13}BrN_2O_2
! trivial:  
! casrn:    314-40-9
! inchikey: CTSLUCNDVMMDHG-UHFFFAOYSA-N
Hvpx_____314_40_9 =  7.2E-06                                  ! [atm] type: V, ref: 3088
Hvpx_____314_40_9 =  7.0E-06                                  ! [atm] type: V, ref: 2614
Hvpx_____314_40_9 =  1.0E-03                                  ! [atm] type: V, ref: 1157
Hvpx_____314_40_9 =  1.1E-01                                  ! [atm] type: X, ref: barcelo97
Hvpx_____314_40_9 =  2.6E-02                                  ! [atm] type: Q, ref: 3729

! species:  N'-(4-bromophenyl)-N-methoxy-N-methylurea
! formula:  C_9H_{11}BrN_2O
! trivial:  metobromuron
! casrn:    3060-89-7
! inchikey: WLFDQEVORAMCIM-UHFFFAOYSA-N
Hvpx____3060_89_7 =  1.7E-04                                  ! [atm] type: V, ref: 3088
Hvpx____3060_89_7 =  1.7E-04                                  ! [atm] type: V, ref: 2614
Hvpx____3060_89_7 =  1.7E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx____3060_89_7 =  6.5E-02                                  ! [atm] type: Q, ref: 3729
Hvpx____3060_89_7 =  6.2E-05                                  ! [atm] type: ?, ref: 3549

! species:  bromuron
! formula:  C_9H_{11}BrN_2O
! trivial:  
! casrn:    3408-97-7
! inchikey: GSNZNZUNAJCHDO-UHFFFAOYSA-N
Hvpx____3408_97_7 =  2.7E-05                                  ! [atm] type: ?, ref: 3087

! species:  bromoxynil butyrate
! formula:  C_{11}H_9Br_2NO_2
! trivial:  
! casrn:    3861-41-4
! inchikey: PGMZYNZXIYOOHJ-UHFFFAOYSA-N
Hvpx____3861_41_4 =  9.8E-03                                  ! [atm] type: ?, ref: 3549

! species:  tris(2,3-dibromopropyl)isocyanurate
! formula:  C_{12}H_{15}Br_6N_3O_3
! trivial:  
! casrn:    52434-90-9
! inchikey: NZUPFZNVGSWLQC-UHFFFAOYSA-N
Hvpx___52434_90_9 =  6.6E-14                                  ! [atm] type: Q, ref: 2995
Hvpx___52434_90_9 =  8.3E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___52434_90_9 =  2.0E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___52434_90_9 =  4.4E-11                                  ! [atm] type: Q, ref: 2995

! species:  bromofenoxim
! formula:  C_{13}H_7Br_2N_3O_6
! trivial:  
! casrn:    13181-17-4
! inchikey: VTQWKUZUPOTXEH-UHFFFAOYSA-N
Hvpx___13181_17_4 =  1.8E+02                                  ! [atm] type: X, ref: barcelo97
Hvpx___13181_17_4 =  6.8E+02                                  ! [atm] type: Q, ref: 3729
Hvpx___13181_17_4 =  4.2E-06                                  ! [atm] type: ?, ref: 3087

! species:  tribromsalan
! formula:  C_{13}H_8Br_3NO_2
! trivial:  
! casrn:    87-10-5
! inchikey: KVSKGMLNBAPGKH-UHFFFAOYSA-N
Hvpx______87_10_5 =  5.6E-07                                  ! [atm] type: Q, ref: 2995
Hvpx______87_10_5 =  4.7E-07                                  ! [atm] type: Q, ref: 2995
Hvpx______87_10_5 =  3.3E-07                                  ! [atm] type: Q, ref: 2995
Hvpx______87_10_5 =  4.7E-07                                  ! [atm] type: Q, ref: 2995

! species:  bromoxynil heptanoate
! formula:  C_{14}H_{15}Br_2NO_2
! trivial:  
! casrn:    56634-95-8
! inchikey: BHZWBQPHPLFZSV-UHFFFAOYSA-N
Hvpx___56634_95_8 =  1.0E-01                                  ! [atm] type: ?, ref: 3549

! species:  1-amino-2,4-dibromo-9,10-anthracenedione
! formula:  C_{14}H_7Br_2NO_2
! trivial:  1-amino-2,4-dibromoanthraquinone
! casrn:    81-49-2
! inchikey: ZINRVIQBCHAZMM-UHFFFAOYSA-N
Hvpx______81_49_2 =  1.0E-08                                  ! [atm] type: Q, ref: 3088

! species:  2,6-dibromo-4-cyanophenyl octanoate
! formula:  C_{15}H_{17}BrNO_2
! trivial:  
! casrn:    1689-99-2
! inchikey: DQKWXTIYGWPGOO-UHFFFAOYSA-N
Hvpx____1689_99_2 =  1.8E+00                                  ! [atm] type: V, ref: 3586
Hvpx____1689_99_2 =  1.8E+00                                  ! [atm] type: V, ref: 3088
Hvpx____1689_99_2 =  1.3E-02                                  ! [atm] type: Q, ref: 3586
Hvpx____1689_99_2 =  1.0E-01                                  ! [atm] type: ?, ref: 3549

! species:  bromobutide
! formula:  C_{15}H_{22}BrNO
! trivial:  
! casrn:    74712-19-9
! inchikey: WZDDLAZXUYIVMU-UHFFFAOYSA-N
Hvpx___74712_19_9 =  2.8E-03                                  ! [atm] type: ?, ref: 3766

! species:  (2$E$)-N,N'-bis(2,4,6-tribromophenyl)-2-butenediamide
! formula:  C_{16}H_8Br_6N_2O_2
! trivial:  
! casrn:    92484-07-6
! inchikey: IJUNKLAVMFKPCX-OWOJBTEDSA-N
Hvpx___92484_07_6 =  6.0E-11                                  ! [atm] type: Q, ref: 2995
Hvpx___92484_07_6 =  1.1E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___92484_07_6 =  8.7E-11                                  ! [atm] type: Q, ref: 2995
Hvpx___92484_07_6 =  7.6E-15                                  ! [atm] type: Q, ref: 2995

! species:  SAYTEX BT 93
! formula:  C_{18}H_4Br_8N_2O_4
! trivial:  
! casrn:    32588-76-4
! inchikey: DYIZJUDNMOIZQO-UHFFFAOYSA-N
Hvpx___32588_76_4 =  2.0E-16                                  ! [atm] type: Q, ref: 3088
Hvpx___32588_76_4 =  2.0E-16                                  ! [atm] type: Q, ref: 2995
Hvpx___32588_76_4 =  2.4E-12                                  ! [atm] type: Q, ref: 2995
Hvpx___32588_76_4 =  1.6E-10                                  ! [atm] type: Q, ref: 2995
Hvpx___32588_76_4 =  2.4E-14                                  ! [atm] type: Q, ref: 2995

! species:  SAYTEX BN 451
! formula:  C_{20}H_{20}Br_4N_2O_4
! trivial:  
! casrn:    52907-07-0
! inchikey: WOFYQUJNULCFLN-UHFFFAOYSA-N
Hvpx___52907_07_0 =  2.2E-16                                  ! [atm] type: Q, ref: 2995
Hvpx___52907_07_0 =  3.8E-12                                  ! [atm] type: Q, ref: 2995
Hvpx___52907_07_0 =  9.6E-13                                  ! [atm] type: Q, ref: 2995
Hvpx___52907_07_0 =  3.5E-16                                  ! [atm] type: Q, ref: 2995

! species:  deltamethrin
! formula:  C_{22}H_{19}Br_2NO_3
! trivial:  
! casrn:    52918-63-5
! inchikey: OWZREIFADZCYQD-NSHGMRRFSA-N
Hvpx___52918_63_5 =  2.8E-01                                  ! [atm] type: V, ref: 3586
Hvpx___52918_63_5 =  2.8E-01                                  ! [atm] type: V, ref: 3088
Hvpx___52918_63_5 =  1.4E+00                                  ! [atm] type: V, ref: 2614
Hvpx___52918_63_5 =  2.7E-01                                  ! [atm] type: V, ref: 2973
Hvpx___52918_63_5 =  5.2E-04                                  ! [atm] type: Q, ref: 3586
Hvpx___52918_63_5 =  1.7E-02                                  ! [atm] type: ?, ref: 3549

! species:  2,2'-(methylenedi-4,1-phenylene)bis(4,5,6,7-tetrabromo-1H-isoindole-1,3(2H)-dione
! formula:  C_{29}H_{10}N_2O_4Br_8
! trivial:  
! casrn:    32588-74-2
! inchikey: RHFKNNBDKARGKL-UHFFFAOYSA-N
Hvpx___32588_74_2 =  1.0E-15                                  ! [atm] type: Q, ref: 2995
Hvpx___32588_74_2 =  3.2E-15                                  ! [atm] type: Q, ref: 2995
Hvpx___32588_74_2 =  5.8E-11                                  ! [atm] type: Q, ref: 2995
Hvpx___32588_74_2 =  1.2E-16                                  ! [atm] type: Q, ref: 2995

! species:  bromotrifluoromethane
! formula:  CF_3Br
! trivial:  
! casrn:    75-63-8
! inchikey: RJCQBQGAPKAMLL-UHFFFAOYSA-N
Hvpx______75_63_8 =  2.8E+04                                  ! [atm] type: V, ref: 642
Hvpx______75_63_8 =  2.7E+04                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_63_8 =  2.8E+04                                  ! [atm] type: C, ref: 2550
Hvpx______75_63_8 =  8.6E+04                                  ! [atm] type: Q, ref: 3730
Hvpx______75_63_8 =  1.0E+04                                  ! [atm] type: Q, ref: 3586
Hvpx______75_63_8 =  1.2E+04                                  ! [atm] type: Q, ref: 3406
Hvpx______75_63_8 =  3.0E+04                                  ! [atm] type: Q, ref: 3579
Hvpx______75_63_8 =  1.7E+04                                  ! [atm] type: Q, ref: 2521
Hvpx______75_63_8 =  5.0E+04                                  ! [atm] type: Q, ref: 2530
Hvpx______75_63_8 =  2.0E+04                                  ! [atm] type: Q, ref: 2482
Hvpx______75_63_8 =  9.7E+04                                  ! [atm] type: Q, ref: 2550
Hvpx______75_63_8 =  2.8E+04                                  ! [atm] type: ?, ref: 3586
Hvpx______75_63_8 =  2.7E+04                                  ! [atm] type: ?, ref: 2440

! species:  dibromodifluoromethane
! formula:  CBr_2F_2
! trivial:  
! casrn:    75-61-6
! inchikey: AZSZCFSOHXEJQE-UHFFFAOYSA-N
Hvpx______75_61_6 =  1.7E+03                                  ! [atm] type: Q, ref: 3088

! species:  1-bromo-1,2,2,2-tetrafluoroethane
! formula:  C_2HBrF_4
! trivial:  teflurane
! casrn:    124-72-1
! inchikey: RZXZIZDRFQFCTA-UHFFFAOYSA-N
Hvpx_____124_72_1 =  3.1E+03 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx_____124_72_1 =  4.4E+03                                  ! [atm] type: M, ref: 2442
Hvpx_____124_72_1 =  3.9E+03                                  ! [atm] type: Q, ref: 3730
Hvpx_____124_72_1 =  3.7E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____124_72_1 =  2.6E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____124_72_1 =  8.2E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____124_72_1 =  3.2E+03                                  ! [atm] type: ?, ref: 3586
Hvpx_____124_72_1 =  4.3E+03                                  ! [atm] type: ?, ref: 3614
Hvpx_____124_72_1 =  3.2E+03                                  ! [atm] type: ?, ref: 1500

! species:  1,2-dibromotetrafluoroethane
! formula:  C_2Br_2F_4
! trivial:  
! casrn:    124-73-2
! inchikey: KVBKAPANDHPRDG-UHFFFAOYSA-N
Hvpx_____124_73_2 =  2.0E+06                                  ! [atm] type: V, ref: 3586
Hvpx_____124_73_2 =  2.0E+06                                  ! [atm] type: V, ref: 3088
Hvpx_____124_73_2 =  2.3E+03                                  ! [atm] type: Q, ref: 3586

! species:  1-bromo-2-fluorobenzene
! formula:  C_6H_4BrF
! trivial:  
! casrn:    1072-85-1
! inchikey: IPWBFGUBXWMIPR-UHFFFAOYSA-N
Hvpx____1072_85_1 =  1.3E+02                                  ! [atm] type: ?, ref: 3766

! species:  1-bromo-3-fluorobenzene
! formula:  C_6H_4BrF
! trivial:  
! casrn:    1073-06-9
! inchikey: QDFKKJYEIFBEFC-UHFFFAOYSA-N
Hvpx____1073_06_9 =  1.9E+02                                  ! [atm] type: ?, ref: 3766

! species:  1-bromo-4-fluorobenzene
! formula:  C_6H_4BrF
! trivial:  
! casrn:    460-00-4
! inchikey: AITNMTXHTIIIBB-UHFFFAOYSA-N
Hvpx_____460_00_4 =  1.0E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891

! species:  bromopentafluorobenzene
! formula:  C_6BrF_5
! trivial:  
! casrn:    344-04-7
! inchikey: XEKTVXADUPBFOA-UHFFFAOYSA-N
Hvpx_____344_04_7 =  2.6E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____344_04_7 =  3.3E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____344_04_7 =  4.0E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____344_04_7 =  8.2E+02                                  ! [atm] type: Q, ref: 2995

! species:  halfenprox
! formula:  C_{24}H_{23}BrF_2O_3
! trivial:  
! casrn:    111872-58-3
! inchikey: WIFXJBMOTMKRMM-UHFFFAOYSA-N
Hvpx__111872_58_3 =  2.9E-02                                  ! [atm] type: ?, ref: 3766

! species:  bromethalin
! formula:  C_{14}H_7Br_3F_3N_3O_4
! trivial:  
! casrn:    63333-35-7
! inchikey: USMZPYXTVKAYST-UHFFFAOYSA-N
Hvpx___63333_35_7 =  2.2E-04                                  ! [atm] type: Q, ref: 3088

! species:  brofluthrinate
! formula:  C_{26}H_{22}BrF_2NO_4
! trivial:  
! casrn:    160791-64-0
! inchikey: BUHNCQOJJZAOMJ-UHFFFAOYSA-N
Hvpx__160791_64_0 =  3.4E-02                                  ! [atm] type: ?, ref: 3766

! species:  bromochloromethane
! formula:  CH_2BrCl
! trivial:  
! casrn:    74-97-5
! inchikey: JPOXNPPZZKNXOV-UHFFFAOYSA-N
Hvpx______74_97_5 =  8.2E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______74_97_5 =  7.0E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______74_97_5 =  8.1E+01                                  ! [atm] type: V, ref: 3088
Hvpx______74_97_5 =  9.4E+01                                  ! [atm] type: V, ref: 2612
Hvpx______74_97_5 =  9.4E+01                                  ! [atm] type: V, ref: 635
Hvpx______74_97_5 =  8.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______74_97_5 =  5.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx______74_97_5 =  2.2E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______74_97_5 =  9.6E+01                                  ! [atm] type: Q, ref: 3731
Hvpx______74_97_5 =  1.0E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______74_97_5 =  8.8E+01                                  ! [atm] type: ?, ref: 2440

! species:  bromodichloromethane
! formula:  CHCl_2Br
! trivial:  
! casrn:    75-27-4
! inchikey: FMWLUWPQPKEARP-UHFFFAOYSA-N
Hvpx______75_27_4 =  1.4E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_27_4 =  1.4E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_27_4 =  1.4E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_27_4 =  1.4E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_27_4 =  1.4E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_27_4 =  1.4E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______75_27_4 =  1.1E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______75_27_4 =  1.4E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______75_27_4 =  1.4E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx______75_27_4 =  1.1E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______75_27_4 =  9.4E+01                                  ! [atm] type: M, ref: 3572
Hvpx______75_27_4 =  1.9E+02                                  ! [atm] type: M, ref: 2940
Hvpx______75_27_4 =  1.0E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______75_27_4 =  1.4E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 583
Hvpx______75_27_4 =  1.1E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx______75_27_4 =  1.2E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 531
Hvpx______75_27_4 =  1.6E+02 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx______75_27_4 =  1.2E+02                                  ! [atm] type: M, ref: 2900
Hvpx______75_27_4 =  1.3E+02                                  ! [atm] type: V, ref: 2612
Hvpx______75_27_4 =  1.3E+02                                  ! [atm] type: V, ref: 635
Hvpx______75_27_4 =  1.2E+02 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______75_27_4 =  7.1E+01                                  ! [atm] type: C, ref: 2521
Hvpx______75_27_4 =  1.3E+02                                  ! [atm] type: C, ref: 531
Hvpx______75_27_4 =  1.2E+02                                  ! [atm] type: C, ref: 531
Hvpx______75_27_4 =  1.2E+02                                  ! [atm] type: C, ref: 3083
Hvpx______75_27_4 =  6.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______75_27_4 =  5.8E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______75_27_4 =  1.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_27_4 =  1.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_27_4 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______75_27_4 =  1.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_27_4 =  2.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______75_27_4 =  1.1E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______75_27_4 =  1.7E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______75_27_4 =  1.2E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______75_27_4 =  8.8E+01                                  ! [atm] type: ?, ref: 2612
Hvpx______75_27_4 =  8.8E+01                                  ! [atm] type: ?, ref: 635

! species:  bromotrichloromethane
! formula:  CBrCl_3
! trivial:  
! casrn:    75-62-7
! inchikey: XNNQFQFUQLJSQT-UHFFFAOYSA-N
Hvpx______75_62_7 =  2.0E+01                                  ! [atm] type: Q, ref: 3088

! species:  dibromochloromethane
! formula:  CHClBr_2
! trivial:  
! casrn:    124-48-1
! inchikey: GATVIKZLVQHOMN-UHFFFAOYSA-N
Hvpx_____124_48_1 =  6.4E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____124_48_1 =  7.6E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____124_48_1 =  6.4E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____124_48_1 =  7.6E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____124_48_1 =  6.4E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____124_48_1 =  6.4E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____124_48_1 =  6.3E+01 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____124_48_1 =  6.4E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx_____124_48_1 =  6.4E+01 * EXP(  -5500.*(1./T-1./298.15)) ! [atm] type: L, ref: 747
Hvpx_____124_48_1 =  5.1E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx_____124_48_1 =  5.0E+01                                  ! [atm] type: M, ref: 3572
Hvpx_____124_48_1 =  1.2E+02                                  ! [atm] type: M, ref: 2940
Hvpx_____124_48_1 =  5.6E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx_____124_48_1 =  7.3E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 583
Hvpx_____124_48_1 =  5.8E+01 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 856
Hvpx_____124_48_1 =  6.4E+01 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 1156
Hvpx_____124_48_1 =  6.3E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 531
Hvpx_____124_48_1 =  6.4E+01 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2271
Hvpx_____124_48_1 =  4.3E+01                                  ! [atm] type: M, ref: 2900
Hvpx_____124_48_1 =  4.7E+01                                  ! [atm] type: V, ref: 2612
Hvpx_____124_48_1 =  4.6E+01                                  ! [atm] type: X, ref: usepa82
Hvpx_____124_48_1 =  4.4E+01 * EXP(  -2500.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx_____124_48_1 =  4.6E+01                                  ! [atm] type: C, ref: 531
Hvpx_____124_48_1 =  4.8E+01                                  ! [atm] type: C, ref: 531
Hvpx_____124_48_1 =  4.3E+01                                  ! [atm] type: C, ref: 3083
Hvpx_____124_48_1 =  1.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____124_48_1 =  2.5E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____124_48_1 =  4.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____124_48_1 =  3.4E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____124_48_1 =  4.7E+01                                  ! [atm] type: ?, ref: 635

! species:  1-chloro-2-bromoethane
! formula:  C_2H_4BrCl
! trivial:  
! casrn:    107-04-0
! inchikey: IBYHHJPAARCAIE-UHFFFAOYSA-N
Hvpx_____107_04_0 =  5.0E+01                                  ! [atm] type: V, ref: 642
Hvpx_____107_04_0 =  5.0E+01                                  ! [atm] type: C, ref: 3135
Hvpx_____107_04_0 =  4.6E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_04_0 =  1.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_04_0 =  3.1E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_04_0 =  9.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_04_0 =  4.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____107_04_0 =  3.2E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____107_04_0 =  1.5E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____107_04_0 =  5.0E+01                                  ! [atm] type: ?, ref: 3586

! species:  1,2-dibromo-1,1-dichloroethane
! formula:  C_2H_2Br_2Cl_2
! trivial:  
! casrn:    75-81-0
! inchikey: FIYBYNHDEOSJPL-UHFFFAOYSA-N
Hvpx______75_81_0 =  8.9E+00                                  ! [atm] type: Q, ref: 3088

! species:  1-bromo-3-chloropropane
! formula:  C_3H_6BrCl
! trivial:  
! casrn:    109-70-6
! inchikey: MFESCIUQSIBMSM-UHFFFAOYSA-N
Hvpx_____109_70_6 =  1.4E+01                                  ! [atm] type: Q, ref: 3088

! species:  1,2-dibromo-3-chloropropane
! formula:  C_3H_5Br_2Cl
! trivial:  
! casrn:    96-12-8
! inchikey: WBEJYOJJBDISQU-UHFFFAOYSA-N
Hvpx______96_12_8 =  5.6E+00 * EXP(  -7100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______96_12_8 =  1.1E+00 * EXP( -10000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2904
Hvpx______96_12_8 =  8.3E+00                                  ! [atm] type: V, ref: 3088
Hvpx______96_12_8 =  8.1E+00                                  ! [atm] type: V, ref: 1145
Hvpx______96_12_8 =  6.0E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______96_12_8 =  4.8E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______96_12_8 =  8.5E+00                                  ! [atm] type: Q, ref: 2535
Hvpx______96_12_8 =  2.6E+00                                  ! [atm] type: Q, ref: 3764
Hvpx______96_12_8 =  3.4E+01                                  ! [atm] type: Q, ref: 1145
Hvpx______96_12_8 =  1.4E+01                                  ! [atm] type: ?, ref: 3087

! species:  1,2,3,4,5-pentabromo-6-chlorocyclohexane
! formula:  C_6H_6Br_5Cl
! trivial:  
! casrn:    87-84-3
! inchikey: UZOSVZSBPTTWIG-UHFFFAOYSA-N
Hvpx______87_84_3 =  5.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______87_84_3 =  4.9E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______87_84_3 =  3.1E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______87_84_3 =  4.4E-02                                  ! [atm] type: Q, ref: 2995

! species:  1,2,3,4-tetrabromo-5,6-dichlorocyclohexane
! formula:  C_6H_6Br_4Cl_2
! trivial:  
! casrn:    UNKNOWN
! inchikey: GABFTOZBVQIDBB-UHFFFAOYSA-N
Hvpx_GABFTOZBVQIDBB_UHFFFAOYSA_N =  1.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_GABFTOZBVQIDBB_UHFFFAOYSA_N =  8.7E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_GABFTOZBVQIDBB_UHFFFAOYSA_N =  5.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_GABFTOZBVQIDBB_UHFFFAOYSA_N =  8.7E-02                                  ! [atm] type: Q, ref: 2995

! species:  1,2,3-tribromo-4,5,6-trichlorocyclohexane
! formula:  C_6H_6Br_3Cl_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZDEQCIGFZLZXBZ-UHFFFAOYSA-N
Hvpx_ZDEQCIGFZLZXBZ_UHFFFAOYSA_N =  4.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_ZDEQCIGFZLZXBZ_UHFFFAOYSA_N =  1.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_ZDEQCIGFZLZXBZ_UHFFFAOYSA_N =  1.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_ZDEQCIGFZLZXBZ_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 2995

! species:  1-bromo-4-chlorobenzene
! formula:  C_6H_4BrCl
! trivial:  
! casrn:    106-39-8
! inchikey: NHDODQWIKUYWMW-UHFFFAOYSA-N
Hvpx_____106_39_8 =  8.0E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____106_39_8 =  8.0E+01                                  ! [atm] type: V, ref: 479
Hvpx_____106_39_8 =  7.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____106_39_8 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_39_8 =  4.4E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_39_8 =  8.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____106_39_8 =  6.0E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____106_39_8 =  8.0E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____106_39_8 =  8.0E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____106_39_8 =  1.7E+01                                  ! [atm] type: Q, ref: 3764

! species:  1,2,4-tribromo-3,5,6-trichlorobenzene
! formula:  C_6Br_3Cl_3
! trivial:  
! casrn:    13075-01-9
! inchikey: XAIKFWSNTFEXDC-UHFFFAOYSA-N
Hvpx___13075_01_9 =  1.3E+01                                  ! [atm] type: Q, ref: 3088

! species:  1-(bromomethyl)-2-chlorobenzene
! formula:  C_7H_6BrCl
! trivial:  
! casrn:    611-17-6
! inchikey: PURSZYWBIQIANP-UHFFFAOYSA-N
Hvpx_____611_17_6 =  2.8E+01                                  ! [atm] type: Q, ref: 3088

! species:  2-bromo-4-chloro-1-methoxybenzene
! formula:  C_7H_6BrClO
! trivial:  2-bromo-4-chloroanisole
! casrn:    60633-25-2
! inchikey: YJEMGEBDXDPBSP-UHFFFAOYSA-N
Hvpx___60633_25_2 =  3.0E+01                                  ! [atm] type: M, ref: 1524

! species:  2-bromo-6-chloro-1-methoxybenzene
! formula:  C_7H_6BrClO
! trivial:  2-bromo-6-chloroanisole
! casrn:    174913-10-1
! inchikey: NWOYYECMNBWCNK-UHFFFAOYSA-N
Hvpx__174913_10_1 =  4.0E+01                                  ! [atm] type: M, ref: 1524

! species:  4-bromo-2-chloro-1-methoxybenzene
! formula:  C_7H_6BrClO
! trivial:  4-bromo-2-chloroanisole
! casrn:    50638-47-6
! inchikey: FPIQNBOUYZLESW-UHFFFAOYSA-N
Hvpx___50638_47_6 =  4.3E+01                                  ! [atm] type: M, ref: 1524

! species:  2-bromo-3,5-dichloro-1-methoxybenzene
! formula:  C_7H_5BrCl_2O
! trivial:  2-bromo-3,5-dichloroanisole
! casrn:    73931-43-8
! inchikey: LCHJNNXHVDDVAT-UHFFFAOYSA-N
Hvpx___73931_43_8 =  4.9E+01                                  ! [atm] type: M, ref: 1524

! species:  2-bromo-4,6-dichloro-1-methoxybenzene
! formula:  C_7H_5BrCl_2O
! trivial:  2-bromo-4,6-dichloroanisole
! casrn:    60633-26-3
! inchikey: OEYKUHBCPJRXGZ-UHFFFAOYSA-N
Hvpx___60633_26_3 =  6.7E+01 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3118
Hvpx___60633_26_3 =  4.5E+01                                  ! [atm] type: M, ref: 1524

! species:  4-bromo-2,3-dichloro-1-methoxybenzene
! formula:  C_7H_5BrCl_2O
! trivial:  4-bromo-2,3-dichloroanisole
! casrn:    109803-52-3
! inchikey: BTRCDLZQISXWHZ-UHFFFAOYSA-N
Hvpx__109803_52_3 =  5.0E+01                                  ! [atm] type: M, ref: 1524

! species:  4-bromo-2,6-dichloro-1-methoxybenzene
! formula:  C_7H_5BrCl_2O
! trivial:  4-bromo-2,6-dichloroanisole
! casrn:    19240-91-6
! inchikey: OAYSFAKCFYRCRU-UHFFFAOYSA-N
Hvpx___19240_91_6 =  4.4E+01 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3118
Hvpx___19240_91_6 =  4.5E+01                                  ! [atm] type: M, ref: 1524

! species:  4-bromo-3,5-dichloro-1-methoxybenzene
! formula:  C_7H_5BrCl_2O
! trivial:  4-bromo-3,5-dichloroanisole
! casrn:    174913-20-3
! inchikey: SVEZPKVUIXAEOX-UHFFFAOYSA-N
Hvpx__174913_20_3 =  4.9E+01                                  ! [atm] type: M, ref: 1524

! species:  3-bromo-2,4-dichloro-1-methoxybenzene
! formula:  C_7H_5BrCl_2O
! trivial:  3-bromo-2,4-dichloroanisole
! casrn:    174913-16-7
! inchikey: OXINPOQPENRUHL-UHFFFAOYSA-N
Hvpx__174913_16_7 =  4.6E+01                                  ! [atm] type: ?, ref: 3766

! species:  3-bromo-2,6-dichloro-1-methoxybenzene
! formula:  C_7H_5BrCl_2O
! trivial:  3-bromo-2,6-dichloroanisole
! casrn:    174913-18-9
! inchikey: ANLVZYYGYBXMIX-UHFFFAOYSA-N
Hvpx__174913_18_9 =  5.0E+01 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3118

! species:  5-bromo-2,4-dichloro-1-methoxybenzene
! formula:  C_7H_5BrCl_2O
! trivial:  5-bromo-2,4-dichloroanisole
! casrn:    174913-22-5
! inchikey: SJIIFORJBWPNPM-UHFFFAOYSA-N
Hvpx__174913_22_5 =  5.0E+01                                  ! [atm] type: M, ref: 1524

! species:  6-bromo-2,3-dichloro-1-methoxybenzene
! formula:  C_7H_5BrCl_2O
! trivial:  6-bromo-2,3-dichloroanisole
! casrn:    174913-23-6
! inchikey: PNLDDSLZYVNPQW-UHFFFAOYSA-N
Hvpx__174913_23_6 =  5.0E+01                                  ! [atm] type: M, ref: 1524

! species:  6-bromo-2,5-dichloro-1-methoxybenzene
! formula:  C_7H_5BrCl_2O
! trivial:  6-bromo-2,5-dichloroanisole
! casrn:    174913-14-5
! inchikey: BVSOVPUWHJWGEP-UHFFFAOYSA-N
Hvpx__174913_14_5 =  7.1E+01 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3118

! species:  2-bromo-3,4,5-trichloro-1-methoxybenzene
! formula:  C_7H_4BrCl_3O
! trivial:  2-bromo-3,4,5-trichloroanisole
! casrn:    UNKNOWN
! inchikey: JIVCPRHFBFVZQL-UHFFFAOYSA-N
Hvpx_JIVCPRHFBFVZQL_UHFFFAOYSA_N =  5.6E+01                                  ! [atm] type: M, ref: 1524

! species:  3-bromo-2,4,6-trichloro-1-methoxybenzene
! formula:  C_7H_4BrCl_3O
! trivial:  3-bromo-2,4,6-trichloroanisole
! casrn:    174913-28-1
! inchikey: OIHHRLYOSUNYTC-UHFFFAOYSA-N
Hvpx__174913_28_1 =  5.2E+01                                  ! [atm] type: M, ref: 1524

! species:  3-bromo-2,5,6-trichloro-1-methoxybenzene
! formula:  C_7H_4BrCl_3O
! trivial:  3-bromo-2,5,6-trichloroanisole
! casrn:    78647-93-5
! inchikey: ZUXVGCIQOSXRJN-UHFFFAOYSA-N
Hvpx___78647_93_5 =  5.2E+01                                  ! [atm] type: M, ref: 1524

! species:  4-bromo-2,3,6-trichloro-1-methoxybenzene
! formula:  C_7H_4BrCl_3O
! trivial:  4-bromo-2,3,6-trichloroanisole
! casrn:    78647-87-7
! inchikey: VZRSUQWPXPUWCS-UHFFFAOYSA-N
Hvpx___78647_87_7 =  5.2E+01                                  ! [atm] type: M, ref: 1524

! species:  6-bromo-2,3,4-trichloro-1-methoxybenzene
! formula:  C_7H_4BrCl_3O
! trivial:  6-bromo-2,3,4-trichloroanisole
! casrn:    UNKNOWN
! inchikey: GVCDCZPXMGMNTR-UHFFFAOYSA-N
Hvpx_GVCDCZPXMGMNTR_UHFFFAOYSA_N =  5.2E+01                                  ! [atm] type: M, ref: 1524

! species:  4-bromo-2,3,5,6-tetrachloro-1-methoxybenzene
! formula:  C_7H_3BrCl_4O
! trivial:  4-bromo-2,3,5,6-tetrachloroanisole
! casrn:    174913-33-8
! inchikey: YSVAURKXNCNUNS-UHFFFAOYSA-N
Hvpx__174913_33_8 =  5.9E+01                                  ! [atm] type: M, ref: 1524

! species:  2,4-dibromo-3-chloro-1-methoxybenzene
! formula:  C_7H_5Br_2ClO
! trivial:  2,4-dibromo-3-chloroanisole
! casrn:    UNKNOWN
! inchikey: YXYRJAVLYYNRCE-UHFFFAOYSA-N
Hvpx_YXYRJAVLYYNRCE_UHFFFAOYSA_N =  5.3E+01                                  ! [atm] type: ?, ref: 3766

! species:  2,4-dibromo-5-chloro-1-methoxybenzene
! formula:  C_7H_5Br_2ClO
! trivial:  2,4-dibromo-5-chloroanisole
! casrn:    174913-38-3
! inchikey: OTZRCEAVEJYZQS-UHFFFAOYSA-N
Hvpx__174913_38_3 =  5.4E+01                                  ! [atm] type: ?, ref: 3766

! species:  2,6-dibromo-3-chloro-1-methoxybenzene
! formula:  C_7H_5Br_2ClO
! trivial:  2,6-dibromo-3-chloroanisole
! casrn:    UNKNOWN
! inchikey: AHBGIHFKTBTQJP-UHFFFAOYSA-N
Hvpx_AHBGIHFKTBTQJP_UHFFFAOYSA_N =  7.4E+01 * EXP(   -770.*(1./T-1./298.15)) ! [atm] type: M, ref: 3118

! species:  2,6-dibromo-4-chloro-1-methoxybenzene
! formula:  C_7H_5Br_2ClO
! trivial:  2,6-dibromo-4-chloroanisole
! casrn:    174913-44-1
! inchikey: WHRDPXDGAMJNGH-UHFFFAOYSA-N
Hvpx__174913_44_1 =  2.8E+01 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3118
Hvpx__174913_44_1 =  4.9E+01                                  ! [atm] type: M, ref: 1524

! species:  2,4-dibromo-3,5-dichloro-1-methoxybenzene
! formula:  C_7H_4Br_2Cl_2O
! trivial:  2,4-dibromo-3,5-dichloroanisole
! casrn:    174913-52-1
! inchikey: YZMXEWDTXSTFIJ-UHFFFAOYSA-N
Hvpx__174913_52_1 =  6.0E+01                                  ! [atm] type: M, ref: 1524

! species:  2,4-dibromo-5,6-dichloro-1-methoxybenzene
! formula:  C_7H_4Br_2Cl_2O
! trivial:  2,4-dibromo-5,6-dichloroanisole
! casrn:    UNKNOWN
! inchikey: MUUDTVDSRYEMBU-UHFFFAOYSA-N
Hvpx_MUUDTVDSRYEMBU_UHFFFAOYSA_N =  5.6E+01                                  ! [atm] type: M, ref: 1524

! species:  2,3-dibromo-5,6-dichloro-1-methoxybenzene
! formula:  C_7H_4Br_2Cl_2O
! trivial:  2,3-dibromo-5,6-dichloroanisole
! casrn:    UNKNOWN
! inchikey: WDRCOFFEZVLCLX-UHFFFAOYSA-N
Hvpx_WDRCOFFEZVLCLX_UHFFFAOYSA_N =  6.0E+01                                  ! [atm] type: M, ref: 1524

! species:  2,6-dibromo-3,4,5-trichloro-1-methoxybenzene
! formula:  C_7H_3Br_2Cl_3O
! trivial:  2,6-dibromo-3,4,5-trichloroanisole
! casrn:    UNKNOWN
! inchikey: RFUGYJHXLQAXOX-UHFFFAOYSA-N
Hvpx_RFUGYJHXLQAXOX_UHFFFAOYSA_N =  6.3E+01                                  ! [atm] type: M, ref: 1524

! species:  2,4,6-tribromo-3-chloro-1-methoxybenzene
! formula:  C_7H_4Br_3ClO
! trivial:  2,4,6-tribromo-3-chloroanisole
! casrn:    174913-78-1
! inchikey: FWKUBDOTUFVPBX-UHFFFAOYSA-N
Hvpx__174913_78_1 =  6.0E+01                                  ! [atm] type: M, ref: 1524

! species:  2,3-dibromo-7,8-dichlorodibenzo-$p$-dioxin
! formula:  C_{12}H_4Br_2Cl_2O_2
! trivial:  
! casrn:    50585-40-5
! inchikey: SBSJXPIUKNBZND-UHFFFAOYSA-N
Hvpx___50585_40_5 =  1.7E-01                                  ! [atm] type: ?, ref: 3766

! species:  2',4',5',7'-tetrabromo-3,4,5,6-tetrachlorofluorescein
! formula:  C_{20}H_4Br_4Cl_4O_5
! trivial:  
! casrn:    13473-26-2
! inchikey: ZYIBVBKZZZDFOY-UHFFFAOYSA-N
Hvpx___13473_26_2 =  3.7E-14                                  ! [atm] type: Q, ref: 2995
Hvpx___13473_26_2 =  2.8E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___13473_26_2 =  6.8E-12                                  ! [atm] type: Q, ref: 2995
Hvpx___13473_26_2 =  2.5E-09                                  ! [atm] type: Q, ref: 2995

! species:  bromochloroacetonitrile
! formula:  C_2HBrClN
! trivial:  
! casrn:    83463-62-1
! inchikey: BMWPPNAUMLRKML-UHFFFAOYSA-N
Hvpx___83463_62_1 =  6.6E-02                                  ! [atm] type: Q, ref: 3088

! species:  N,N'-dimethyl-3,3',4-tribromo-4,5,5'-trichloro-2,2'-bipyrrole
! formula:  C_{10}H_6Br_3Cl_3N_2
! trivial:  DBP-Br3Cl3a
! casrn:    400766-93-0
! inchikey: JSQYFPHYSOZLPT-UHFFFAOYSA-N
Hvpx__400766_93_0 =  7.6E-02                                  ! [atm] type: V, ref: 2469
Hvpx__400766_93_0 =  5.8E-02                                  ! [atm] type: Q, ref: 2521

! species:  N,N'-dimethyl- 3,4,4'-tribromo-3',5,5'-trichloro-2,2'-bipyrrole
! formula:  C_{10}H_6Br_3Cl_3N_2
! trivial:  DBP-Br3Cl3b
! casrn:    666856-68-4
! inchikey: GUWAXPTVCYBOMV-UHFFFAOYSA-N
Hvpx__666856_68_4 =  1.6E-02                                  ! [atm] type: V, ref: 2469
Hvpx__666856_68_4 =  5.8E-02                                  ! [atm] type: Q, ref: 2521

! species:  N,N'-dimethyl-3,3',4,4'-tetrabromo-5,5'-dichloro-2,2'-bipyrrole
! formula:  C_{10}H_6Br_4Cl_2N_2
! trivial:  DBP-Br4Cl2
! casrn:    253798-64-0
! inchikey: FQGSQKFVAAJWFY-UHFFFAOYSA-N
Hvpx__253798_64_0 =  2.0E-02                                  ! [atm] type: V, ref: 2469
Hvpx__253798_64_0 =  3.0E-02                                  ! [atm] type: Q, ref: 2521

! species:  N,N'-dimethyl-3,3',4,4',5-pentabromo-5'-chloro-2,2'-bipyrrole
! formula:  C_{10}H_6Br_5ClN_2
! trivial:  DBP-Br5Cl
! casrn:    400767-00-2
! inchikey: LIYSVIAQQQEQBT-UHFFFAOYSA-N
Hvpx__400767_00_2 =  3.7E-03                                  ! [atm] type: V, ref: 2469
Hvpx__400767_00_2 =  1.8E-02                                  ! [atm] type: Q, ref: 2521

! species:  1-bromo-3-chloro-5,5-dimethylhydantoin
! formula:  C_5H_6BrClN_2O_2
! trivial:  
! casrn:    16079-88-2
! inchikey: PIEXCQIOSMOEOU-UHFFFAOYSA-N
Hvpx___16079_88_2 =  4.5E-02                                  ! [atm] type: Q, ref: 3088

! species:  3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea
! formula:  C_9H_{10}BrClN_2O_2
! trivial:  chlorbromuron
! casrn:    13360-45-7
! inchikey: NLYNUTMZTCLNOO-UHFFFAOYSA-N
Hvpx___13360_45_7 =  2.4E-04                                  ! [atm] type: V, ref: 3088
Hvpx___13360_45_7 =  1.7E-04                                  ! [atm] type: V, ref: 2614
Hvpx___13360_45_7 =  2.2E-04                                  ! [atm] type: ?, ref: 3087

! species:  N-(4-bromo-2,6-dichloro-3-methylphenyl)acetamide
! formula:  C_9H_8BrCl_2NO
! trivial:  
! casrn:    68399-95-1
! inchikey: MRPNWLPYJSSISQ-UHFFFAOYSA-N
Hvpx___68399_95_1 =  8.2E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___68399_95_1 =  8.7E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___68399_95_1 =  2.6E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___68399_95_1 =  8.3E-05                                  ! [atm] type: Q, ref: 2995

! species:  halacrinate
! formula:  C_{12}H_7NO_2BrCl
! trivial:  
! casrn:    34462-96-9
! inchikey: YDNLKBDXQCHOTH-UHFFFAOYSA-N
Hvpx___34462_96_9 =  2.3E-03                                  ! [atm] type: ?, ref: 3087

! species:  bromuconazole
! formula:  C_{13}H_{12}BrCl_2N_3O
! trivial:  
! casrn:    116255-48-2
! inchikey: HJJVPARKXDDIQD-UHFFFAOYSA-N
Hvpx__116255_48_2 =  1.7E-05                                  ! [atm] type: V, ref: 3586
Hvpx__116255_48_2 =  4.5E-06                                  ! [atm] type: V, ref: 3088
Hvpx__116255_48_2 =  3.8E-03                                  ! [atm] type: Q, ref: 3586
Hvpx__116255_48_2 =  4.8E-06                                  ! [atm] type: ?, ref: 3549

! species:  ($\pm$)-($2R^*$,$4S^*$)-bromuconazole
! formula:  C_{13}H_{12}BrCl_2N_3O
! trivial:  
! casrn:    114544-80-8
! inchikey: UNKNOWN
Hvpx__114544_80_8 =  8.5E-06                                  ! [atm] type: ?, ref: 3766

! species:  ($\pm$)-($2R^*$,$4R^*$)-bromuconazole
! formula:  C_{13}H_{12}BrCl_2N_3O
! trivial:  
! casrn:    114544-81-9
! inchikey: UNKNOWN
Hvpx__114544_81_9 =  5.8E-06                                  ! [atm] type: ?, ref: 3766

! species:  5,7-dibromo-2-(5-bromo-7-chloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one
! formula:  C_{16}H_6Br_3ClN_2O_2
! trivial:  
! casrn:    85702-64-3
! inchikey: UOWUGDPSFZLTMZ-BUHFOSPRSA-N
Hvpx___85702_64_3 =  1.3E-10                                  ! [atm] type: Q, ref: 2995
Hvpx___85702_64_3 =  1.7E-16                                  ! [atm] type: Q, ref: 2995
Hvpx___85702_64_3 =  2.2E-06                                  ! [atm] type: Q, ref: 2995
Hvpx___85702_64_3 =  6.2E-11                                  ! [atm] type: Q, ref: 2995

! species:  chlorantraniliprole
! formula:  C_{18}H_{14}BrCl_2N_5O_2
! trivial:  
! casrn:    500008-45-7
! inchikey: IZCBNTYXTMZSDP-UHFFFAOYSA-N
Hvpx__500008_45_7 =  7.7E-17                                  ! [atm] type: Q, ref: 3088
Hvpx__500008_45_7 =  1.7E-09                                  ! [atm] type: ?, ref: 3549

! species:  cyantraniliprole
! formula:  C_{19}H_{14}BrClN_6O_2
! trivial:  
! casrn:    736994-63-1
! inchikey: DVBUIBGJRQBEDP-UHFFFAOYSA-N
Hvpx__736994_63_1 =  9.3E-14                                  ! [atm] type: ?, ref: 3549

! species:  tribromofluoromethane
! formula:  CBr_3F
! trivial:  
! casrn:    353-54-8
! inchikey: IHZAEIHJPNTART-UHFFFAOYSA-N
Hvpx_____353_54_8 =  3.7E+02                                  ! [atm] type: V, ref: 1943

! species:  bromochlorodifluoromethane
! formula:  CBrClF_2
! trivial:  
! casrn:    353-59-3
! inchikey: MEXUFEQDCXZEON-UHFFFAOYSA-N
Hvpx_____353_59_3 =  9.0E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____353_59_3 =  5.2E+03                                  ! [atm] type: Q, ref: 3088
Hvpx_____353_59_3 =  2.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____353_59_3 =  8.5E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____353_59_3 =  6.3E+03                                  ! [atm] type: Q, ref: 2521
Hvpx_____353_59_3 =  9.2E+03                                  ! [atm] type: ?, ref: 2440

! species:  1-bromo-1-chloro-2,2,2-trifluoroethane
! formula:  C_2HBrClF_3
! trivial:  halothane
! casrn:    151-67-7
! inchikey: BCQZXOMGPXTTIC-UHFFFAOYSA-N
Hvpx_____151_67_7 =  9.8E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx_____151_67_7 =  1.8E+03                                  ! [atm] type: L, ref: 2441
Hvpx_____151_67_7 =  1.0E+03 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3696
Hvpx_____151_67_7 =  1.9E+03                                  ! [atm] type: M, ref: 2924
Hvpx_____151_67_7 =  1.6E+03                                  ! [atm] type: M, ref: 2444
Hvpx_____151_67_7 =  1.0E+03 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2445
Hvpx_____151_67_7 =  1.7E+03                                  ! [atm] type: M, ref: 2467
Hvpx_____151_67_7 =  1.6E+03                                  ! [atm] type: M, ref: 3710
Hvpx_____151_67_7 =  1.1E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____151_67_7 =  1.3E+03                                  ! [atm] type: Q, ref: 3730
Hvpx_____151_67_7 =  2.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____151_67_7 =  1.1E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____151_67_7 =  6.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____151_67_7 =  3.2E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____151_67_7 =  5.3E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____151_67_7 =  1.1E+03                                  ! [atm] type: ?, ref: 3586
Hvpx_____151_67_7 =  1.1E+03                                  ! [atm] type: ?, ref: 3088
Hvpx_____151_67_7 =  1.2E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____151_67_7 =  1.6E+03                                  ! [atm] type: ?, ref: 3614
Hvpx_____151_67_7 =  1.1E+03                                  ! [atm] type: ?, ref: 1500

! species:  tralopyril
! formula:  C_{12}H_5BrClF_3N_2
! trivial:  
! casrn:    122454-29-9
! inchikey: XNFIRYXKTXAHAC-UHFFFAOYSA-N
Hvpx__122454_29_9 =  1.2E-04                                  ! [atm] type: ?, ref: 3766

! species:  chlorfenapyr
! formula:  C_{15}H_{11}BrClF_3N_2O
! trivial:  
! casrn:    122453-73-0
! inchikey: CWFOCCVIPCEQCK-UHFFFAOYSA-N
Hvpx__122453_73_0 =  3.2E-04                                  ! [atm] type: Q, ref: 3088

! species:  fluazolate
! formula:  C_{15}H_{12}N_2O_2BrClF_4
! trivial:  
! casrn:    174514-07-9
! inchikey: FKLQIONHGSFYJY-UHFFFAOYSA-N
Hvpx__174514_07_9 =  4.3E-02                                  ! [atm] type: ?, ref: 3087

! species:  iodomethane
! formula:  CH_3I
! trivial:  methyl iodide
! casrn:    74-88-4
! inchikey: INQOMBQAUSQDDS-UHFFFAOYSA-N
Hvpx______74_88_4 =  2.8E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_88_4 =  3.7E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_88_4 =  2.8E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_88_4 =  3.7E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_88_4 =  2.8E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______74_88_4 =  2.8E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______74_88_4 =  2.8E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______74_88_4 =  2.8E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______74_88_4 =  3.0E+02 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______74_88_4 =  4.0E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 3564
Hvpx______74_88_4 =  2.8E+02                                  ! [atm] type: M, ref: 892
Hvpx______74_88_4 =  3.8E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 583
Hvpx______74_88_4 =  2.7E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 1342
Hvpx______74_88_4 =  2.9E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 608
Hvpx______74_88_4 =  2.7E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2952
Hvpx______74_88_4 =  3.1E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 1340
Hvpx______74_88_4 =  2.9E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2222
Hvpx______74_88_4 =  2.9E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx______74_88_4 =  3.0E+02                                  ! [atm] type: V, ref: 2612
Hvpx______74_88_4 =  2.9E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: V, ref: 1943
Hvpx______74_88_4 =  3.0E+02                                  ! [atm] type: V, ref: 635
Hvpx______74_88_4 =  3.0E+02                                  ! [atm] type: V, ref: 1497
Hvpx______74_88_4 =  3.0E+02                                  ! [atm] type: V, ref: 642
Hvpx______74_88_4 =  1.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______74_88_4 =  3.2E+02                                  ! [atm] type: C, ref: 563
Hvpx______74_88_4 =  6.2E+01                                  ! [atm] type: Q, ref: 3730
Hvpx______74_88_4 =  1.5E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______74_88_4 =  7.4E+01                                  ! [atm] type: Q, ref: 3406
Hvpx______74_88_4 =  3.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______74_88_4 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______74_88_4 =  2.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______74_88_4 =  1.6E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______74_88_4 =  2.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______74_88_4 =  8.0E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______74_88_4 =  2.9E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______74_88_4 =  2.6E+03                                  ! [atm] type: Q, ref: 2543
Hvpx______74_88_4 =  6.2E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______74_88_4 =  3.0E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______74_88_4 =  1.5E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______74_88_4 =  2.9E+02                                  ! [atm] type: ?, ref: 3586
Hvpx______74_88_4 =  3.0E+02                                  ! [atm] type: ?, ref: 2612
Hvpx______74_88_4 =  1.6E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______74_88_4 =  3.0E+02                                  ! [atm] type: ?, ref: 635
Hvpx______74_88_4 =  1.6E+02                                  ! [atm] type: ?, ref: 789

! species:  diiodomethane
! formula:  CH_2I_2
! trivial:  
! casrn:    75-11-6
! inchikey: NZZFYRREKKOMAT-UHFFFAOYSA-N
Hvpx______75_11_6 =  2.4E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_11_6 =  2.4E+01 * EXP(  -5300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_11_6 =  2.3E+01 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 583
Hvpx______75_11_6 =  1.7E+01                                  ! [atm] type: V, ref: 635
Hvpx______75_11_6 =  5.5E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______75_11_6 =  8.8E+00                                  ! [atm] type: Q, ref: 2546
Hvpx______75_11_6 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx______75_11_6 =  7.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx______75_11_6 =  4.3E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______75_11_6 =  2.0E+01                                  ! [atm] type: Q, ref: 3731
Hvpx______75_11_6 =  1.8E+01                                  ! [atm] type: Q, ref: 3764
Hvpx______75_11_6 =  1.9E+01                                  ! [atm] type: ?, ref: 2440
Hvpx______75_11_6 =  2.0E+01                                  ! [atm] type: ?, ref: 789
Hvpx______75_11_6 =  2.0E+01                                  ! [atm] type: ?, ref: 1500

! species:  triiodomethane
! formula:  CHI_3
! trivial:  iodoform
! casrn:    75-47-8
! inchikey: OKJPEAGHQZHRQV-UHFFFAOYSA-N
Hvpx______75_47_8 =  8.8E+01                                  ! [atm] type: V, ref: 1943
Hvpx______75_47_8 =  1.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_47_8 =  1.7E+05                                  ! [atm] type: Q, ref: 3088
Hvpx______75_47_8 =  1.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______75_47_8 =  4.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_47_8 =  1.6E+02                                  ! [atm] type: ?, ref: 789

! species:  iodoethane
! formula:  C_2H_5I
! trivial:  
! casrn:    75-03-6
! inchikey: HVTICUPFWKNHNG-UHFFFAOYSA-N
Hvpx______75_03_6 =  4.0E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_03_6 =  4.0E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_03_6 =  3.7E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_03_6 =  3.7E+02 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______75_03_6 =  4.0E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3564
Hvpx______75_03_6 =  3.9E+02                                  ! [atm] type: M, ref: 2493
Hvpx______75_03_6 =  3.7E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx______75_03_6 =  3.9E+02                                  ! [atm] type: V, ref: 3586
Hvpx______75_03_6 =  3.8E+02                                  ! [atm] type: V, ref: 2612
Hvpx______75_03_6 =  2.8E+02                                  ! [atm] type: V, ref: 635
Hvpx______75_03_6 =  3.9E+02                                  ! [atm] type: V, ref: 1497
Hvpx______75_03_6 =  4.0E+02                                  ! [atm] type: V, ref: 642
Hvpx______75_03_6 =  3.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_03_6 =  4.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______75_03_6 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_03_6 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_03_6 =  4.4E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_03_6 =  3.2E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______75_03_6 =  2.9E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_03_6 =  4.8E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______75_03_6 =  1.3E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______75_03_6 =  2.5E+03                                  ! [atm] type: Q, ref: 2543
Hvpx______75_03_6 =  4.7E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______75_03_6 =  4.3E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______75_03_6 =  4.6E+02                                  ! [atm] type: Q, ref: 2482
Hvpx______75_03_6 =  3.9E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______75_03_6 =  5.0E+02                                  ! [atm] type: ?, ref: 3614
Hvpx______75_03_6 =  3.0E+02                                  ! [atm] type: ?, ref: 789
Hvpx______75_03_6 =  3.9E+02                                  ! [atm] type: ?, ref: 1500

! species:  ($E$)-1,2-diiodoethene
! formula:  C_2H_2I_2
! trivial:  
! casrn:    590-27-2
! inchikey: CVOGMKGEVNGRSK-OWOJBTEDSA-N
Hvpx_____590_27_2 =  1.6E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____590_27_2 =  9.2E+01                                  ! [atm] type: Q, ref: 3586

! species:  1-iodopropane
! formula:  C_3H_7I
! trivial:  propyl iodide
! casrn:    107-08-4
! inchikey: PVWOIHVRPOBWPI-UHFFFAOYSA-N
Hvpx_____107_08_4 =  5.2E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____107_08_4 =  4.9E+02                                  ! [atm] type: M, ref: 2493
Hvpx_____107_08_4 =  5.2E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx_____107_08_4 =  5.0E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____107_08_4 =  5.1E+02                                  ! [atm] type: V, ref: 2612
Hvpx_____107_08_4 =  5.1E+02                                  ! [atm] type: V, ref: 635
Hvpx_____107_08_4 =  5.5E+02                                  ! [atm] type: V, ref: 1497
Hvpx_____107_08_4 =  5.0E+02                                  ! [atm] type: V, ref: 642
Hvpx_____107_08_4 =  4.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____107_08_4 =  4.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_08_4 =  1.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____107_08_4 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_08_4 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_08_4 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____107_08_4 =  5.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____107_08_4 =  3.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_08_4 =  2.3E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____107_08_4 =  4.8E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____107_08_4 =  2.8E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____107_08_4 =  5.1E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____107_08_4 =  4.8E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____107_08_4 =  5.5E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____107_08_4 =  5.8E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____107_08_4 =  5.0E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____107_08_4 =  4.6E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____107_08_4 =  5.5E+02                                  ! [atm] type: ?, ref: 1500

! species:  2-iodopropane
! formula:  C_3H_7I
! trivial:  isopropyl iodide
! casrn:    75-30-9
! inchikey: FMKOJHQHASLBPH-UHFFFAOYSA-N
Hvpx______75_30_9 =  6.4E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_30_9 =  6.5E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx______75_30_9 =  3.8E+02                                  ! [atm] type: V, ref: 3586
Hvpx______75_30_9 =  6.2E+02                                  ! [atm] type: V, ref: 642
Hvpx______75_30_9 =  5.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_30_9 =  9.6E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______75_30_9 =  8.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx______75_30_9 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_30_9 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx______75_30_9 =  5.5E+02                                  ! [atm] type: Q, ref: 2546
Hvpx______75_30_9 =  5.1E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______75_30_9 =  6.9E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_30_9 =  3.2E+03                                  ! [atm] type: Q, ref: 2530
Hvpx______75_30_9 =  3.7E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______75_30_9 =  3.0E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______75_30_9 =  6.9E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______75_30_9 =  5.6E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______75_30_9 =  6.3E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______75_30_9 =  1.0E+03                                  ! [atm] type: Q, ref: 2482
Hvpx______75_30_9 =  6.3E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______75_30_9 =  5.0E+02                                  ! [atm] type: ?, ref: 789

! species:  1-iodobutane
! formula:  C_4H_9I
! trivial:  
! casrn:    542-69-8
! inchikey: KMGBZBJJOKUPIA-UHFFFAOYSA-N
Hvpx_____542_69_8 =  8.0E+02                                  ! [atm] type: L, ref: 3518
Hvpx_____542_69_8 =  9.2E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____542_69_8 =  1.0E+03                                  ! [atm] type: V, ref: 2612
Hvpx_____542_69_8 =  1.0E+03                                  ! [atm] type: V, ref: 635
Hvpx_____542_69_8 =  9.0E+02                                  ! [atm] type: V, ref: 1497
Hvpx_____542_69_8 =  8.7E+02                                  ! [atm] type: V, ref: 642
Hvpx_____542_69_8 =  4.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____542_69_8 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____542_69_8 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____542_69_8 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____542_69_8 =  4.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____542_69_8 =  3.1E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____542_69_8 =  8.2E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____542_69_8 =  6.9E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____542_69_8 =  4.8E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____542_69_8 =  7.3E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____542_69_8 =  7.3E+02                                  ! [atm] type: Q, ref: 2482
Hvpx_____542_69_8 =  8.9E+02                                  ! [atm] type: ?, ref: 1500

! species:  2-iodobutane
! formula:  C_4H_9I
! trivial:  
! casrn:    513-48-4
! inchikey: IQRUSQUYPCHEKN-UHFFFAOYSA-N
Hvpx_____513_48_4 =  1.1E+03                                  ! [atm] type: V, ref: 3586
Hvpx_____513_48_4 =  9.6E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____513_48_4 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____513_48_4 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____513_48_4 =  7.0E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____513_48_4 =  7.8E+02                                  ! [atm] type: Q, ref: 2521

! species:  1-iodopentane
! formula:  C_5H_{11}I
! trivial:  
! casrn:    628-17-1
! inchikey: BLXSFCHWMBESKV-UHFFFAOYSA-N
Hvpx_____628_17_1 =  9.2E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____628_17_1 =  4.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____628_17_1 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_17_1 =  1.1E+03                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_17_1 =  8.8E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____628_17_1 =  5.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____628_17_1 =  3.8E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____628_17_1 =  9.4E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____628_17_1 =  9.6E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____628_17_1 =  1.1E+03                                  ! [atm] type: ?, ref: 3586
Hvpx_____628_17_1 =  1.1E+03                                  ! [atm] type: ?, ref: 1500

! species:  1-iodohexane
! formula:  C_6H_{13}I
! trivial:  
! casrn:    638-45-9
! inchikey: ANOOTOPTCJRUPK-UHFFFAOYSA-N
Hvpx_____638_45_9 =  1.6E+03                                  ! [atm] type: L, ref: 3518
Hvpx_____638_45_9 =  6.8E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____638_45_9 =  4.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____638_45_9 =  6.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____638_45_9 =  4.7E+03                                  ! [atm] type: Q, ref: 2530
Hvpx_____638_45_9 =  1.3E+03                                  ! [atm] type: Q, ref: 2543
Hvpx_____638_45_9 =  1.2E+03                                  ! [atm] type: Q, ref: 984
Hvpx_____638_45_9 =  1.6E+03                                  ! [atm] type: ?, ref: 3586
Hvpx_____638_45_9 =  1.6E+03                                  ! [atm] type: ?, ref: 1500

! species:  1-iodoheptane
! formula:  C_7H_{15}I
! trivial:  
! casrn:    4282-40-0
! inchikey: LMHCYRULPLGEEZ-UHFFFAOYSA-N
Hvpx____4282_40_0 =  2.1E+03                                  ! [atm] type: V, ref: 1497
Hvpx____4282_40_0 =  5.1E+02                                  ! [atm] type: Q, ref: 3730
Hvpx____4282_40_0 =  4.4E+02                                  ! [atm] type: Q, ref: 3586
Hvpx____4282_40_0 =  1.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx____4282_40_0 =  1.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx____4282_40_0 =  1.8E+03                                  ! [atm] type: Q, ref: 2546
Hvpx____4282_40_0 =  8.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx____4282_40_0 =  5.7E+03                                  ! [atm] type: Q, ref: 2530
Hvpx____4282_40_0 =  1.7E+03                                  ! [atm] type: Q, ref: 2543
Hvpx____4282_40_0 =  1.6E+03                                  ! [atm] type: Q, ref: 984
Hvpx____4282_40_0 =  2.1E+03                                  ! [atm] type: ?, ref: 3586
Hvpx____4282_40_0 =  2.1E+03                                  ! [atm] type: ?, ref: 1500

! species:  iodocyclohexane
! formula:  C_6H_{11}I
! trivial:  
! casrn:    626-62-0
! inchikey: FUCOMWZKWIEKRK-UHFFFAOYSA-N
Hvpx_____626_62_0 =  1.4E+02                                  ! [atm] type: Q, ref: 2521

! species:  3-iodo-1-propene
! formula:  C_3H_5I
! trivial:  
! casrn:    556-56-9
! inchikey: HFEHLDPGIKPNKL-UHFFFAOYSA-N
Hvpx_____556_56_9 =  1.5E+02                                  ! [atm] type: Q, ref: 2521

! species:  1-iodocyclohexene
! formula:  C_6H_9I
! trivial:  
! casrn:    17497-53-9
! inchikey: CAROGICRCNKEOD-UHFFFAOYSA-N
Hvpx___17497_53_9 =  1.3E+02                                  ! [atm] type: Q, ref: 2521

! species:  iodobenzene
! formula:  C_6H_5I
! trivial:  
! casrn:    591-50-4
! inchikey: SNHMUERNLJLMHN-UHFFFAOYSA-N
Hvpx_____591_50_4 =  7.1E+01                                  ! [atm] type: L, ref: 479
Hvpx_____591_50_4 =  7.2E+01                                  ! [atm] type: M, ref: 2457
Hvpx_____591_50_4 =  4.6E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____591_50_4 =  4.6E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____591_50_4 =  6.9E+01                                  ! [atm] type: V, ref: 2165
Hvpx_____591_50_4 =  4.3E+01                                  ! [atm] type: V, ref: 635
Hvpx_____591_50_4 =  7.9E+01                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____591_50_4 =  6.4E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____591_50_4 =  7.1E+01                                  ! [atm] type: Q, ref: 3689
Hvpx_____591_50_4 =  6.8E+00                                  ! [atm] type: Q, ref: 3406
Hvpx_____591_50_4 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_50_4 =  2.8E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_50_4 =  7.0E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____591_50_4 =  7.9E+01                                  ! [atm] type: Q, ref: 3579
Hvpx_____591_50_4 =  3.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____591_50_4 =  7.9E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____591_50_4 =  7.1E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____591_50_4 =  6.6E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____591_50_4 =  2.4E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____591_50_4 =  8.5E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____591_50_4 =  1.5E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____591_50_4 =  7.9E+01                                  ! [atm] type: ?, ref: 2440
Hvpx_____591_50_4 =  7.4E+01                                  ! [atm] type: ?, ref: 789
Hvpx_____591_50_4 =  7.1E+01                                  ! [atm] type: ?, ref: 1500

! species:  iodoacetic acid
! formula:  C_2H_3IO_2
! trivial:  
! casrn:    64-69-7
! inchikey: JDNTWHVOXJZDSN-UHFFFAOYSA-N
Hvpx______64_69_7 =  2.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  2-iodophenol
! formula:  C_6H_5IO
! trivial:  
! casrn:    533-58-4
! inchikey: KQDJTBPASNJQFQ-UHFFFAOYSA-N
Hvpx_____533_58_4 =  3.8E-02                                  ! [atm] type: R, ref: 1501
Hvpx_____533_58_4 =  8.0E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____533_58_4 =  3.8E-02                                  ! [atm] type: Q, ref: 2535
Hvpx_____533_58_4 =  3.7E-02                                  ! [atm] type: Q, ref: 2543
Hvpx_____533_58_4 =  3.5E-03                                  ! [atm] type: Q, ref: 984

! species:  3-iodophenol
! formula:  C_6H_5IO
! trivial:  
! casrn:    626-02-8
! inchikey: FXTKWBZFNQHAAO-UHFFFAOYSA-N
Hvpx_____626_02_8 =  7.8E-03                                  ! [atm] type: Q, ref: 2521

! species:  4-iodophenol
! formula:  C_6H_5IO
! trivial:  
! casrn:    540-38-5
! inchikey: VSMDINRNYYEDRN-UHFFFAOYSA-N
Hvpx_____540_38_5 =  1.2E-02                                  ! [atm] type: Q, ref: 2521

! species:  erythrosine
! formula:  C_{20}H_8I_4O_5
! trivial:  
! casrn:    16423-68-0
! inchikey: OALHHIHQOFIMEF-UHFFFAOYSA-N
Hvpx___16423_68_0 =  1.4E-14                                  ! [atm] type: Q, ref: 2995
Hvpx___16423_68_0 =  2.4E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___16423_68_0 =  6.3E-12                                  ! [atm] type: Q, ref: 2995
Hvpx___16423_68_0 =  1.1E-10                                  ! [atm] type: Q, ref: 2995

! species:  4-hydroxy-3,5-diiodo-benzonitrile
! formula:  C_7H_3I_2NO
! trivial:  ioxynil
! casrn:    1689-83-4
! inchikey: NRXQIUSYPAHGNM-UHFFFAOYSA-N
Hvpx____1689_83_4 =  4.1E-03                                  ! [atm] type: V, ref: 2614
Hvpx____1689_83_4 =  3.0E-05                                  ! [atm] type: Q, ref: 3088

! species:  3-iodo-2-propynyl butylcarbamate
! formula:  C_8H_{12}INO_2
! trivial:  
! casrn:    55406-53-6
! inchikey: WYVVKGNFXHOCQV-UHFFFAOYSA-N
Hvpx___55406_53_6 =  6.6E-03                                  ! [atm] type: V, ref: 3088

! species:  diatrizoic acid
! formula:  C_{11}H_9I_3N_2O_4
! trivial:  
! casrn:    117-96-4
! inchikey: YVPYQUNUQOZFHG-UHFFFAOYSA-N
Hvpx_____117_96_4 =  1.6E-13                                  ! [atm] type: Q, ref: 2995
Hvpx_____117_96_4 =  1.0E-09                                  ! [atm] type: Q, ref: 2995
Hvpx_____117_96_4 =  4.7E-18                                  ! [atm] type: Q, ref: 2995
Hvpx_____117_96_4 =  1.7E-17                                  ! [atm] type: Q, ref: 2995

! species:  iothalamic acid
! formula:  C_{11}H_9I_3N_2O_4
! trivial:  
! casrn:    2276-90-6
! inchikey: UXIGWFXRQKWHHA-UHFFFAOYSA-N
Hvpx____2276_90_6 =  1.2E-13                                  ! [atm] type: Q, ref: 2995
Hvpx____2276_90_6 =  1.1E-10                                  ! [atm] type: Q, ref: 2995
Hvpx____2276_90_6 =  1.3E-17                                  ! [atm] type: Q, ref: 2995
Hvpx____2276_90_6 =  2.9E-17                                  ! [atm] type: Q, ref: 2995

! species:  benodanil
! formula:  C_{13}H_{10}INO
! trivial:  
! casrn:    15310-01-7
! inchikey: LJOZMWRYMKECFF-UHFFFAOYSA-N
Hvpx___15310_01_7 =  8.8E-07                                  ! [atm] type: V, ref: 2614
Hvpx___15310_01_7 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  proquinazid
! formula:  C_{14}H_{17}IN_2O_2
! trivial:  
! casrn:    189278-12-4
! inchikey: FLVBXVXXXMLMOX-UHFFFAOYSA-N
Hvpx__189278_12_4 =  1.6E-02                                  ! [atm] type: ?, ref: 3549

! species:  iopamidol
! formula:  C_{17}H_{22}I_3N_3O_8
! trivial:  
! casrn:    60166-93-0
! inchikey: XQZXYNRDCRIARQ-LURJTMIESA-N
Hvpx___60166_93_0 =  6.1E-21                                  ! [atm] type: Q, ref: 3088

! species:  ioxaglic acid
! formula:  C_{24}H_{21}I_6N_5O_8
! trivial:  
! casrn:    59017-64-0
! inchikey: TYYBFXNZMFNZJT-UHFFFAOYSA-N
Hvpx___59017_64_0 =  2.0E-36                                  ! [atm] type: Q, ref: 2995
Hvpx___59017_64_0 =  4.0E-28                                  ! [atm] type: Q, ref: 2995
Hvpx___59017_64_0 =  2.7E-30                                  ! [atm] type: Q, ref: 2995
Hvpx___59017_64_0 =  7.6E-40                                  ! [atm] type: Q, ref: 2995

! species:  perfluorohexyl iodide
! formula:  C_6F_{13}I
! trivial:  
! casrn:    355-43-1
! inchikey: BULLJMKUVKYZDJ-UHFFFAOYSA-N
Hvpx_____355_43_1 =  1.2E+03 * EXP(  -8200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3939

! species:  1,1,1,2,2,3,3-heptafluoro-5-iodopentane
! formula:  C_5H_4F_7I
! trivial:  
! casrn:    68188-12-5
! inchikey: TZNRRNKRZXHADL-UHFFFAOYSA-N
Hvpx___68188_12_5 =  1.2E+05                                  ! [atm] type: Q, ref: 2995
Hvpx___68188_12_5 =  4.4E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___68188_12_5 =  1.5E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___68188_12_5 =  1.1E+05                                  ! [atm] type: Q, ref: 2995

! species:  1-fluoro-4-iodobenzene
! formula:  C_6H_4FI
! trivial:  
! casrn:    352-34-1
! inchikey: KGNQDBQYEBMPFZ-UHFFFAOYSA-N
Hvpx_____352_34_1 =  1.2E+02                                  ! [atm] type: ?, ref: 3766

! species:  5-diethylamiloride
! formula:  C_6H_4F_9I
! trivial:  
! casrn:    2043-55-2
! inchikey: CXHFIVFPHDGZIS-UHFFFAOYSA-N
Hvpx____2043_55_2 =  6.2E+05                                  ! [atm] type: Q, ref: 2995
Hvpx____2043_55_2 =  9.8E+03                                  ! [atm] type: Q, ref: 2995
Hvpx____2043_55_2 =  2.9E+03                                  ! [atm] type: Q, ref: 2995
Hvpx____2043_55_2 =  5.3E+05                                  ! [atm] type: Q, ref: 2995

! species:  1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane
! formula:  C_8H_4F_{13}I
! trivial:  
! casrn:    2043-57-4
! inchikey: NVVZEKTVIXIUKW-UHFFFAOYSA-N
Hvpx____2043_57_4 =  4.1E+02                                  ! [atm] type: M, ref: 3939
Hvpx____2043_57_4 =  1.7E+07                                  ! [atm] type: Q, ref: 2995
Hvpx____2043_57_4 =  1.6E+05                                  ! [atm] type: Q, ref: 2995
Hvpx____2043_57_4 =  1.0E+04                                  ! [atm] type: Q, ref: 2995
Hvpx____2043_57_4 =  1.3E+07                                  ! [atm] type: Q, ref: 2995

! species:  1H,2H-perfluoro-1-iodooct-1-ene
! formula:  C_8H_2F_{13}I
! trivial:  
! casrn:    150223-14-6
! inchikey: WDWNMIBWWPZNJK-OWOJBTEDSA-N
Hvpx__150223_14_6 =  6.5E+02                                  ! [atm] type: M, ref: 3939

! species:  1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iododecane
! formula:  C_{10}H_4F_{17}I
! trivial:  
! casrn:    2043-53-0
! inchikey: XVKJSLBVVRCOIT-UHFFFAOYSA-N
Hvpx____2043_53_0 =  4.7E+08                                  ! [atm] type: Q, ref: 2995
Hvpx____2043_53_0 =  7.1E+06                                  ! [atm] type: Q, ref: 2995
Hvpx____2043_53_0 =  2.7E+04                                  ! [atm] type: Q, ref: 2995
Hvpx____2043_53_0 =  2.4E+08                                  ! [atm] type: Q, ref: 2995

! species:  chloroiodomethane
! formula:  CH_2ClI
! trivial:  
! casrn:    593-71-5
! inchikey: PJGJQVRXEUVAFT-UHFFFAOYSA-N
Hvpx_____593_71_5 =  6.5E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____593_71_5 =  6.5E+01 * EXP(  -5100.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____593_71_5 =  6.6E+01 * EXP(  -6200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3564
Hvpx_____593_71_5 =  6.0E+01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 583
Hvpx_____593_71_5 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____593_71_5 =  2.2E+01                                  ! [atm] type: Q, ref: 2546
Hvpx_____593_71_5 =  1.1E+02                                  ! [atm] type: Q, ref: 2546
Hvpx_____593_71_5 =  2.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____593_71_5 =  1.1E+03                                  ! [atm] type: Q, ref: 2530

! species:  1-chloro-4-iodobenzene
! formula:  C_6H_4ClI
! trivial:  
! casrn:    637-87-6
! inchikey: GWQSENYKCGJTRI-UHFFFAOYSA-N
Hvpx_____637_87_6 =  8.0E+01                                  ! [atm] type: ?, ref: 3766

! species:  bromoiodomethane
! formula:  CH_2BrI
! trivial:  
! casrn:    557-68-6
! inchikey: TUDWMIUPYRKEFN-UHFFFAOYSA-N
Hvpx_____557_68_6 =  2.8E+01                                  ! [atm] type: E, ref: 3753

! species:  1-bromo-4-iodobenzene
! formula:  C_6H_4BrI
! trivial:  
! casrn:    589-87-7
! inchikey: UCCUXODGPMAHRL-UHFFFAOYSA-N
Hvpx_____589_87_7 =  3.7E+01                                  ! [atm] type: ?, ref: 3766

! species:  methanethiol
! formula:  CH_3SH
! trivial:  methyl mercaptan
! casrn:    74-93-1
! inchikey: LSDPWZHWYPCBBB-UHFFFAOYSA-N
Hvpx______74_93_1 =  1.4E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______74_93_1 =  1.4E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______74_93_1 =  1.4E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______74_93_1 =  1.4E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______74_93_1 =  2.0E+02 * EXP(  -2900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3618
Hvpx______74_93_1 =  2.0E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______74_93_1 =  2.7E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 586
Hvpx______74_93_1 =  2.4E+02 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3668
Hvpx______74_93_1 =  1.4E+02 * EXP(  -3400.*(1./T-1./298.15)) ! [atm] type: M, ref: 522
Hvpx______74_93_1 =  1.7E+02                                  ! [atm] type: M, ref: 714
Hvpx______74_93_1 =  1.7E+02                                  ! [atm] type: V, ref: 3586
Hvpx______74_93_1 =  1.7E+02                                  ! [atm] type: V, ref: 3088
Hvpx______74_93_1 =  1.7E+02                                  ! [atm] type: V, ref: 642
Hvpx______74_93_1 =  2.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______74_93_1 =  2.1E+02 * EXP(  -1600.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______74_93_1 =  3.9E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______74_93_1 =  2.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______74_93_1 =  1.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______74_93_1 =  1.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______74_93_1 =  1.3E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______74_93_1 =  5.4E+01                                  ! [atm] type: Q, ref: 3731
Hvpx______74_93_1 =  2.6E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______74_93_1 =  1.9E+02                                  ! [atm] type: Q, ref: 984
Hvpx______74_93_1 =  7.8E+01                                  ! [atm] type: Q, ref: 731
Hvpx______74_93_1 =  1.4E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______74_93_1 =  2.3E+02                                  ! [atm] type: ?, ref: 3812
Hvpx______74_93_1 =  1.1E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______74_93_1 =  1.4E+02                                  ! [atm] type: ?, ref: 1500

! species:  ethanethiol
! formula:  C_2H_5SH
! trivial:  ethyl mercaptan
! casrn:    75-08-1
! inchikey: DNJIEGIFACGWOD-UHFFFAOYSA-N
Hvpx______75_08_1 =  2.0E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_08_1 =  2.0E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_08_1 =  2.0E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_08_1 =  2.0E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______75_08_1 =  2.4E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3618
Hvpx______75_08_1 =  2.3E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3556
Hvpx______75_08_1 =  2.0E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 522
Hvpx______75_08_1 =  2.5E+02                                  ! [atm] type: M, ref: 728
Hvpx______75_08_1 =  1.6E+02                                  ! [atm] type: V, ref: 2614
Hvpx______75_08_1 =  1.6E+02                                  ! [atm] type: V, ref: 636
Hvpx______75_08_1 =  1.6E+02                                  ! [atm] type: V, ref: 2439
Hvpx______75_08_1 =  1.5E+02                                  ! [atm] type: V, ref: 642
Hvpx______75_08_1 =  1.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_08_1 =  3.0E+02                                  ! [atm] type: Q, ref: 3728
Hvpx______75_08_1 =  3.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______75_08_1 =  1.9E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______75_08_1 =  1.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_08_1 =  9.8E+01                                  ! [atm] type: Q, ref: 2530
Hvpx______75_08_1 =  2.5E+02                                  ! [atm] type: Q, ref: 2535
Hvpx______75_08_1 =  9.5E+01                                  ! [atm] type: Q, ref: 3731
Hvpx______75_08_1 =  1.5E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______75_08_1 =  1.9E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______75_08_1 =  2.8E+02                                  ! [atm] type: Q, ref: 984
Hvpx______75_08_1 =  5.3E+01                                  ! [atm] type: Q, ref: 731
Hvpx______75_08_1 =  1.9E+02                                  ! [atm] type: Q, ref: 1162
Hvpx______75_08_1 =  1.6E+02                                  ! [atm] type: ?, ref: 3812
Hvpx______75_08_1 =  1.6E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______75_08_1 =  1.6E+02                                  ! [atm] type: ?, ref: 789
Hvpx______75_08_1 =  2.0E+02                                  ! [atm] type: ?, ref: 1500

! species:  1,2-ethanedithiol
! formula:  C_2H_6S_2
! trivial:  
! casrn:    540-63-6
! inchikey: VYMPLPIFKRHAAC-UHFFFAOYSA-N
Hvpx_____540_63_6 =  6.6E+00                                  ! [atm] type: Q, ref: 3088

! species:  thiirane
! formula:  C_2H_4S
! trivial:  ethylene sulfide
! casrn:    420-12-2
! inchikey: VOVUARRWDCVURC-UHFFFAOYSA-N
Hvpx_____420_12_2 =  1.9E+01                                  ! [atm] type: Q, ref: 3088

! species:  1-propanethiol
! formula:  C_3H_7SH
! trivial:  propyl mercaptan
! casrn:    107-03-9
! inchikey: SUVIGLJNEAMWEG-UHFFFAOYSA-N
Hvpx_____107_03_9 =  3.2E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 3618
Hvpx_____107_03_9 =  3.0E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3304
Hvpx_____107_03_9 =  3.2E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1929
Hvpx_____107_03_9 =  2.3E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: M, ref: 522
Hvpx_____107_03_9 =  6.1E+02                                  ! [atm] type: M, ref: 3669
Hvpx_____107_03_9 =  2.3E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____107_03_9 =  2.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____107_03_9 =  3.4E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_03_9 =  1.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_03_9 =  6.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____107_03_9 =  2.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____107_03_9 =  1.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____107_03_9 =  1.4E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____107_03_9 =  1.9E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____107_03_9 =  3.6E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____107_03_9 =  2.3E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____107_03_9 =  2.5E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____107_03_9 =  2.2E+02                                  ! [atm] type: ?, ref: 1500

! species:  2-propanethiol
! formula:  C_3H_8S
! trivial:  isopropyl mercaptan
! casrn:    75-33-2
! inchikey: KJRCEJOSASVSRA-UHFFFAOYSA-N
Hvpx______75_33_2 =  4.1E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_33_2 =  3.4E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3306
Hvpx______75_33_2 =  4.2E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3304
Hvpx______75_33_2 =  2.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx______75_33_2 =  2.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_33_2 =  2.5E+02                                  ! [atm] type: Q, ref: 3088
Hvpx______75_33_2 =  3.0E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______75_33_2 =  2.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______75_33_2 =  2.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_33_2 =  1.9E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______75_33_2 =  2.3E+02                                  ! [atm] type: ?, ref: 2440

! species:  1-butanethiol
! formula:  C_4H_9SH
! trivial:  butyl mercaptan
! casrn:    109-79-5
! inchikey: WQAQPCDUOCURKW-UHFFFAOYSA-N
Hvpx_____109_79_5 =  3.7E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____109_79_5 =  4.0E+02 * EXP(  -4400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3618
Hvpx_____109_79_5 =  3.6E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3304
Hvpx_____109_79_5 =  3.7E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1929
Hvpx_____109_79_5 =  2.5E+02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 522
Hvpx_____109_79_5 =  5.0E+02                                  ! [atm] type: V, ref: 2614
Hvpx_____109_79_5 =  5.0E+02                                  ! [atm] type: V, ref: 636
Hvpx_____109_79_5 =  4.0E+02                                  ! [atm] type: V, ref: 2439
Hvpx_____109_79_5 =  4.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_79_5 =  5.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____109_79_5 =  3.1E+02                                  ! [atm] type: Q, ref: 3682
Hvpx_____109_79_5 =  2.5E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____109_79_5 =  1.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____109_79_5 =  9.0E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____109_79_5 =  3.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____109_79_5 =  2.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____109_79_5 =  1.6E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____109_79_5 =  2.5E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____109_79_5 =  1.7E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____109_79_5 =  2.4E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____109_79_5 =  2.2E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____109_79_5 =  4.6E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____109_79_5 =  2.5E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____109_79_5 =  5.0E+02                                  ! [atm] type: ?, ref: 3393
Hvpx_____109_79_5 =  5.0E+02                                  ! [atm] type: ?, ref: 3812
Hvpx_____109_79_5 =  5.0E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____109_79_5 =  5.0E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____109_79_5 =  2.5E+02                                  ! [atm] type: ?, ref: 1500

! species:  2-butanethiol
! formula:  C_4H_{10}S
! trivial:  {\it sec}-butyl mercaptan
! casrn:    513-53-1
! inchikey: LOCHFZBWPCLPAN-UHFFFAOYSA-N
Hvpx_____513_53_1 =  4.1E+02                                  ! [atm] type: L, ref: 3618
Hvpx_____513_53_1 =  4.0E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____513_53_1 =  4.0E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____513_53_1 =  2.8E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____513_53_1 =  2.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____513_53_1 =  2.9E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____513_53_1 =  5.8E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____513_53_1 =  3.1E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____513_53_1 =  3.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____513_53_1 =  2.7E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____513_53_1 =  3.7E+02                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-1-propanethiol
! formula:  C_4H_{10}S
! trivial:  isobutyl mercaptan
! casrn:    513-44-0
! inchikey: BDFAOUQQXJIZDG-UHFFFAOYSA-N
Hvpx_____513_44_0 =  5.3E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 3306
Hvpx_____513_44_0 =  2.8E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____513_44_0 =  2.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____513_44_0 =  1.7E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____513_44_0 =  2.6E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____513_44_0 =  2.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____513_44_0 =  2.8E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____513_44_0 =  3.8E+02                                  ! [atm] type: ?, ref: 2440

! species:  2-methyl-2-propanethiol
! formula:  C_4H_{10}S
! trivial:  {\it tert}-butyl mercaptan
! casrn:    75-66-1
! inchikey: WMXCDAVJEZZYLT-UHFFFAOYSA-N
Hvpx______75_66_1 =  1.2E+03                                  ! [atm] type: L, ref: 3618
Hvpx______75_66_1 =  2.8E+02                                  ! [atm] type: V, ref: 3812
Hvpx______75_66_1 =  2.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_66_1 =  3.4E+02                                  ! [atm] type: Q, ref: 3088
Hvpx______75_66_1 =  3.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______75_66_1 =  2.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx______75_66_1 =  8.9E+02                                  ! [atm] type: Q, ref: 2521
Hvpx______75_66_1 =  4.8E+02                                  ! [atm] type: Q, ref: 3731
Hvpx______75_66_1 =  3.0E+02                                  ! [atm] type: ?, ref: 2440

! species:  1,4-dithiane
! formula:  C_4H_8S_2
! trivial:  
! casrn:    505-29-3
! inchikey: LOZWAPSEEHRYPG-UHFFFAOYSA-N
Hvpx_____505_29_3 =  2.3E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____505_29_3 =  2.3E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____505_29_3 =  7.9E-02                                  ! [atm] type: Q, ref: 3586

! species:  1-pentanethiol
! formula:  C_5H_{11}SH
! trivial:  pentyl mercaptan
! casrn:    110-66-7
! inchikey: ZRKMQKLGEQPLNS-UHFFFAOYSA-N
Hvpx_____110_66_7 =  6.3E+02                                  ! [atm] type: L, ref: 3618
Hvpx_____110_66_7 =  6.7E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____110_66_7 =  6.6E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____110_66_7 =  3.9E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____110_66_7 =  7.4E+02                                  ! [atm] type: V, ref: 2388
Hvpx_____110_66_7 =  3.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_66_7 =  1.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____110_66_7 =  1.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_66_7 =  4.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_66_7 =  2.4E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_66_7 =  2.2E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_66_7 =  3.3E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____110_66_7 =  7.6E+02                                  ! [atm] type: ?, ref: 2440

! species:  2,2-dimethyl-1-propanethiol
! formula:  C_5H_{12}S
! trivial:  
! casrn:    1679-08-9
! inchikey: LSUXMVNABVPWMF-UHFFFAOYSA-N
Hvpx____1679_08_9 =  3.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1679_08_9 =  3.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1679_08_9 =  5.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1679_08_9 =  4.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-1-butanethiol
! formula:  C_5H_{12}S
! trivial:  
! casrn:    1878-18-8
! inchikey: WGQKBCSACFQGQY-UHFFFAOYSA-N
Hvpx____1878_18_8 =  3.7E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1878_18_8 =  3.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1878_18_8 =  2.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1878_18_8 =  3.7E+02                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-2-butanethiol
! formula:  C_5H_{12}S
! trivial:  
! casrn:    1679-09-0
! inchikey: IQIBYAHJXQVQGB-UHFFFAOYSA-N
Hvpx____1679_09_0 =  3.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1679_09_0 =  3.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1679_09_0 =  6.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____1679_09_0 =  3.7E+02                                  ! [atm] type: Q, ref: 3579
Hvpx____1679_09_0 =  6.1E+02                                  ! [atm] type: Q, ref: 3731
Hvpx____1679_09_0 =  5.4E+02                                  ! [atm] type: ?, ref: 2440

! species:  2-pentanethiol
! formula:  C_5H_{12}S
! trivial:  
! casrn:    2084-19-7
! inchikey: QUSTYFNPKBDELJ-UHFFFAOYSA-N
Hvpx____2084_19_7 =  3.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx____2084_19_7 =  3.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2084_19_7 =  3.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2084_19_7 =  5.4E+02                                  ! [atm] type: Q, ref: 3682
Hvpx____2084_19_7 =  8.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____2084_19_7 =  4.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  3-pentanethiol
! formula:  C_5H_{12}S
! trivial:  
! casrn:    616-31-9
! inchikey: WICKAMSPKJXSGN-UHFFFAOYSA-N
Hvpx_____616_31_9 =  3.7E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____616_31_9 =  3.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____616_31_9 =  1.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____616_31_9 =  3.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-1-butanethiol
! formula:  C_5H_{12}S
! trivial:  
! casrn:    541-31-1
! inchikey: GIJGXNFNUUFEGH-UHFFFAOYSA-N
Hvpx_____541_31_1 =  5.8E+02                                  ! [atm] type: L, ref: 3618
Hvpx_____541_31_1 =  3.7E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____541_31_1 =  3.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____541_31_1 =  1.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____541_31_1 =  3.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-2-butanethiol
! formula:  C_5H_{12}S
! trivial:  
! casrn:    2084-18-6
! inchikey: BFLXFRNPNMTTAA-UHFFFAOYSA-N
Hvpx____2084_18_6 =  3.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx____2084_18_6 =  3.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2084_18_6 =  1.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____2084_18_6 =  3.6E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-hexanethiol
! formula:  C_6H_{14}S
! trivial:  hexyl mercaptan
! casrn:    111-31-9
! inchikey: PMBXCGGQNSVESQ-UHFFFAOYSA-N
Hvpx_____111_31_9 =  1.0E+03                                  ! [atm] type: L, ref: 3618
Hvpx_____111_31_9 =  5.2E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____111_31_9 =  5.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_31_9 =  1.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____111_31_9 =  5.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____111_31_9 =  2.8E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_31_9 =  3.8E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____111_31_9 =  1.2E+03                                  ! [atm] type: ?, ref: 2440

! species:  2-hexanethiol
! formula:  C_6H_{14}S
! trivial:  
! casrn:    1679-06-7
! inchikey: ABNPJVOPTXYSQW-UHFFFAOYSA-N
Hvpx____1679_06_7 =  4.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1679_06_7 =  4.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1679_06_7 =  1.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1679_06_7 =  5.3E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-heptanethiol
! formula:  C_7H_{16}S
! trivial:  heptyl mercaptan
! casrn:    1639-09-4
! inchikey: VPIAKHNXCOTPAY-UHFFFAOYSA-N
Hvpx____1639_09_4 =  1.3E+03                                  ! [atm] type: L, ref: 3618
Hvpx____1639_09_4 =  1.4E+03                                  ! [atm] type: V, ref: 3586
Hvpx____1639_09_4 =  5.7E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1639_09_4 =  6.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1639_09_4 =  1.1E+01                                  ! [atm] type: Q, ref: 3586
Hvpx____1639_09_4 =  2.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1639_09_4 =  6.5E+02                                  ! [atm] type: Q, ref: 3579
Hvpx____1639_09_4 =  2.0E+02                                  ! [atm] type: Q, ref: 2521
Hvpx____1639_09_4 =  4.4E+02                                  ! [atm] type: Q, ref: 3731
Hvpx____1639_09_4 =  1.6E+03                                  ! [atm] type: ?, ref: 2440

! species:  2-heptanethiol
! formula:  C_7H_{16}S
! trivial:  
! casrn:    628-00-2
! inchikey: DAZNOIJJVKASGS-UHFFFAOYSA-N
Hvpx_____628_00_2 =  4.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____628_00_2 =  6.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____628_00_2 =  1.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____628_00_2 =  6.6E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-octanethiol
! formula:  C_8H_{18}S
! trivial:  octyl mercaptan
! casrn:    111-88-6
! inchikey: KZCOBXFFBQJQHH-UHFFFAOYSA-N
Hvpx_____111_88_6 =  7.7E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____111_88_6 =  8.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_88_6 =  1.3E+03                                  ! [atm] type: Q, ref: 3088
Hvpx_____111_88_6 =  2.7E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____111_88_6 =  7.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____111_88_6 =  4.1E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_88_6 =  5.0E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____111_88_6 =  1.8E+03                                  ! [atm] type: ?, ref: 2440

! species:  {\it tert}-octanethiol
! formula:  C_8H_{18}S
! trivial:  {\it tert}-octyl mercaptan
! casrn:    141-59-3
! inchikey: QZLAEIZEPJAELS-UHFFFAOYSA-N
Hvpx_____141_59_3 =  2.7E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____141_59_3 =  8.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____141_59_3 =  1.1E+03                                  ! [atm] type: Q, ref: 3088
Hvpx_____141_59_3 =  1.9E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____141_59_3 =  8.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____141_59_3 =  1.3E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____141_59_3 =  2.1E+03                                  ! [atm] type: ?, ref: 2440

! species:  2-octanethiol
! formula:  C_8H_{18}S
! trivial:  
! casrn:    3001-66-9
! inchikey: BZXFEMZFRLXGCY-UHFFFAOYSA-N
Hvpx____3001_66_9 =  5.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx____3001_66_9 =  8.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3001_66_9 =  1.8E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____3001_66_9 =  7.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-nonanethiol
! formula:  C_9H_{20}S
! trivial:  nonyl mercaptan
! casrn:    1455-21-6
! inchikey: ZVEZMVFBMOOHAT-UHFFFAOYSA-N
Hvpx____1455_21_6 =  9.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1455_21_6 =  8.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1455_21_6 =  3.7E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____1455_21_6 =  7.6E+02                                  ! [atm] type: Q, ref: 3579
Hvpx____1455_21_6 =  4.7E+02                                  ! [atm] type: Q, ref: 2521
Hvpx____1455_21_6 =  6.1E+02                                  ! [atm] type: Q, ref: 3731
Hvpx____1455_21_6 =  1.5E+03                                  ! [atm] type: ?, ref: 2440

! species:  2-nonanethiol
! formula:  C_9H_{20}S
! trivial:  
! casrn:    13281-11-3
! inchikey: UOMSUBPWUZCGQU-UHFFFAOYSA-N
Hvpx___13281_11_3 =  7.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx___13281_11_3 =  1.1E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13281_11_3 =  2.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___13281_11_3 =  8.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-decanethiol
! formula:  C_{10}H_{22}S
! trivial:  decyl mercaptan
! casrn:    143-10-2
! inchikey: VTXVGVNLYGSIAR-UHFFFAOYSA-N
Hvpx_____143_10_2 =  1.1E+03                                  ! [atm] type: V, ref: 3812
Hvpx_____143_10_2 =  6.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____143_10_2 =  3.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____143_10_2 =  7.1E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____143_10_2 =  5.5E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____143_10_2 =  6.7E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____143_10_2 =  8.4E+02                                  ! [atm] type: ?, ref: 2440

! species:  2-decanethiol
! formula:  C_{10}H_{22}S
! trivial:  
! casrn:    13402-60-3
! inchikey: NWKXKAHGQAWFQP-UHFFFAOYSA-N
Hvpx___13402_60_3 =  8.3E+02                                  ! [atm] type: V, ref: 3812
Hvpx___13402_60_3 =  1.2E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13402_60_3 =  2.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___13402_60_3 =  9.4E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-undecanethiol
! formula:  C_{11}H_{24}S
! trivial:  undecyl mercaptan
! casrn:    5332-52-5
! inchikey: CCIDWXHLGNEQSL-UHFFFAOYSA-N
Hvpx____5332_52_5 =  1.1E+03                                  ! [atm] type: V, ref: 3812
Hvpx____5332_52_5 =  2.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5332_52_5 =  5.9E+02                                  ! [atm] type: Q, ref: 3579
Hvpx____5332_52_5 =  8.2E+02                                  ! [atm] type: Q, ref: 3731
Hvpx____5332_52_5 =  1.6E+02                                  ! [atm] type: ?, ref: 2440

! species:  2-undecanethiol
! formula:  C_{11}H_{24}S
! trivial:  
! casrn:    62155-02-6
! inchikey: KRMLVHZORKTOLI-UHFFFAOYSA-N
Hvpx___62155_02_6 =  8.9E+02                                  ! [atm] type: V, ref: 3812
Hvpx___62155_02_6 =  8.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62155_02_6 =  1.9E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___62155_02_6 =  9.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-dodecanethiol
! formula:  C_{12}H_{26}S
! trivial:  dodecyl mercaptan
! casrn:    112-55-0
! inchikey: WNAHIZMDSQCWRP-UHFFFAOYSA-N
Hvpx_____112_55_0 =  1.0E+03                                  ! [atm] type: V, ref: 3812
Hvpx_____112_55_0 =  9.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____112_55_0 =  3.3E+03                                  ! [atm] type: Q, ref: 3088
Hvpx_____112_55_0 =  2.9E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____112_55_0 =  4.1E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____112_55_0 =  1.0E+03                                  ! [atm] type: Q, ref: 3731
Hvpx_____112_55_0 =  3.8E+02                                  ! [atm] type: ?, ref: 2440

! species:  2-dodecanethiol
! formula:  C_{12}H_{26}S
! trivial:  
! casrn:    14402-50-7
! inchikey: UROXMPKAGAWKPP-UHFFFAOYSA-N
Hvpx___14402_50_7 =  8.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx___14402_50_7 =  7.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14402_50_7 =  1.8E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___14402_50_7 =  7.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  5-propyl-5-nonanethiol
! formula:  C_{12}H_{26}S
! trivial:  
! casrn:    UNKNOWN
! inchikey: BGQHJKADBZPYGJ-UHFFFAOYSA-N
Hvpx_BGQHJKADBZPYGJ_UHFFFAOYSA_N =  3.2E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_BGQHJKADBZPYGJ_UHFFFAOYSA_N =  9.4E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_BGQHJKADBZPYGJ_UHFFFAOYSA_N =  2.3E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_BGQHJKADBZPYGJ_UHFFFAOYSA_N =  5.6E+03                                  ! [atm] type: Q, ref: 2995

! species:  1-tridecanethiol
! formula:  C_{13}H_{28}S
! trivial:  
! casrn:    19484-26-5
! inchikey: IPBROXKVGHZHJV-UHFFFAOYSA-N
Hvpx___19484_26_5 =  8.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx___19484_26_5 =  1.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19484_26_5 =  2.4E+02                                  ! [atm] type: Q, ref: 3579

! species:  2-tridecanethiol
! formula:  C_{13}H_{28}S
! trivial:  
! casrn:    62155-03-7
! inchikey: ZAPRCDVCNIREGW-UHFFFAOYSA-N
Hvpx___62155_03_7 =  7.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx___62155_03_7 =  5.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62155_03_7 =  1.7E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___62155_03_7 =  6.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  1-tetradecanethiol
! formula:  C_{14}H_{30}S
! trivial:  
! casrn:    2079-95-0
! inchikey: GEKDEMKPCKTKEC-UHFFFAOYSA-N
Hvpx____2079_95_0 =  6.4E+02                                  ! [atm] type: V, ref: 3812
Hvpx____2079_95_0 =  1.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2079_95_0 =  1.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  2-tetradecanethiol
! formula:  C_{14}H_{30}S
! trivial:  
! casrn:    62155-04-8
! inchikey: YESAYZVWGLMPDY-UHFFFAOYSA-N
Hvpx___62155_04_8 =  5.9E+02                                  ! [atm] type: V, ref: 3812
Hvpx___62155_04_8 =  3.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62155_04_8 =  1.6E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___62155_04_8 =  3.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  dimethyl sulfide
! formula:  CH_3SCH_3
! trivial:  DMS
! casrn:    75-18-3
! inchikey: QMMFVYPAHWMCMS-UHFFFAOYSA-N
Hvpx______75_18_3 =  1.0E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_18_3 =  1.0E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_18_3 =  1.0E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______75_18_3 =  9.8E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx______75_18_3 =  1.0E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_18_3 =  1.0E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______75_18_3 =  1.0E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3618
Hvpx______75_18_3 =  1.1E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: L, ref: 1943
Hvpx______75_18_3 =  1.0E+02 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1525
Hvpx______75_18_3 =  1.2E+02 * EXP(  -4700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3508
Hvpx______75_18_3 =  1.2E+02                                  ! [atm] type: M, ref: 2823
Hvpx______75_18_3 =  1.1E+02 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 3115
Hvpx______75_18_3 =  1.1E+02 * EXP(  -3600.*(1./T-1./298.15)) ! [atm] type: M, ref: 1929
Hvpx______75_18_3 =  9.9E+01 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 1936
Hvpx______75_18_3 =  1.1E+02                                  ! [atm] type: M, ref: 1937
Hvpx______75_18_3 =  8.6E+01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 1773
Hvpx______75_18_3 =  1.1E+02                                  ! [atm] type: M, ref: 1923
Hvpx______75_18_3 =  8.6E+01                                  ! [atm] type: M, ref: 3643
Hvpx______75_18_3 =  7.6E+01                                  ! [atm] type: M, ref: 3670
Hvpx______75_18_3 =  1.2E+02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2512
Hvpx______75_18_3 =  1.1E+02                                  ! [atm] type: M, ref: 3611
Hvpx______75_18_3 =  3.4E+01                                  ! [atm] type: M, ref: 2964
Hvpx______75_18_3 =  1.3E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 983
Hvpx______75_18_3 =  1.2E+02 * EXP(  -3100.*(1./T-1./298.15)) ! [atm] type: M, ref: 586
Hvpx______75_18_3 =  9.6E+01 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 3668
Hvpx______75_18_3 =  9.9E+01 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 512
Hvpx______75_18_3 =  9.8E+01 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 522
Hvpx______75_18_3 =  9.0E+01                                  ! [atm] type: M, ref: 728
Hvpx______75_18_3 =  3.4E+02                                  ! [atm] type: M, ref: 726
Hvpx______75_18_3 =  1.3E+02                                  ! [atm] type: V, ref: 2964
Hvpx______75_18_3 =  4.2E+00                                  ! [atm] type: V, ref: 636
Hvpx______75_18_3 =  1.0E+02                                  ! [atm] type: V, ref: 642
Hvpx______75_18_3 =  1.0E+02                                  ! [atm] type: V, ref: 714
Hvpx______75_18_3 =  7.8E+01                                  ! [atm] type: R, ref: 728
Hvpx______75_18_3 =  9.0E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx______75_18_3 =  1.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_18_3 =  8.9E+01                                  ! [atm] type: X, ref: gaffney84
Hvpx______75_18_3 =  1.2E+02                                  ! [atm] type: C, ref: 730
Hvpx______75_18_3 =  2.3E+02                                  ! [atm] type: Q, ref: 3730
Hvpx______75_18_3 =  3.1E+00                                  ! [atm] type: Q, ref: 3586
Hvpx______75_18_3 =  3.2E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______75_18_3 =  3.3E+01                                  ! [atm] type: Q, ref: 3409
Hvpx______75_18_3 =  1.1E+02                                  ! [atm] type: Q, ref: 3409
Hvpx______75_18_3 =  2.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx______75_18_3 =  6.3E+01                                  ! [atm] type: Q, ref: 3579
Hvpx______75_18_3 =  4.6E+01                                  ! [atm] type: Q, ref: 2521
Hvpx______75_18_3 =  1.6E+02                                  ! [atm] type: Q, ref: 2530
Hvpx______75_18_3 =  7.6E+01                                  ! [atm] type: Q, ref: 2600
Hvpx______75_18_3 =  8.7E+01                                  ! [atm] type: Q, ref: 2535
Hvpx______75_18_3 =  1.1E+02                                  ! [atm] type: Q, ref: 2543
Hvpx______75_18_3 =  1.1E+02                                  ! [atm] type: Q, ref: 2964
Hvpx______75_18_3 =  1.7E+02                                  ! [atm] type: Q, ref: 3764
Hvpx______75_18_3 =  8.3E+01                                  ! [atm] type: Q, ref: 984
Hvpx______75_18_3 =  6.9E+02                                  ! [atm] type: Q, ref: 731
Hvpx______75_18_3 =  8.5E+01                                  ! [atm] type: Q, ref: 1162
Hvpx______75_18_3 =  8.9E+01                                  ! [atm] type: ?, ref: 3586
Hvpx______75_18_3 =  1.0E+02                                  ! [atm] type: ?, ref: 3812
Hvpx______75_18_3 =  1.1E+02                                  ! [atm] type: ?, ref: 2440
Hvpx______75_18_3 =  3.2E+02                                  ! [atm] type: ?, ref: 1500

! species:  ethyl methyl sulfide
! formula:  C_2H_5SCH_3
! trivial:  
! casrn:    624-89-5
! inchikey: WXEHBUMAEPOYKP-UHFFFAOYSA-N
Hvpx_____624_89_5 =  1.3E+02                                  ! [atm] type: L, ref: 3500
Hvpx_____624_89_5 =  1.3E+02                                  ! [atm] type: L, ref: 3245
Hvpx_____624_89_5 =  1.3E+02                                  ! [atm] type: M, ref: 2823
Hvpx_____624_89_5 =  1.0E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____624_89_5 =  1.1E+02                                  ! [atm] type: T, ref: 2016
Hvpx_____624_89_5 =  1.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____624_89_5 =  2.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____624_89_5 =  1.0E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____624_89_5 =  6.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____624_89_5 =  1.1E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____624_89_5 =  1.6E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____624_89_5 =  1.2E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____624_89_5 =  1.1E+02                                  ! [atm] type: ?, ref: 2440

! species:  diethyl sulfide
! formula:  C_2H_5SC_2H_5
! trivial:  
! casrn:    352-93-2
! inchikey: LJSQFQKUNVCTIA-UHFFFAOYSA-N
Hvpx_____352_93_2 =  1.6E+02                                  ! [atm] type: L, ref: 3500
Hvpx_____352_93_2 =  1.6E+02                                  ! [atm] type: L, ref: 3245
Hvpx_____352_93_2 =  1.2E+02 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3618
Hvpx_____352_93_2 =  1.6E+02                                  ! [atm] type: M, ref: 2823
Hvpx_____352_93_2 =  1.0E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: M, ref: 522
Hvpx_____352_93_2 =  1.1E+00                                  ! [atm] type: V, ref: 2614
Hvpx_____352_93_2 =  1.2E+02                                  ! [atm] type: V, ref: 642
Hvpx_____352_93_2 =  1.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____352_93_2 =  1.3E+02                                  ! [atm] type: Q, ref: 3730
Hvpx_____352_93_2 =  2.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____352_93_2 =  1.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____352_93_2 =  1.5E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____352_93_2 =  9.2E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____352_93_2 =  1.5E+02                                  ! [atm] type: Q, ref: 2530
Hvpx_____352_93_2 =  1.1E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____352_93_2 =  1.4E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____352_93_2 =  1.2E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____352_93_2 =  2.1E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____352_93_2 =  1.9E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____352_93_2 =  3.6E+02                                  ! [atm] type: Q, ref: 731
Hvpx_____352_93_2 =  1.4E+02                                  ! [atm] type: Q, ref: 1162
Hvpx_____352_93_2 =  9.3E+01                                  ! [atm] type: ?, ref: 3586
Hvpx_____352_93_2 =  4.8E+01                                  ! [atm] type: ?, ref: 3812
Hvpx_____352_93_2 =  1.2E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____352_93_2 =  9.6E+01                                  ! [atm] type: ?, ref: 789
Hvpx_____352_93_2 =  1.2E+02                                  ! [atm] type: ?, ref: 1500

! species:  methyl isopropyl sulfide
! formula:  C_4H_{10}S
! trivial:  
! casrn:    1551-21-9
! inchikey: ROSSIHMZZJOVOU-UHFFFAOYSA-N
Hvpx____1551_21_9 =  1.2E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1551_21_9 =  1.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1551_21_9 =  2.0E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____1551_21_9 =  1.2E+02                                  ! [atm] type: Q, ref: 3579
Hvpx____1551_21_9 =  2.1E+02                                  ! [atm] type: Q, ref: 3731
Hvpx____1551_21_9 =  1.6E+02                                  ! [atm] type: ?, ref: 2440

! species:  methyl propyl sulfide
! formula:  C_4H_{10}S
! trivial:  
! casrn:    3877-15-4
! inchikey: ZOASGOXWEHUTKZ-UHFFFAOYSA-N
Hvpx____3877_15_4 =  1.3E+02                                  ! [atm] type: L, ref: 3618
Hvpx____3877_15_4 =  1.3E+02                                  ! [atm] type: M, ref: 3669
Hvpx____3877_15_4 =  1.2E+02                                  ! [atm] type: V, ref: 3812
Hvpx____3877_15_4 =  1.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3877_15_4 =  4.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____3877_15_4 =  1.3E+02                                  ! [atm] type: Q, ref: 3579
Hvpx____3877_15_4 =  1.3E+02                                  ! [atm] type: Q, ref: 3731
Hvpx____3877_15_4 =  1.8E+02                                  ! [atm] type: ?, ref: 2440

! species:  tetrahydrothiophene
! formula:  C_4H_8S
! trivial:  
! casrn:    110-01-0
! inchikey: RAOIDOHSFRTOEL-UHFFFAOYSA-N
Hvpx_____110_01_0 =  2.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____110_01_0 =  3.1E+01                                  ! [atm] type: Q, ref: 3406

! species:  2-methyl-3-thiapentane
! formula:  C_5H_{12}S
! trivial:  
! casrn:    5145-99-3
! inchikey: NZUQQADVSXWVNW-UHFFFAOYSA-N
Hvpx____5145_99_3 =  1.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx____5145_99_3 =  1.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5145_99_3 =  1.5E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____5145_99_3 =  1.6E+02                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-2-thiabutane
! formula:  C_5H_{12}S
! trivial:  
! casrn:    6163-64-0
! inchikey: CJFVCTVYZFTORU-UHFFFAOYSA-N
Hvpx____6163_64_0 =  1.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx____6163_64_0 =  1.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6163_64_0 =  1.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____6163_64_0 =  1.4E+02                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-2-thiapentane
! formula:  C_5H_{12}S
! trivial:  
! casrn:    10359-64-5
! inchikey: IJRCRFQMYAJPPO-UHFFFAOYSA-N
Hvpx___10359_64_5 =  1.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx___10359_64_5 =  1.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___10359_64_5 =  4.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___10359_64_5 =  1.5E+02                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-2-thiapentane
! formula:  C_5H_{12}S
! trivial:  
! casrn:    5008-69-5
! inchikey: UYVGFIKOUAFDOZ-UHFFFAOYSA-N
Hvpx____5008_69_5 =  1.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx____5008_69_5 =  1.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5008_69_5 =  1.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____5008_69_5 =  1.3E+02                                  ! [atm] type: Q, ref: 3579

! species:  ethyl propyl sulfide
! formula:  C_5H_{12}S
! trivial:  
! casrn:    4110-50-3
! inchikey: ZDDDFDQTSXYYSE-UHFFFAOYSA-N
Hvpx____4110_50_3 =  1.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx____4110_50_3 =  1.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4110_50_3 =  3.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____4110_50_3 =  1.9E+02                                  ! [atm] type: Q, ref: 3579
Hvpx____4110_50_3 =  2.6E+02                                  ! [atm] type: Q, ref: 3731
Hvpx____4110_50_3 =  2.9E+02                                  ! [atm] type: ?, ref: 2440

! species:  methyl butyl sulfide
! formula:  C_5H_{12}S
! trivial:  
! casrn:    628-29-5
! inchikey: WCXXISMIJBRDQK-UHFFFAOYSA-N
Hvpx_____628_29_5 =  1.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____628_29_5 =  1.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____628_29_5 =  6.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____628_29_5 =  1.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____628_29_5 =  2.5E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____628_29_5 =  3.1E+02                                  ! [atm] type: ?, ref: 2440

! species:  dipropyl sulfide
! formula:  C_3H_7SC_3H_7
! trivial:  
! casrn:    111-47-7
! inchikey: ZERULLAPCVRMCO-UHFFFAOYSA-N
Hvpx_____111_47_7 =  1.6E+02 * EXP(  -5700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3618
Hvpx_____111_47_7 =  1.7E+02 * EXP(  -4500.*(1./T-1./298.15)) ! [atm] type: M, ref: 522
Hvpx_____111_47_7 =  2.0E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____111_47_7 =  2.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____111_47_7 =  7.0E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____111_47_7 =  2.7E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____111_47_7 =  6.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____111_47_7 =  2.4E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____111_47_7 =  1.6E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____111_47_7 =  1.1E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____111_47_7 =  2.9E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____111_47_7 =  1.8E+02                                  ! [atm] type: Q, ref: 2543
Hvpx_____111_47_7 =  3.0E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____111_47_7 =  1.8E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____111_47_7 =  4.6E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____111_47_7 =  1.6E+02                                  ! [atm] type: ?, ref: 1500

! species:  di-(2-propyl)-sulfide
! formula:  (C_3H_7)_2S
! trivial:  diisopropyl sulfide
! casrn:    625-80-9
! inchikey: XYWDPYKBIRQXQS-UHFFFAOYSA-N
Hvpx_____625_80_9 =  1.9E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____625_80_9 =  1.8E+02                                  ! [atm] type: L, ref: 3618
Hvpx_____625_80_9 =  1.8E+02 * EXP(  -5000.*(1./T-1./298.15)) ! [atm] type: M, ref: 522
Hvpx_____625_80_9 =  1.9E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____625_80_9 =  1.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____625_80_9 =  7.0E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____625_80_9 =  1.8E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____625_80_9 =  1.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____625_80_9 =  1.7E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____625_80_9 =  3.3E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____625_80_9 =  1.7E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____625_80_9 =  4.8E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____625_80_9 =  4.7E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____625_80_9 =  1.8E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____625_80_9 =  3.6E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____625_80_9 =  1.7E+02                                  ! [atm] type: ?, ref: 1500

! species:  2,2-dimethyl-3-thiapentane
! formula:  C_6H_{14}S
! trivial:  
! casrn:    14290-92-7
! inchikey: GZJUDUMQICJSFJ-UHFFFAOYSA-N
Hvpx___14290_92_7 =  1.9E+02                                  ! [atm] type: V, ref: 3812
Hvpx___14290_92_7 =  1.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___14290_92_7 =  1.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___14290_92_7 =  1.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3-thiahexane
! formula:  C_6H_{14}S
! trivial:  
! casrn:    5008-73-1
! inchikey: BDFDQOJJDDORSR-UHFFFAOYSA-N
Hvpx____5008_73_1 =  2.0E+02                                  ! [atm] type: V, ref: 3812
Hvpx____5008_73_1 =  2.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5008_73_1 =  2.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____5008_73_1 =  2.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  3,3-dimethyl-2-thiapentane
! formula:  C_6H_{14}S
! trivial:  
! casrn:    13286-92-5
! inchikey: SJOHDSPLOVBXOF-UHFFFAOYSA-N
Hvpx___13286_92_5 =  2.0E+02                                  ! [atm] type: V, ref: 3812
Hvpx___13286_92_5 =  2.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13286_92_5 =  2.8E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___13286_92_5 =  1.8E+02                                  ! [atm] type: Q, ref: 3579

! species:  3,4-dimethyl-2-thiapentane
! formula:  C_6H_{14}S
! trivial:  
! casrn:    53897-51-1
! inchikey: AUNQXXJGFDKEMS-UHFFFAOYSA-N
Hvpx___53897_51_1 =  1.9E+02                                  ! [atm] type: V, ref: 3812
Hvpx___53897_51_1 =  1.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___53897_51_1 =  9.0E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___53897_51_1 =  1.7E+02                                  ! [atm] type: Q, ref: 3579

! species:  3-ethyl-2-thiapentane
! formula:  C_6H_{14}S
! trivial:  
! casrn:    57093-84-2
! inchikey: ZQOHJVSSVAWXQZ-UHFFFAOYSA-N
Hvpx___57093_84_2 =  1.8E+02                                  ! [atm] type: V, ref: 3812
Hvpx___57093_84_2 =  1.8E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___57093_84_2 =  8.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___57093_84_2 =  2.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-2-thiahexane
! formula:  C_6H_{14}S
! trivial:  
! casrn:    13286-91-4
! inchikey: WGBHWWSSUGCSCP-UHFFFAOYSA-N
Hvpx___13286_91_4 =  2.0E+02                                  ! [atm] type: V, ref: 3812
Hvpx___13286_91_4 =  2.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13286_91_4 =  4.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___13286_91_4 =  2.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  4,4-dimethyl-2-thiapentane
! formula:  C_6H_{14}S
! trivial:  
! casrn:    6079-57-8
! inchikey: YUFAJXXIXSYTMS-UHFFFAOYSA-N
Hvpx____6079_57_8 =  2.0E+02                                  ! [atm] type: V, ref: 3812
Hvpx____6079_57_8 =  2.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6079_57_8 =  1.8E+02                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-2-thiahexane
! formula:  C_6H_{14}S
! trivial:  
! casrn:    15013-37-3
! inchikey: XMOUDDXUCXXDTJ-UHFFFAOYSA-N
Hvpx___15013_37_3 =  2.0E+02                                  ! [atm] type: V, ref: 3812
Hvpx___15013_37_3 =  2.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___15013_37_3 =  1.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___15013_37_3 =  1.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  4-methyl-3-thiahexane
! formula:  C_6H_{14}S
! trivial:  
! casrn:    5008-72-0
! inchikey: JFNGZXUPUVUYST-UHFFFAOYSA-N
Hvpx____5008_72_0 =  2.0E+02                                  ! [atm] type: V, ref: 3812
Hvpx____5008_72_0 =  2.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____5008_72_0 =  2.5E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____5008_72_0 =  2.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-2-thiahexane
! formula:  C_6H_{14}S
! trivial:  
! casrn:    13286-90-3
! inchikey: ABIKQXWLJOURPN-UHFFFAOYSA-N
Hvpx___13286_90_3 =  2.0E+02                                  ! [atm] type: V, ref: 3812
Hvpx___13286_90_3 =  2.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13286_90_3 =  1.0E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___13286_90_3 =  2.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  5-methyl-3-thiahexane
! formula:  C_6H_{14}S
! trivial:  
! casrn:    1613-45-2
! inchikey: OIRKGXWQBSPXLQ-UHFFFAOYSA-N
Hvpx____1613_45_2 =  2.0E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1613_45_2 =  2.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1613_45_2 =  7.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____1613_45_2 =  2.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  ethyl butyl sulfide
! formula:  C_6H_{14}S
! trivial:  
! casrn:    638-46-0
! inchikey: XJIRSLHMKBUGMR-UHFFFAOYSA-N
Hvpx_____638_46_0 =  2.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____638_46_0 =  2.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____638_46_0 =  4.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____638_46_0 =  2.5E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____638_46_0 =  2.9E+02                                  ! [atm] type: Q, ref: 3731
Hvpx_____638_46_0 =  4.7E+02                                  ! [atm] type: ?, ref: 2440

! species:  methyl pentyl sulfide
! formula:  C_6H_{14}S
! trivial:  
! casrn:    1741-83-9
! inchikey: FOJGPFUFFHWGFQ-UHFFFAOYSA-N
Hvpx____1741_83_9 =  1.4E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1741_83_9 =  1.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1741_83_9 =  2.4E+02                                  ! [atm] type: Q, ref: 3579

! species:  ethyl pentyl sulfide
! formula:  C_7H_{16}S
! trivial:  
! casrn:    26158-99-6
! inchikey: SOGIWVXLDPPMMF-UHFFFAOYSA-N
Hvpx___26158_99_6 =  5.3E+02                                  ! [atm] type: V, ref: 3812
Hvpx___26158_99_6 =  5.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___26158_99_6 =  4.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___26158_99_6 =  3.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  methyl hexyl sulfide
! formula:  C_7H_{16}S
! trivial:  
! casrn:    20291-60-5
! inchikey: LZRXQHHKXDXOIC-UHFFFAOYSA-N
Hvpx___20291_60_5 =  5.3E+02                                  ! [atm] type: V, ref: 3812
Hvpx___20291_60_5 =  5.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20291_60_5 =  1.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___20291_60_5 =  3.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  propyl butyl sulfide
! formula:  C_7H_{16}S
! trivial:  
! casrn:    1613-46-3
! inchikey: ZBRWJPVULTZZCE-UHFFFAOYSA-N
Hvpx____1613_46_3 =  5.3E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1613_46_3 =  5.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1613_46_3 =  7.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____1613_46_3 =  3.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  dibutyl sulfide
! formula:  C_8H_{18}S
! trivial:  
! casrn:    544-40-1
! inchikey: HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Hvpx_____544_40_1 =  4.3E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____544_40_1 =  4.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____544_40_1 =  1.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx_____544_40_1 =  3.6E+02                                  ! [atm] type: Q, ref: 3579

! species:  ethyl hexyl sulfide
! formula:  C_8H_{18}S
! trivial:  
! casrn:    7309-44-6
! inchikey: MGVUJBCOCITTRS-UHFFFAOYSA-N
Hvpx____7309_44_6 =  8.8E+02                                  ! [atm] type: V, ref: 3812
Hvpx____7309_44_6 =  8.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7309_44_6 =  6.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____7309_44_6 =  3.7E+02                                  ! [atm] type: Q, ref: 3579

! species:  methyl heptyl sulfide
! formula:  C_8H_{18}S
! trivial:  
! casrn:    20291-61-6
! inchikey: FJDWJOQOEZRIDJ-UHFFFAOYSA-N
Hvpx___20291_61_6 =  8.8E+02                                  ! [atm] type: V, ref: 3812
Hvpx___20291_61_6 =  8.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___20291_61_6 =  1.4E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___20291_61_6 =  3.7E+02                                  ! [atm] type: Q, ref: 3579

! species:  propyl pentyl sulfide
! formula:  C_8H_{18}S
! trivial:  
! casrn:    42841-80-5
! inchikey: MJRCCWJSYFOGBX-UHFFFAOYSA-N
Hvpx___42841_80_5 =  8.8E+02                                  ! [atm] type: V, ref: 3812
Hvpx___42841_80_5 =  8.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___42841_80_5 =  9.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___42841_80_5 =  3.6E+02                                  ! [atm] type: Q, ref: 3579

! species:  butyl pentyl sulfide
! formula:  C_9H_{20}S
! trivial:  
! casrn:    24768-42-1
! inchikey: RNEUXBDXTNIASG-UHFFFAOYSA-N
Hvpx___24768_42_1 =  5.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx___24768_42_1 =  5.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___24768_42_1 =  7.8E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___24768_42_1 =  4.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  ethyl heptyl sulfide
! formula:  C_9H_{20}S
! trivial:  
! casrn:    24768-44-3
! inchikey: PYPULUCCVXMPFP-UHFFFAOYSA-N
Hvpx___24768_44_3 =  5.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx___24768_44_3 =  5.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___24768_44_3 =  5.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___24768_44_3 =  4.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  methyl octyl sulfide
! formula:  C_9H_{20}S
! trivial:  
! casrn:    3698-95-1
! inchikey: AHCJTMBRROLNHV-UHFFFAOYSA-N
Hvpx____3698_95_1 =  5.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx____3698_95_1 =  5.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3698_95_1 =  1.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____3698_95_1 =  4.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  propyl hexyl sulfide
! formula:  C_9H_{20}S
! trivial:  
! casrn:    24768-43-2
! inchikey: ABZLKKGJOVPBBL-UHFFFAOYSA-N
Hvpx___24768_43_2 =  5.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx___24768_43_2 =  5.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___24768_43_2 =  7.8E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___24768_43_2 =  4.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  butyl hexyl sulfide
! formula:  C_{10}H_{22}S
! trivial:  
! casrn:    16967-04-7
! inchikey: YZUHMAFUXBPUKH-UHFFFAOYSA-N
Hvpx___16967_04_7 =  3.3E+02                                  ! [atm] type: V, ref: 3812
Hvpx___16967_04_7 =  3.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16967_04_7 =  6.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___16967_04_7 =  4.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  dipentyl sulfide
! formula:  C_{10}H_{22}S
! trivial:  
! casrn:    872-10-6
! inchikey: JOZDADPMWLVEJK-UHFFFAOYSA-N
Hvpx_____872_10_6 =  3.3E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____872_10_6 =  3.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____872_10_6 =  6.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____872_10_6 =  4.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  ethyl octyl sulfide
! formula:  C_{10}H_{22}S
! trivial:  
! casrn:    3698-94-0
! inchikey: WAITXWGCJQLPGH-UHFFFAOYSA-N
Hvpx____3698_94_0 =  3.3E+02                                  ! [atm] type: V, ref: 3812
Hvpx____3698_94_0 =  3.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3698_94_0 =  4.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____3698_94_0 =  4.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  methyl nonyl sulfide
! formula:  C_{10}H_{22}S
! trivial:  
! casrn:    59973-07-8
! inchikey: FCRSULZJMFDBIK-UHFFFAOYSA-N
Hvpx___59973_07_8 =  3.3E+02                                  ! [atm] type: V, ref: 3812
Hvpx___59973_07_8 =  3.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___59973_07_8 =  1.5E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___59973_07_8 =  4.3E+02                                  ! [atm] type: Q, ref: 3579

! species:  propyl heptyl sulfide
! formula:  C_{10}H_{22}S
! trivial:  
! casrn:    24768-46-5
! inchikey: PCPVCHFKVPNTBH-UHFFFAOYSA-N
Hvpx___24768_46_5 =  3.3E+02                                  ! [atm] type: V, ref: 3812
Hvpx___24768_46_5 =  3.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___24768_46_5 =  6.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___24768_46_5 =  4.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  butyl heptyl sulfide
! formula:  C_{11}H_{24}S
! trivial:  
! casrn:    40813-84-1
! inchikey: HYUPOCGXBZUYFY-UHFFFAOYSA-N
Hvpx___40813_84_1 =  3.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx___40813_84_1 =  3.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___40813_84_1 =  6.0E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___40813_84_1 =  3.8E+02                                  ! [atm] type: Q, ref: 3579

! species:  ethyl nonyl sulfide
! formula:  C_{11}H_{24}S
! trivial:  
! casrn:    59973-08-9
! inchikey: LUAABLIRQSWMGZ-UHFFFAOYSA-N
Hvpx___59973_08_9 =  3.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx___59973_08_9 =  3.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___59973_08_9 =  6.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___59973_08_9 =  3.8E+02                                  ! [atm] type: Q, ref: 3579

! species:  methyl decyl sulfide
! formula:  C_{11}H_{24}S
! trivial:  
! casrn:    22438-39-7
! inchikey: HKGUUZAACYBIID-UHFFFAOYSA-N
Hvpx___22438_39_7 =  3.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx___22438_39_7 =  3.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___22438_39_7 =  1.3E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___22438_39_7 =  4.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  propyl octyl sulfide
! formula:  C_{11}H_{24}S
! trivial:  
! casrn:    3698-93-9
! inchikey: GPJXDRJGQAKGLH-UHFFFAOYSA-N
Hvpx____3698_93_9 =  3.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx____3698_93_9 =  3.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3698_93_9 =  6.0E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____3698_93_9 =  3.8E+02                                  ! [atm] type: Q, ref: 3579

! species:  butyl octyl sulfide
! formula:  C_{12}H_{26}S
! trivial:  
! casrn:    16900-07-5
! inchikey: UNIAPWPIAGJFDG-UHFFFAOYSA-N
Hvpx___16900_07_5 =  3.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx___16900_07_5 =  3.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___16900_07_5 =  5.5E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___16900_07_5 =  3.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  dihexyl sulfide
! formula:  C_{12}H_{26}S
! trivial:  
! casrn:    6294-31-1
! inchikey: LHNRHYOMDUJLLM-UHFFFAOYSA-N
Hvpx____6294_31_1 =  3.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx____6294_31_1 =  3.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____6294_31_1 =  5.5E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____6294_31_1 =  3.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  ethyl decyl sulfide
! formula:  C_{12}H_{26}S
! trivial:  
! casrn:    19313-61-2
! inchikey: VSSRSPLEFYQIEK-UHFFFAOYSA-N
Hvpx___19313_61_2 =  3.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx___19313_61_2 =  3.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19313_61_2 =  5.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___19313_61_2 =  3.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  methyl undecyl sulfide
! formula:  C_{12}H_{26}S
! trivial:  
! casrn:    7289-44-3
! inchikey: HDOADYQJIBYVGE-UHFFFAOYSA-N
Hvpx____7289_44_3 =  3.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx____7289_44_3 =  3.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____7289_44_3 =  1.2E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____7289_44_3 =  3.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  propyl nonyl sulfide
! formula:  C_{12}H_{26}S
! trivial:  
! casrn:    62103-66-6
! inchikey: AQAOPNMAEGBYHI-UHFFFAOYSA-N
Hvpx___62103_66_6 =  3.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx___62103_66_6 =  3.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62103_66_6 =  8.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___62103_66_6 =  3.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  butyl nonyl sulfide
! formula:  C_{13}H_{28}S
! trivial:  
! casrn:    66577-32-0
! inchikey: FWRIVMHSSSZAFD-UHFFFAOYSA-N
Hvpx___66577_32_0 =  3.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx___66577_32_0 =  3.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66577_32_0 =  7.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___66577_32_0 =  2.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  ethyl undecyl sulfide
! formula:  C_{13}H_{28}S
! trivial:  
! casrn:    66577-30-8
! inchikey: OSWITQLVZPPUIR-UHFFFAOYSA-N
Hvpx___66577_30_8 =  3.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx___66577_30_8 =  3.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66577_30_8 =  5.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___66577_30_8 =  2.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  methyl dodecyl sulfide
! formula:  C_{13}H_{28}S
! trivial:  
! casrn:    3698-89-3
! inchikey: KJWHJDGMOQJLGF-UHFFFAOYSA-N
Hvpx____3698_89_3 =  3.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx____3698_89_3 =  3.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____3698_89_3 =  1.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx____3698_89_3 =  2.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  propyl decyl sulfide
! formula:  C_{13}H_{28}S
! trivial:  
! casrn:    66577-31-9
! inchikey: HPJCKXDELORROO-UHFFFAOYSA-N
Hvpx___66577_31_9 =  3.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx___66577_31_9 =  3.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66577_31_9 =  7.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___66577_31_9 =  2.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  butyl decyl sulfide
! formula:  C_{14}H_{30}S
! trivial:  
! casrn:    19313-57-6
! inchikey: CLBLVLKZMJDLOT-UHFFFAOYSA-N
Hvpx___19313_57_6 =  2.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx___19313_57_6 =  2.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___19313_57_6 =  7.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___19313_57_6 =  1.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  diheptyl sulfide
! formula:  C_{14}H_{30}S
! trivial:  
! casrn:    629-65-2
! inchikey: LEMIDOZYVQXGLI-UHFFFAOYSA-N
Hvpx_____629_65_2 =  2.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____629_65_2 =  2.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____629_65_2 =  4.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____629_65_2 =  1.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  ethyl dodecyl sulfide
! formula:  C_{14}H_{30}S
! trivial:  
! casrn:    2851-83-4
! inchikey: QECBTJWQRXCSCU-UHFFFAOYSA-N
Hvpx____2851_83_4 =  2.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx____2851_83_4 =  2.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____2851_83_4 =  4.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____2851_83_4 =  1.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  methyl tridecyl sulfide
! formula:  C_{14}H_{30}S
! trivial:  
! casrn:    62155-09-3
! inchikey: QVXOOYOFFITGCV-UHFFFAOYSA-N
Hvpx___62155_09_3 =  2.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx___62155_09_3 =  2.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___62155_09_3 =  1.1E+03                                  ! [atm] type: Q, ref: 3406
Hvpx___62155_09_3 =  1.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  propyl undecyl sulfide
! formula:  C_{14}H_{30}S
! trivial:  
! casrn:    66826-84-4
! inchikey: ITNOZFAANYXVSG-UHFFFAOYSA-N
Hvpx___66826_84_4 =  2.1E+02                                  ! [atm] type: V, ref: 3812
Hvpx___66826_84_4 =  2.1E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66826_84_4 =  7.3E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___66826_84_4 =  1.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  dimethyl disulfide
! formula:  CH_3SSCH_3
! trivial:  
! casrn:    624-92-0
! inchikey: WQOXQRCZOLPYPM-UHFFFAOYSA-N
Hvpx_____624_92_0 =  9.4E+01                                  ! [atm] type: L, ref: 3500
Hvpx_____624_92_0 =  9.4E+01                                  ! [atm] type: L, ref: 3245
Hvpx_____624_92_0 =  6.6E+01 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____624_92_0 =  7.3E+01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: L, ref: 3618
Hvpx_____624_92_0 =  8.1E+01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3508
Hvpx_____624_92_0 =  9.4E+01                                  ! [atm] type: M, ref: 2823
Hvpx_____624_92_0 =  8.4E+01 * EXP(  -3200.*(1./T-1./298.15)) ! [atm] type: M, ref: 3115
Hvpx_____624_92_0 =  6.0E+01 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: M, ref: 3610
Hvpx_____624_92_0 =  7.0E+01                                  ! [atm] type: M, ref: 3671
Hvpx_____624_92_0 =  9.2E+01                                  ! [atm] type: M, ref: 1923
Hvpx_____624_92_0 =  1.5E+02                                  ! [atm] type: M, ref: 3672
Hvpx_____624_92_0 =  5.8E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 522
Hvpx_____624_92_0 =  6.4E+01                                  ! [atm] type: M, ref: 3669
Hvpx_____624_92_0 =  6.6E+01                                  ! [atm] type: M, ref: 728
Hvpx_____624_92_0 =  3.3E+01                                  ! [atm] type: V, ref: 2614
Hvpx_____624_92_0 =  3.3E+01                                  ! [atm] type: V, ref: 636
Hvpx_____624_92_0 =  6.1E+01                                  ! [atm] type: R, ref: 728
Hvpx_____624_92_0 =  1.8E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____624_92_0 =  6.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____624_92_0 =  1.2E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____624_92_0 =  6.0E+01                                  ! [atm] type: ?, ref: 1500

! species:  diethyl disulfide
! formula:  C_2H_5SSC_2H_5
! trivial:  
! casrn:    110-81-6
! inchikey: CETBSQOFQKLHHZ-UHFFFAOYSA-N
Hvpx_____110_81_6 =  1.5E+02                                  ! [atm] type: L, ref: 3500
Hvpx_____110_81_6 =  1.5E+02                                  ! [atm] type: L, ref: 3245
Hvpx_____110_81_6 =  1.4E+02 * EXP(  -4900.*(1./T-1./298.15)) ! [atm] type: L, ref: 3618
Hvpx_____110_81_6 =  1.5E+02                                  ! [atm] type: M, ref: 2823
Hvpx_____110_81_6 =  8.6E+01 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 522
Hvpx_____110_81_6 =  1.2E+02                                  ! [atm] type: M, ref: 728
Hvpx_____110_81_6 =  4.7E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_81_6 =  1.5E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_81_6 =  2.4E+02                                  ! [atm] type: Q, ref: 984
Hvpx_____110_81_6 =  8.5E+01                                  ! [atm] type: ?, ref: 1500

! species:  dipropyl disulfide
! formula:  C_3H_7SSC_3H_7
! trivial:  
! casrn:    629-19-6
! inchikey: ALVPFGSHPUPROW-UHFFFAOYSA-N
Hvpx_____629_19_6 =  2.5E+02 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: L, ref: 3618
Hvpx_____629_19_6 =  2.3E+02                                  ! [atm] type: M, ref: 2823
Hvpx_____629_19_6 =  3.0E+01                                  ! [atm] type: M, ref: 3669

! species:  carbon disulfide
! formula:  CS_2
! trivial:  
! casrn:    75-15-0
! inchikey: QGJOPFRUJISHPQ-UHFFFAOYSA-N
Hvpx______75_15_0 =  8.9E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx______75_15_0 =  8.9E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx______75_15_0 =  8.9E+02 * EXP(  -3900.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx______75_15_0 =  8.9E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx______75_15_0 =  8.9E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx______75_15_0 =  1.0E+03 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: L, ref: 3618
Hvpx______75_15_0 =  9.6E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2891
Hvpx______75_15_0 =  1.0E+03 * EXP(  -2800.*(1./T-1./298.15)) ! [atm] type: M, ref: 586
Hvpx______75_15_0 =  8.8E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2631
Hvpx______75_15_0 =  1.0E+03 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 863
Hvpx______75_15_0 =  9.5E+02                                  ! [atm] type: V, ref: 2614
Hvpx______75_15_0 =  9.5E+02                                  ! [atm] type: V, ref: 636
Hvpx______75_15_0 =  6.8E+02                                  ! [atm] type: V, ref: 2439
Hvpx______75_15_0 =  1.2E+03 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: V, ref: 862
Hvpx______75_15_0 =  1.1E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______75_15_0 =  7.3E+02 * EXP(  -1200.*(1./T-1./298.15)) ! [atm] type: X, ref: usepa82
Hvpx______75_15_0 =  1.1E+03                                  ! [atm] type: Q, ref: 3728
Hvpx______75_15_0 =  4.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx______75_15_0 =  1.1E+03                                  ! [atm] type: Q, ref: 3579
Hvpx______75_15_0 =  5.8E+03                                  ! [atm] type: ?, ref: 2440
Hvpx______75_15_0 =  1.7E+03                                  ! [atm] type: ?, ref: 3614
Hvpx______75_15_0 =  1.1E+03                                  ! [atm] type: ?, ref: 789

! species:  2,3,4-trithiapentane
! formula:  C_2H_6S_3
! trivial:  dimethyl trisulfide
! casrn:    3658-80-8
! inchikey: YWHLKYXPLRWGSE-UHFFFAOYSA-N
Hvpx____3658_80_8 =  4.4E+01                                  ! [atm] type: L, ref: 3618
Hvpx____3658_80_8 =  3.8E+01                                  ! [atm] type: M, ref: 3671
Hvpx____3658_80_8 =  2.6E+01                                  ! [atm] type: M, ref: 2389

! species:  dicyclohexyldisulfide
! formula:  C_{12}H_{22}S_2
! trivial:  
! casrn:    2550-40-5
! inchikey: ODHAQPXNQDBHSH-UHFFFAOYSA-N
Hvpx____2550_40_5 =  2.2E+02                                  ! [atm] type: Q, ref: 3088

! species:  allyl mercaptan
! formula:  C_3H_6S
! trivial:  
! casrn:    870-23-5
! inchikey: ULIKDJVNUXNQHS-UHFFFAOYSA-N
Hvpx_____870_23_5 =  4.7E+01                                  ! [atm] type: Q, ref: 2521

! species:  3,3'-thiobis-1-propene
! formula:  (C_3H_5)_2S
! trivial:  diallyl sulfide
! casrn:    592-88-1
! inchikey: UBJVUCKUDDKUJF-UHFFFAOYSA-N
Hvpx_____592_88_1 =  1.3E+02                                  ! [atm] type: M, ref: 796
Hvpx_____592_88_1 =  7.7E+01                                  ! [atm] type: M, ref: 3669
Hvpx_____592_88_1 =  7.2E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____592_88_1 =  5.5E+01                                  ! [atm] type: Q, ref: 2521

! species:  allyl methyl sulfide
! formula:  CH_2CHCH_2SCH_3
! trivial:  2-propenyl methyl sulfide
! casrn:    10152-76-8
! inchikey: NVLPQIPTCCLBEU-UHFFFAOYSA-N
Hvpx___10152_76_8 =  1.3E+02                                  ! [atm] type: L, ref: 3500
Hvpx___10152_76_8 =  1.3E+02                                  ! [atm] type: L, ref: 3245
Hvpx___10152_76_8 =  1.3E+02                                  ! [atm] type: M, ref: 2823
Hvpx___10152_76_8 =  1.1E+02                                  ! [atm] type: M, ref: 3669

! species:  thiophene
! formula:  C_4H_4S
! trivial:  
! casrn:    110-02-1
! inchikey: YTPLMLYBLZKORZ-UHFFFAOYSA-N
Hvpx_____110_02_1 =  1.3E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3304
Hvpx_____110_02_1 =  1.3E+02 * EXP(  -4000.*(1./T-1./298.15)) ! [atm] type: M, ref: 522
Hvpx_____110_02_1 =  1.6E+02                                  ! [atm] type: V, ref: 3088
Hvpx_____110_02_1 =  1.2E+02                                  ! [atm] type: V, ref: 636
Hvpx_____110_02_1 =  1.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____110_02_1 =  6.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____110_02_1 =  1.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____110_02_1 =  3.8E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____110_02_1 =  5.6E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____110_02_1 =  1.6E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____110_02_1 =  5.9E+01                                  ! [atm] type: Q, ref: 3731
Hvpx_____110_02_1 =  6.2E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____110_02_1 =  8.0E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____110_02_1 =  1.2E+02                                  ! [atm] type: ?, ref: 2614
Hvpx_____110_02_1 =  1.6E+02                                  ! [atm] type: ?, ref: 3812
Hvpx_____110_02_1 =  1.6E+02                                  ! [atm] type: ?, ref: 2440
Hvpx_____110_02_1 =  1.6E+02                                  ! [atm] type: ?, ref: 789
Hvpx_____110_02_1 =  1.2E+02                                  ! [atm] type: ?, ref: 1500

! species:  2-methylthiophene
! formula:  CH_3C_4H_3S
! trivial:  
! casrn:    554-14-3
! inchikey: XQQBUAPQHNYYRS-UHFFFAOYSA-N
Hvpx_____554_14_3 =  1.3E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____554_14_3 =  1.3E+02 * EXP(  -4300.*(1./T-1./298.15)) ! [atm] type: M, ref: 522
Hvpx_____554_14_3 =  2.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____554_14_3 =  2.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____554_14_3 =  1.9E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____554_14_3 =  2.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____554_14_3 =  4.9E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____554_14_3 =  2.9E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____554_14_3 =  3.8E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____554_14_3 =  6.8E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____554_14_3 =  1.3E+02                                  ! [atm] type: ?, ref: 3586
Hvpx_____554_14_3 =  1.3E+02                                  ! [atm] type: ?, ref: 1500

! species:  3-methylthiophene
! formula:  CH_3C_4H_3S
! trivial:  
! casrn:    616-44-4
! inchikey: QENGPZGAWFQWCZ-UHFFFAOYSA-N
Hvpx_____616_44_4 =  4.0E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____616_44_4 =  4.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____616_44_4 =  2.0E+01                                  ! [atm] type: Q, ref: 3586
Hvpx_____616_44_4 =  1.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____616_44_4 =  2.9E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____616_44_4 =  3.2E+02                                  ! [atm] type: Q, ref: 2521
Hvpx_____616_44_4 =  6.7E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____616_44_4 =  4.0E+02                                  ! [atm] type: Q, ref: 2535
Hvpx_____616_44_4 =  3.0E+02                                  ! [atm] type: Q, ref: 3764
Hvpx_____616_44_4 =  4.0E+02                                  ! [atm] type: ?, ref: 3812

! species:  propyl allyl disulfide
! formula:  C_6H_{12}S_2
! trivial:  
! casrn:    2179-59-1
! inchikey: FCSSPCOFDUKHPV-UHFFFAOYSA-N
Hvpx____2179_59_1 =  1.5E+02                                  ! [atm] type: Q, ref: 3088

! species:  4,5-dithia-1,7-octadiene
! formula:  C_6H_{10}S_2
! trivial:  diallyl disulfide
! casrn:    2179-57-9
! inchikey: PFRGXCVKLLPLIP-UHFFFAOYSA-N
Hvpx____2179_57_9 =  7.3E+01                                  ! [atm] type: M, ref: 3669

! species:  2,3-dimethylthiophene
! formula:  C_6H_8S
! trivial:  
! casrn:    632-16-6
! inchikey: BZYUMXXOAYSFOW-UHFFFAOYSA-N
Hvpx_____632_16_6 =  3.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____632_16_6 =  4.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____632_16_6 =  1.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____632_16_6 =  4.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  2,4-dimethylthiophene
! formula:  C_6H_8S
! trivial:  
! casrn:    638-00-6
! inchikey: CPULIKNSOUFMPL-UHFFFAOYSA-N
Hvpx_____638_00_6 =  3.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____638_00_6 =  4.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____638_00_6 =  1.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____638_00_6 =  4.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  2,5-dimethylthiophene
! formula:  C_6H_8S
! trivial:  
! casrn:    638-02-8
! inchikey: GWQOOADXMVQEFT-UHFFFAOYSA-N
Hvpx_____638_02_8 =  1.5E+02                                  ! [atm] type: M, ref: 3669
Hvpx_____638_02_8 =  3.4E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____638_02_8 =  4.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____638_02_8 =  4.1E+01                                  ! [atm] type: Q, ref: 3406
Hvpx_____638_02_8 =  4.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  2-ethylthiophene
! formula:  C_6H_8S
! trivial:  
! casrn:    872-55-9
! inchikey: JCCCMAAJYSNBPR-UHFFFAOYSA-N
Hvpx_____872_55_9 =  3.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____872_55_9 =  1.4E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____872_55_9 =  3.8E+02                                  ! [atm] type: Q, ref: 3579
Hvpx_____872_55_9 =  2.8E+02                                  ! [atm] type: ?, ref: 3812

! species:  3,4-dimethylthiophene
! formula:  C_6H_8S
! trivial:  
! casrn:    632-15-5
! inchikey: GPSFYJDZKSRMKZ-UHFFFAOYSA-N
Hvpx_____632_15_5 =  3.7E+02                                  ! [atm] type: V, ref: 3812
Hvpx_____632_15_5 =  4.4E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____632_15_5 =  3.2E+02                                  ! [atm] type: Q, ref: 3406
Hvpx_____632_15_5 =  4.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  3-ethylthiophene
! formula:  C_6H_8S
! trivial:  
! casrn:    1795-01-3
! inchikey: SLDBAXYJAIRQMX-UHFFFAOYSA-N
Hvpx____1795_01_3 =  3.4E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1795_01_3 =  4.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1795_01_3 =  2.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____1795_01_3 =  3.9E+02                                  ! [atm] type: Q, ref: 3579

! species:  2,3,4-trimethylthiophene
! formula:  C_7H_{10}S
! trivial:  
! casrn:    1795-04-6
! inchikey: MAVVDCDMBKFUES-UHFFFAOYSA-N
Hvpx____1795_04_6 =  4.2E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1795_04_6 =  5.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1795_04_6 =  1.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____1795_04_6 =  5.3E+02                                  ! [atm] type: Q, ref: 3579

! species:  2,3,5-trimethylthiophene
! formula:  C_7H_{10}S
! trivial:  
! casrn:    1795-05-7
! inchikey: QKZJQIHBRCFDGQ-UHFFFAOYSA-N
Hvpx____1795_05_7 =  4.9E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1795_05_7 =  5.9E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1795_05_7 =  7.6E+01                                  ! [atm] type: Q, ref: 3406
Hvpx____1795_05_7 =  5.6E+02                                  ! [atm] type: Q, ref: 3579

! species:  2-isopropylthiophene
! formula:  C_7H_{10}S
! trivial:  
! casrn:    4095-22-1
! inchikey: LOXBELRNKUFSRD-UHFFFAOYSA-N
Hvpx____4095_22_1 =  4.2E+02                                  ! [atm] type: V, ref: 3812
Hvpx____4095_22_1 =  5.0E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____4095_22_1 =  3.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____4095_22_1 =  4.8E+02                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-3-ethylthiophene
! formula:  C_7H_{10}S
! trivial:  
! casrn:    53119-51-0
! inchikey: RBRAJDCWXUJHIY-UHFFFAOYSA-N
Hvpx___53119_51_0 =  4.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx___53119_51_0 =  5.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___53119_51_0 =  1.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___53119_51_0 =  5.5E+02                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-4-ethylthiophene
! formula:  C_7H_{10}S
! trivial:  
! casrn:    13678-54-1
! inchikey: KIWVMUQUYOKTKU-UHFFFAOYSA-N
Hvpx___13678_54_1 =  4.8E+02                                  ! [atm] type: V, ref: 3812
Hvpx___13678_54_1 =  5.7E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___13678_54_1 =  1.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___13678_54_1 =  5.5E+02                                  ! [atm] type: Q, ref: 3579

! species:  2-methyl-5-ethylthiophene
! formula:  C_7H_{10}S
! trivial:  
! casrn:    40323-88-4
! inchikey: VOIVNYVBGCJFRW-UHFFFAOYSA-N
Hvpx___40323_88_4 =  4.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx___40323_88_4 =  5.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___40323_88_4 =  8.2E+01                                  ! [atm] type: Q, ref: 3406
Hvpx___40323_88_4 =  5.0E+02                                  ! [atm] type: Q, ref: 3579

! species:  2-propylthiophene
! formula:  C_7H_{10}S
! trivial:  
! casrn:    1551-27-5
! inchikey: BTXIJTYYMLCUHI-UHFFFAOYSA-N
Hvpx____1551_27_5 =  4.5E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1551_27_5 =  5.3E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1551_27_5 =  1.8E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____1551_27_5 =  5.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  3-isopropylthiophene
! formula:  C_7H_{10}S
! trivial:  
! casrn:    29488-27-5
! inchikey: LJPDBPCGTFTUDE-UHFFFAOYSA-N
Hvpx___29488_27_5 =  4.8E+02                                  ! [atm] type: V, ref: 3812
Hvpx___29488_27_5 =  5.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___29488_27_5 =  3.9E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___29488_27_5 =  5.4E+02                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-2-ethylthiophene
! formula:  C_7H_{10}S
! trivial:  
! casrn:    31805-48-8
! inchikey: VVSCPYCHXFEKLF-UHFFFAOYSA-N
Hvpx___31805_48_8 =  4.7E+02                                  ! [atm] type: V, ref: 3812
Hvpx___31805_48_8 =  5.6E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___31805_48_8 =  2.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___31805_48_8 =  5.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-4-ethylthiophene
! formula:  C_7H_{10}S
! trivial:  
! casrn:    66577-03-5
! inchikey: QMHNYDJBWOPGHE-UHFFFAOYSA-N
Hvpx___66577_03_5 =  4.3E+02                                  ! [atm] type: V, ref: 3812
Hvpx___66577_03_5 =  5.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66577_03_5 =  6.7E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___66577_03_5 =  5.3E+02                                  ! [atm] type: Q, ref: 3579

! species:  3-methyl-5-ethylthiophene
! formula:  C_7H_{10}S
! trivial:  2-ethyl-4-methylthiophene
! casrn:    66577-04-6
! inchikey: NZOYEHPXDWJOCD-UHFFFAOYSA-N
Hvpx___66577_04_6 =  4.3E+02                                  ! [atm] type: V, ref: 3812
Hvpx___66577_04_6 =  5.2E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx___66577_04_6 =  3.1E+02                                  ! [atm] type: Q, ref: 3406
Hvpx___66577_04_6 =  5.1E+02                                  ! [atm] type: Q, ref: 3579

! species:  3-propylthiophene
! formula:  C_7H_{10}S
! trivial:  
! casrn:    1518-75-8
! inchikey: QZNFRMXKQCIPQY-UHFFFAOYSA-N
Hvpx____1518_75_8 =  4.6E+02                                  ! [atm] type: V, ref: 3812
Hvpx____1518_75_8 =  5.5E+02                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx____1518_75_8 =  3.6E+02                                  ! [atm] type: Q, ref: 3406
Hvpx____1518_75_8 =  5.2E+02                                  ! [atm] type: Q, ref: 3579

! species:  benzenethiol
! formula:  C_6H_5SH
! trivial:  thiophenol
! casrn:    108-98-5
! inchikey: RMVRSNDYEFQCLF-UHFFFAOYSA-N
Hvpx_____108_98_5 =  1.9E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____108_98_5 =  1.9E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____108_98_5 =  1.8E+01                                  ! [atm] type: V, ref: 642
Hvpx_____108_98_5 =  1.8E+01                                  ! [atm] type: V, ref: 714
Hvpx_____108_98_5 =  1.8E+01                                  ! [atm] type: C, ref: 2165
Hvpx_____108_98_5 =  1.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____108_98_5 =  1.3E+01                                  ! [atm] type: Q, ref: 2521
Hvpx_____108_98_5 =  2.1E+01                                  ! [atm] type: Q, ref: 2530
Hvpx_____108_98_5 =  1.9E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____108_98_5 =  3.3E+01                                  ! [atm] type: Q, ref: 2543
Hvpx_____108_98_5 =  3.0E+01                                  ! [atm] type: Q, ref: 3764
Hvpx_____108_98_5 =  5.4E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____108_98_5 =  1.8E+01                                  ! [atm] type: Q, ref: 1162
Hvpx_____108_98_5 =  1.8E+01                                  ! [atm] type: ?, ref: 1500

! species:  methyl phenyl sulfide
! formula:  C_6H_5SCH_3
! trivial:  thioanisole
! casrn:    100-68-5
! inchikey: HNKJADCVZUBCPG-UHFFFAOYSA-N
Hvpx_____100_68_5 =  1.4E+01                                  ! [atm] type: V, ref: 642
Hvpx_____100_68_5 =  1.3E+01                                  ! [atm] type: V, ref: 714
Hvpx_____100_68_5 =  9.4E+00                                  ! [atm] type: Q, ref: 2521
Hvpx_____100_68_5 =  1.3E+01                                  ! [atm] type: Q, ref: 2535
Hvpx_____100_68_5 =  2.4E+01                                  ! [atm] type: Q, ref: 984
Hvpx_____100_68_5 =  1.4E+01                                  ! [atm] type: Q, ref: 1162

! species:  2-methylbenzenethiol
! formula:  C_7H_8S
! trivial:  2-thiocresol
! casrn:    137-06-4
! inchikey: LXUNZSDDXMPKLP-UHFFFAOYSA-N
Hvpx_____137_06_4 =  2.0E+01                                  ! [atm] type: Q, ref: 3088

! species:  3-methylbenzenethiol
! formula:  C_7H_8S
! trivial:  3-thiocresol
! casrn:    108-40-7
! inchikey: WRXOZRLZDJAYDR-UHFFFAOYSA-N
Hvpx_____108_40_7 =  2.0E+01                                  ! [atm] type: Q, ref: 3088

! species:  4-methylbenzenethiol
! formula:  C_7H_8S
! trivial:  4-thiocresol
! casrn:    106-45-6
! inchikey: WLHCBQAPPJAULW-UHFFFAOYSA-N
Hvpx_____106_45_6 =  2.0E+01                                  ! [atm] type: Q, ref: 3088

! species:  benzenemethanethiol
! formula:  C_7H_8S
! trivial:  
! casrn:    100-53-8
! inchikey: UENWRTRMUIOCKN-UHFFFAOYSA-N
Hvpx_____100_53_8 =  1.2E+01                                  ! [atm] type: Q, ref: 3088

! species:  benzo[$b$]thiophene
! formula:  C_8H_6S
! trivial:  
! casrn:    95-15-8
! inchikey: FCEHBMOGCRZNNI-UHFFFAOYSA-N
Hvpx______95_15_8 =  1.3E+01                                  ! [atm] type: V, ref: 636
Hvpx______95_15_8 =  1.5E+01                                  ! [atm] type: V, ref: 3945
Hvpx______95_15_8 =  1.8E+01                                  ! [atm] type: ?, ref: 2440

! species:  dibenzothiophene
! formula:  C_{12}H_8S
! trivial:  
! casrn:    132-65-0
! inchikey: IYYZUPMFVPLQIF-UHFFFAOYSA-N
Hvpx_____132_65_0 =  1.9E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____132_65_0 =  1.9E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____132_65_0 =  2.4E+01                                  ! [atm] type: V, ref: 2614
Hvpx_____132_65_0 =  2.4E+01                                  ! [atm] type: V, ref: 636
Hvpx_____132_65_0 =  2.4E+01                                  ! [atm] type: V, ref: 3945
Hvpx_____132_65_0 =  4.4E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____132_65_0 =  1.7E+00                                  ! [atm] type: Q, ref: 3400

! species:  thianthrene
! formula:  C_{12}H_8S_2
! trivial:  
! casrn:    92-85-3
! inchikey: GVIJJXMXTUZIOD-UHFFFAOYSA-N
Hvpx______92_85_3 =  1.4E-01                                  ! [atm] type: Q, ref: 3627

! species:  2-methyldibenzothiophene
! formula:  C_{13}H_{10}S
! trivial:  
! casrn:    20928-02-3
! inchikey: VHUXLBLPAMBOJS-UHFFFAOYSA-N
Hvpx___20928_02_3 =  2.0E+00                                  ! [atm] type: Q, ref: 3400

! species:  2,3-dimethyldibenzothiophene
! formula:  C_{14}H_{12}S
! trivial:  
! casrn:    31317-17-6
! inchikey: KEIKATUAMBEIQN-UHFFFAOYSA-N
Hvpx___31317_17_6 =  1.8E+00                                  ! [atm] type: Q, ref: 3400

! species:  2,8-dimethyldibenzothiophene
! formula:  C_{14}H_{12}S
! trivial:  
! casrn:    1207-15-4
! inchikey: RRYWCJRYULRSJM-UHFFFAOYSA-N
Hvpx____1207_15_4 =  2.2E+00                                  ! [atm] type: Q, ref: 3400

! species:  benzyl sulfide
! formula:  C_{14}H_{14}S
! trivial:  
! casrn:    538-74-9
! inchikey: LUFPJJNWMYZRQE-UHFFFAOYSA-N
Hvpx_____538_74_9 =  2.8E-01                                  ! [atm] type: Q, ref: 3088

! species:  2,3,7-trimethyldibenzothiophene
! formula:  C_{15}H_{14}S
! trivial:  
! casrn:    UNKNOWN
! inchikey: HJSMFSZKADBZIO-UHFFFAOYSA-N
Hvpx_HJSMFSZKADBZIO_UHFFFAOYSA_N =  2.0E+00                                  ! [atm] type: Q, ref: 3400

! species:  2,3,8-trimethyldibenzothiophene
! formula:  C_{15}H_{14}S
! trivial:  
! casrn:    UNKNOWN
! inchikey: QSOGKFSFLARZIE-UHFFFAOYSA-N
Hvpx_QSOGKFSFLARZIE_UHFFFAOYSA_N =  2.0E+00                                  ! [atm] type: Q, ref: 3400

! species:  2,4,7-trimethyldibenzothiophene
! formula:  C_{15}H_{14}S
! trivial:  
! casrn:    216983-03-8
! inchikey: YDWNRDFOOADVGC-UHFFFAOYSA-N
Hvpx__216983_03_8 =  2.8E+00                                  ! [atm] type: Q, ref: 3400

! species:  4,6-diethyldibenzothiophene
! formula:  C_{16}H_{16}S
! trivial:  
! casrn:    132034-91-4
! inchikey: UMQGGSYHJPHWFV-UHFFFAOYSA-N
Hvpx__132034_91_4 =  4.1E+00                                  ! [atm] type: Q, ref: 3400

! species:  2-butyldibenzothiophene
! formula:  C_{16}H_{16}S
! trivial:  
! casrn:    147792-31-2
! inchikey: BEQMTJNPMZQPKZ-UHFFFAOYSA-N
Hvpx__147792_31_2 =  3.4E+00                                  ! [atm] type: Q, ref: 3400

! species:  carbon oxide sulfide
! formula:  OCS
! trivial:  carbonyl sulfide
! casrn:    463-58-1
! inchikey: JJWKPURADFRFRB-UHFFFAOYSA-N
Hvpx_____463_58_1 =  2.7E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3500
Hvpx_____463_58_1 =  2.7E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 3245
Hvpx_____463_58_1 =  2.6E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: L, ref: 2828
Hvpx_____463_58_1 =  2.7E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 2626
Hvpx_____463_58_1 =  2.7E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: L, ref: 1945
Hvpx_____463_58_1 =  2.6E+03 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: L, ref: 190
Hvpx_____463_58_1 =  2.5E+03 * EXP(  -2100.*(1./T-1./298.15)) ! [atm] type: M, ref: 586
Hvpx_____463_58_1 =  3.7E+03 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 524
Hvpx_____463_58_1 =  3.6E+03 * EXP(  -3500.*(1./T-1./298.15)) ! [atm] type: M, ref: 3119
Hvpx_____463_58_1 =  2.3E+03                                  ! [atm] type: M, ref: 2933
Hvpx_____463_58_1 =  2.6E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3718
Hvpx_____463_58_1 =  2.6E+03 * EXP(  -3300.*(1./T-1./298.15)) ! [atm] type: M, ref: 862
Hvpx_____463_58_1 =  1.6E+03                                  ! [atm] type: M, ref: 869
Hvpx_____463_58_1 =  3.4E+04                                  ! [atm] type: V, ref: 3586
Hvpx_____463_58_1 =  3.4E+04                                  ! [atm] type: V, ref: 3088
Hvpx_____463_58_1 =  2.8E+03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____463_58_1 =  2.7E+03                                  ! [atm] type: Q, ref: 3728
Hvpx_____463_58_1 =  1.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____463_58_1 =  2.8E+03                                  ! [atm] type: Q, ref: 3579
Hvpx_____463_58_1 =  2.8E+03                                  ! [atm] type: ?, ref: 2440
Hvpx_____463_58_1 =  2.6E+03 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: ?, ref: 3811
Hvpx_____463_58_1 =  2.8E+03                                  ! [atm] type: ?, ref: 789

! species:  methanesulfonic acid
! formula:  CH_3SO_3H
! trivial:  MSA
! casrn:    75-75-2
! inchikey: AFVFQIVMOAPDHO-UHFFFAOYSA-N
Hvpx______75_75_2 =  7.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx______75_75_2 =  4.6E-07                                  ! [atm] type: Q, ref: 3409
Hvpx______75_75_2 =  1.1E-06                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3SO2OOH
! formula:  CH_4O_4S
! trivial:  
! casrn:    UNKNOWN
! inchikey: BENVNICSYZXTGE-UHFFFAOYSA-N
Hvpx_BENVNICSYZXTGE_UHFFFAOYSA_N =  2.9E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_BENVNICSYZXTGE_UHFFFAOYSA_N =  5.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_BENVNICSYZXTGE_UHFFFAOYSA_N =  3.0E-05                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3SOOOH
! formula:  CH_4O_3S
! trivial:  
! casrn:    UNKNOWN
! inchikey: IZTYBZWDPIUSAG-UHFFFAOYSA-N
Hvpx_IZTYBZWDPIUSAG_UHFFFAOYSA_N =  1.3E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_IZTYBZWDPIUSAG_UHFFFAOYSA_N =  9.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_IZTYBZWDPIUSAG_UHFFFAOYSA_N =  2.0E-04                                  ! [atm] type: Q, ref: 3409

! species:  MCM:MSIA
! formula:  CH_4O_2S
! trivial:  
! casrn:    UNKNOWN
! inchikey: XNEFVTBPCXGIRX-UHFFFAOYSA-N
Hvpx_XNEFVTBPCXGIRX_UHFFFAOYSA_N =  3.4E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_XNEFVTBPCXGIRX_UHFFFAOYSA_N =  6.9E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_XNEFVTBPCXGIRX_UHFFFAOYSA_N =  1.5E-06                                  ! [atm] type: Q, ref: 3409

! species:  sulfuric acid, dimethyl ester
! formula:  C_2H_6O_4S
! trivial:  dimethyl sulfate
! casrn:    77-78-1
! inchikey: VAYGXNSJCAHWJZ-UHFFFAOYSA-N
Hvpx______77_78_1 =  8.0E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______77_78_1 =  2.2E-01                                  ! [atm] type: ?, ref: 2440

! species:  dimethylsulfoxide
! formula:  CH_3SOCH_3
! trivial:  DMSO
! casrn:    67-68-5
! inchikey: IAZDPXIOMUYVGZ-UHFFFAOYSA-N
Hvpx______67_68_5 =  5.6E-04                                  ! [atm] type: L, ref: 3500
Hvpx______67_68_5 =  5.6E-04                                  ! [atm] type: L, ref: 3245
Hvpx______67_68_5 =  6.8E-05 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx______67_68_5 =  5.6E-04                                  ! [atm] type: L, ref: 2626
Hvpx______67_68_5 =  5.6E-04                                  ! [atm] type: L, ref: 1945
Hvpx______67_68_5 =  5.5E-05                                  ! [atm] type: M, ref: 1124
Hvpx______67_68_5 =  5.8E-04 * EXP(  -1300.*(1./T-1./298.15)) ! [atm] type: M, ref: 824
Hvpx______67_68_5 =  1.2E-01                                  ! [atm] type: V, ref: 2614
Hvpx______67_68_5 =  1.2E-01                                  ! [atm] type: V, ref: 636
Hvpx______67_68_5 =  5.3E-05 * EXP(  -8700.*(1./T-1./298.15)) ! [atm] type: T, ref: 2016
Hvpx______67_68_5 =  4.0E-02                                  ! [atm] type: C, ref: 510
Hvpx______67_68_5 =  2.8E-03                                  ! [atm] type: Q, ref: 3730
Hvpx______67_68_5 =  4.3E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______67_68_5 =  1.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx______67_68_5 =  1.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx______67_68_5 =  2.7E-06                                  ! [atm] type: Q, ref: 3409
Hvpx______67_68_5 =  1.3E-04                                  ! [atm] type: Q, ref: 2521
Hvpx______67_68_5 =  8.2E-05                                  ! [atm] type: Q, ref: 2531
Hvpx______67_68_5 =  8.4E-05                                  ! [atm] type: ?, ref: 3586

! species:  dimethylsulfone
! formula:  CH_3SO_2CH_3
! trivial:  DMSO2
! casrn:    67-71-0
! inchikey: HHVIBTZHLRERCL-UHFFFAOYSA-N
Hvpx______67_71_0 =  1.1E+02                                  ! [atm] type: V, ref: 2614
Hvpx______67_71_0 =  1.1E+02                                  ! [atm] type: V, ref: 636
Hvpx______67_71_0 =  1.4E-01                                  ! [atm] type: Q, ref: 3409
Hvpx______67_71_0 =  1.6E-05                                  ! [atm] type: Q, ref: 3409
Hvpx______67_71_0 =  3.0E-06                                  ! [atm] type: Q, ref: 3409
Hvpx______67_71_0 =  1.1E-03                                  ! [atm] type: E, ref: 389

! species:  mercaptoacetic acid
! formula:  C_2H_4O_2S
! trivial:  
! casrn:    68-11-1
! inchikey: CWERGRDVMFNCDR-UHFFFAOYSA-N
Hvpx______68_11_1 =  1.1E-03                                  ! [atm] type: Q, ref: 3088

! species:  2-mercaptoethanol
! formula:  C_2H_6OS
! trivial:  
! casrn:    60-24-2
! inchikey: DGVVWUTYPXICAM-UHFFFAOYSA-N
Hvpx______60_24_2 =  1.0E-02                                  ! [atm] type: V, ref: 3586
Hvpx______60_24_2 =  1.0E-02                                  ! [atm] type: V, ref: 3088
Hvpx______60_24_2 =  5.4E-03                                  ! [atm] type: Q, ref: 3586

! species:  methanesulfonic acid, methyl ester
! formula:  C_2H_6O_3S
! trivial:  
! casrn:    66-27-3
! inchikey: MBABOKRGFJTBAE-UHFFFAOYSA-N
Hvpx______66_27_3 =  2.2E-01                                  ! [atm] type: Q, ref: 3088

! species:  MCM:CH3SCH2OOH
! formula:  C_2H_6O_2S
! trivial:  
! casrn:    UNKNOWN
! inchikey: LDZPECMXMDESRV-UHFFFAOYSA-N
Hvpx_LDZPECMXMDESRV_UHFFFAOYSA_N =  5.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LDZPECMXMDESRV_UHFFFAOYSA_N =  4.0E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LDZPECMXMDESRV_UHFFFAOYSA_N =  5.6E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMSO2OOH
! formula:  C_2H_6O_4S
! trivial:  
! casrn:    UNKNOWN
! inchikey: GCLQZLAJAMWHPS-UHFFFAOYSA-N
Hvpx_GCLQZLAJAMWHPS_UHFFFAOYSA_N =  2.1E-06                                  ! [atm] type: Q, ref: 3409
Hvpx_GCLQZLAJAMWHPS_UHFFFAOYSA_N =  8.4E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_GCLQZLAJAMWHPS_UHFFFAOYSA_N =  8.1E-07                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3SCH2OH
! formula:  C_2H_6OS
! trivial:  
! casrn:    UNKNOWN
! inchikey: ZSSFPSNLAUYOFG-UHFFFAOYSA-N
Hvpx_ZSSFPSNLAUYOFG_UHFFFAOYSA_N =  1.3E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSSFPSNLAUYOFG_UHFFFAOYSA_N =  7.2E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_ZSSFPSNLAUYOFG_UHFFFAOYSA_N =  4.8E-02                                  ! [atm] type: Q, ref: 3409

! species:  MCM:DMSO2OH
! formula:  C_2H_6O_3S
! trivial:  
! casrn:    UNKNOWN
! inchikey: ICHBUPLXTAHKLA-UHFFFAOYSA-N
Hvpx_ICHBUPLXTAHKLA_UHFFFAOYSA_N =  5.5E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_ICHBUPLXTAHKLA_UHFFFAOYSA_N =  9.7E-08                                  ! [atm] type: Q, ref: 3409
Hvpx_ICHBUPLXTAHKLA_UHFFFAOYSA_N =  9.5E-08                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3SCHO
! formula:  C_2H_4OS
! trivial:  
! casrn:    UNKNOWN
! inchikey: LFJRGYNYRORDDM-UHFFFAOYSA-N
Hvpx_LFJRGYNYRORDDM_UHFFFAOYSA_N =  4.1E-01                                  ! [atm] type: Q, ref: 3409
Hvpx_LFJRGYNYRORDDM_UHFFFAOYSA_N =  3.7E+00                                  ! [atm] type: Q, ref: 3409
Hvpx_LFJRGYNYRORDDM_UHFFFAOYSA_N =  1.1E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3SO2CHO
! formula:  C_2H_4O_3S
! trivial:  
! casrn:    UNKNOWN
! inchikey: LUGQISNSRPQOGS-UHFFFAOYSA-N
Hvpx_LUGQISNSRPQOGS_UHFFFAOYSA_N =  1.8E-04                                  ! [atm] type: Q, ref: 3409
Hvpx_LUGQISNSRPQOGS_UHFFFAOYSA_N =  1.5E-03                                  ! [atm] type: Q, ref: 3409
Hvpx_LUGQISNSRPQOGS_UHFFFAOYSA_N =  2.5E-03                                  ! [atm] type: Q, ref: 3409

! species:  mercaptoacetic acid, methyl ester
! formula:  C_3H_6O_2S
! trivial:  methyl thioglycolate
! casrn:    2365-48-2
! inchikey: MKIJJIMOAABWGF-UHFFFAOYSA-N
Hvpx____2365_48_2 =  3.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  1,3-propane sultone
! formula:  C_3H_6O_3S
! trivial:  
! casrn:    1120-71-4
! inchikey: FSSPGSAQUIYDCN-UHFFFAOYSA-N
Hvpx____1120_71_4 =  3.5E-04                                  ! [atm] type: ?, ref: 3766

! species:  methanesulfonic acid, ethyl ester
! formula:  C_3H_8O_3S
! trivial:  
! casrn:    62-50-0
! inchikey: PLUBXMRUUVWRLT-UHFFFAOYSA-N
Hvpx______62_50_0 =  1.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx______62_50_0 =  1.9E+01                                  ! [atm] type: Q, ref: 3586
Hvpx______62_50_0 =  3.0E-01                                  ! [atm] type: Q, ref: 3088

! species:  2,3-dimercapto-1-propanol
! formula:  C_3H_8OS_2
! trivial:  
! casrn:    59-52-9
! inchikey: WQABCVAJNWAXTE-UHFFFAOYSA-N
Hvpx______59_52_9 =  5.2E-04                                  ! [atm] type: V, ref: 3586
Hvpx______59_52_9 =  1.3E-04                                  ! [atm] type: Q, ref: 3586

! species:  divinyl sulfoxide
! formula:  C_4H_6OS
! trivial:  vinyl sulfoxide
! casrn:    1115-15-7
! inchikey: HQSMEHLVLOGBCK-UHFFFAOYSA-N
Hvpx____1115_15_7 =  2.2E-02                                  ! [atm] type: Q, ref: 3088

! species:  divinyl sulphone
! formula:  C_4H_6O_2S
! trivial:  
! casrn:    77-77-0
! inchikey: AFOSIXZFDONLBT-UHFFFAOYSA-N
Hvpx______77_77_0 =  2.7E+00                                  ! [atm] type: Q, ref: 3088

! species:  2,5-dihydrothiophene sulfone
! formula:  C_4H_6O_2S
! trivial:  2,5-dihydrothiophene 1,1-dioxide
! casrn:    77-79-2
! inchikey: MBDNRNMVTZADMQ-UHFFFAOYSA-N
Hvpx______77_79_2 =  2.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  thiodiacetic acid
! formula:  C_4H_6O_4S
! trivial:  
! casrn:    123-93-3
! inchikey: UVZICZIVKIMRNE-UHFFFAOYSA-N
Hvpx_____123_93_3 =  2.4E-09                                  ! [atm] type: Q, ref: 3088

! species:  thiophene, tetrahydro-, 1,1-dioxide
! formula:  C_4H_8O_2S
! trivial:  sulfolane
! casrn:    126-33-0
! inchikey: HXJUTPCZVOIRIF-UHFFFAOYSA-N
Hvpx_____126_33_0 =  2.7E-01                                  ! [atm] type: Q, ref: 3088

! species:  2-(ethylthio)ethanol
! formula:  C_4H_{10}OS
! trivial:  
! casrn:    110-77-0
! inchikey: LNRIEBFNWGMXKP-UHFFFAOYSA-N
Hvpx_____110_77_0 =  2.8E-03                                  ! [atm] type: Q, ref: 3088

! species:  thiodiglycol
! formula:  C_4H_{10}O_2S
! trivial:  
! casrn:    111-48-8
! inchikey: YODZTKMDCQEPHD-UHFFFAOYSA-N
Hvpx_____111_48_8 =  1.1E-04                                  ! [atm] type: Q, ref: 3088

! species:  methanesulfonic acid, 1-methylethyl ester
! formula:  C_4H_{10}O_3S
! trivial:  
! casrn:    926-06-7
! inchikey: SWWHCQCMVCPLEQ-UHFFFAOYSA-N
Hvpx_____926_06_7 =  3.9E-01                                  ! [atm] type: Q, ref: 3088

! species:  diethyl sulfate
! formula:  C_4H_{10}O_4S
! trivial:  
! casrn:    64-67-5
! inchikey: DENRZWYUOJLTMF-UHFFFAOYSA-N
Hvpx______64_67_5 =  3.4E-01                                  ! [atm] type: ?, ref: 3766

! species:  S-methyl butanethioate
! formula:  C_5H_{10}OS
! trivial:  
! casrn:    2432-51-1
! inchikey: GRLJIIJNZJVMGP-UHFFFAOYSA-N
Hvpx____2432_51_1 =  2.1E+01                                  ! [atm] type: M, ref: 3671

! species:  4-hydroxybenzenesulfonic acid
! formula:  C_6H_6O_4S
! trivial:  
! casrn:    98-67-9
! inchikey: FEPBITJSIHRMRT-UHFFFAOYSA-N
Hvpx______98_67_9 =  1.4E-08                                  ! [atm] type: Q, ref: 3088

! species:  benzenesulfonic acid
! formula:  C_6H_6O_3S
! trivial:  
! casrn:    98-11-3
! inchikey: SRSXLGNVWSONIS-UHFFFAOYSA-N
Hvpx______98_11_3 =  1.4E-04                                  ! [atm] type: Q, ref: 3088

! species:  dimethipin
! formula:  C_6H_{10}O_4S_2
! trivial:  
! casrn:    55290-64-7
! inchikey: PHVNLLCAQHGNKU-UHFFFAOYSA-N
Hvpx___55290_64_7 =  1.3E-06                                  ! [atm] type: V, ref: 3586
Hvpx___55290_64_7 =  7.8E-07                                  ! [atm] type: Q, ref: 3586
Hvpx___55290_64_7 =  1.3E-06                                  ! [atm] type: ?, ref: 3087

! species:  4-methylbenzenesulfonic acid
! formula:  C_7H_8O_3S
! trivial:  
! casrn:    104-15-4
! inchikey: JOXIMZWYDAKGHI-UHFFFAOYSA-N
Hvpx_____104_15_4 =  1.5E-04                                  ! [atm] type: Q, ref: 3088

! species:  phenylmethanesulfonic acid
! formula:  C_7H_8O_3S
! trivial:  benzylsulfonic acid
! casrn:    100-87-8
! inchikey: NIXKBAZVOQAHGC-UHFFFAOYSA-N
Hvpx_____100_87_8 =  5.5E-05                                  ! [atm] type: Q, ref: 3088

! species:  isoprothiolane
! formula:  C_{12}H_{18}O_4S_2
! trivial:  
! casrn:    50512-35-1
! inchikey: UFHLMYOGRXOCSL-UHFFFAOYSA-N
Hvpx___50512_35_1 =  5.6E+00                                  ! [atm] type: V, ref: 3586
Hvpx___50512_35_1 =  2.0E-04                                  ! [atm] type: Q, ref: 3586

! species:  4,4'-sulfonyldiphenol
! formula:  C_{12}H_{10}O_4S
! trivial:  bisphenol S
! casrn:    80-09-1
! inchikey: VPWNQTHUCYMVMZ-UHFFFAOYSA-N
Hvpx______80_09_1 =  1.5E-10                                  ! [atm] type: Q, ref: 3088

! species:  benfuresate
! formula:  C_{12}H_{16}O_4S
! trivial:  
! casrn:    68505-69-1
! inchikey: QGQSRQPXXMTJCM-UHFFFAOYSA-N
Hvpx___68505_69_1 =  1.5E-03                                  ! [atm] type: ?, ref: 3766

! species:  lauryl sulfate
! formula:  C_{12}H_{26}O_4S
! trivial:  dodecyl sulfate
! casrn:    151-41-7
! inchikey: MOTZDAYCYVMXPC-UHFFFAOYSA-N
Hvpx_____151_41_7 =  1.0E-02                                  ! [atm] type: Q, ref: 3088

! species:  ethofumesate
! formula:  C_{13}H_{18}O_5S
! trivial:  
! casrn:    26225-79-6
! inchikey: IRCMYGHHKLLGHV-UHFFFAOYSA-N
Hvpx___26225_79_6 =  2.0E-03                                  ! [atm] type: V, ref: 3586
Hvpx___26225_79_6 =  2.0E-03                                  ! [atm] type: V, ref: 3088
Hvpx___26225_79_6 =  1.2E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx___26225_79_6 =  7.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx___26225_79_6 =  4.8E-03                                  ! [atm] type: Q, ref: 3729
Hvpx___26225_79_6 =  2.0E-03                                  ! [atm] type: ?, ref: 3549

! species:  1,1'-sulfonylbis(4-(1-methylethyl)-benzene
! formula:  C_{18}H_{22}O_2S
! trivial:  
! casrn:    57913-35-6
! inchikey: PKQWGBLKCJIMDP-UHFFFAOYSA-N
Hvpx___57913_35_6 =  5.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___57913_35_6 =  1.9E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___57913_35_6 =  8.2E-06                                  ! [atm] type: Q, ref: 2995
Hvpx___57913_35_6 =  1.7E-03                                  ! [atm] type: Q, ref: 2995

! species:  propargite
! formula:  C_{19}H_{26}O_4S
! trivial:  
! casrn:    2312-35-8
! inchikey: ZYHMJXZULPZUED-UHFFFAOYSA-N
Hvpx____2312_35_8 =  3.5E-02                                  ! [atm] type: V, ref: 3586
Hvpx____2312_35_8 =  3.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx____2312_35_8 =  5.4E-03                                  ! [atm] type: Q, ref: 3586

! species:  kadethrin
! formula:  C_{23}H_{24}O_4S
! trivial:  
! casrn:    58769-20-3
! inchikey: UGWALRUNBSBTGI-QJLCOAGJSA-N
Hvpx___58769_20_3 =  4.6E-05                                  ! [atm] type: Q, ref: 3088

! species:  spironolactone
! formula:  C_{24}H_{32}O_4S
! trivial:  
! casrn:    52-01-7
! inchikey: LXMSZDCAJNLERA-PJKOONHHSA-N
Hvpx______52_01_7 =  6.1E-06                                  ! [atm] type: Q, ref: 3088

! species:  2,2'-thiobis(4-(1,1,3,3-tetramethylbutyl)phenol)
! formula:  C_{28}H_{42}O_2S
! trivial:  
! casrn:    3294-03-9
! inchikey: WQYFETFRIRDUPJ-UHFFFAOYSA-N
Hvpx____3294_03_9 =  1.2E-06                                  ! [atm] type: Q, ref: 2995
Hvpx____3294_03_9 =  4.4E-05                                  ! [atm] type: Q, ref: 2995
Hvpx____3294_03_9 =  2.5E-08                                  ! [atm] type: Q, ref: 2995
Hvpx____3294_03_9 =  3.1E-06                                  ! [atm] type: Q, ref: 2995

! species:  propanoic acid, 3,3'-thiobis-, didodecyl ester
! formula:  C_{30}H_{58}O_4S
! trivial:  dilauryl thiodipropionate
! casrn:    123-28-4
! inchikey: GHKOFFNLGXMVNJ-UHFFFAOYSA-N
Hvpx_____123_28_4 =  2.2E-01                                  ! [atm] type: Q, ref: 3088

! species:  dioctadecyl 3,3'-thiodipropionate
! formula:  C_{42}H_{82}O_4S
! trivial:  
! casrn:    693-36-7
! inchikey: PWWSSIYVTQUJQQ-UHFFFAOYSA-N
Hvpx_____693_36_7 =  6.6E+00                                  ! [atm] type: Q, ref: 3088

! species:  methyl isothiocyanate
! formula:  CH_3NCS
! trivial:  
! casrn:    556-61-6
! inchikey: LGDSHSYDSCRFAB-UHFFFAOYSA-N
Hvpx_____556_61_6 =  3.3E+00                                  ! [atm] type: L, ref: 3500
Hvpx_____556_61_6 =  3.3E+00                                  ! [atm] type: L, ref: 3245
Hvpx_____556_61_6 =  3.3E+00                                  ! [atm] type: L, ref: 2626
Hvpx_____556_61_6 =  3.3E+00                                  ! [atm] type: M, ref: 2804
Hvpx_____556_61_6 =  2.5E+00                                  ! [atm] type: V, ref: 3586
Hvpx_____556_61_6 =  2.5E+00                                  ! [atm] type: V, ref: 3088
Hvpx_____556_61_6 =  2.6E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____556_61_6 =  3.1E+01                                  ! [atm] type: Q, ref: 2530

! species:  thiourea
! formula:  CH_4N_2S
! trivial:  
! casrn:    62-56-6
! inchikey: UMGDCJDMYOKAJW-UHFFFAOYSA-N
Hvpx______62_56_6 =  1.1E-04                                  ! [atm] type: V, ref: 3586
Hvpx______62_56_6 =  1.1E-04                                  ! [atm] type: V, ref: 3088
Hvpx______62_56_6 =  3.3E-06                                  ! [atm] type: Q, ref: 3586

! species:  hydrazinecarbothioamide
! formula:  CH_5N_3S
! trivial:  1-amino-2-thiourea
! casrn:    79-19-6
! inchikey: BRWIZMBXBAOCCF-UHFFFAOYSA-N
Hvpx______79_19_6 =  3.7E-05                                  ! [atm] type: Q, ref: 3088

! species:  thiocyanic acid, methyl ester
! formula:  C_2H_3NS
! trivial:  
! casrn:    556-64-9
! inchikey: VYHVQEYOFIYNJP-UHFFFAOYSA-N
Hvpx_____556_64_9 =  2.4E+00                                  ! [atm] type: Q, ref: 3088

! species:  ethanethioamide
! formula:  C_2H_5NS
! trivial:  thioacetamide
! casrn:    62-55-5
! inchikey: YUKQRDCYNOVPGJ-UHFFFAOYSA-N
Hvpx______62_55_5 =  3.5E-01                                  ! [atm] type: Q, ref: 3088

! species:  mercaptamine
! formula:  C_2H_7NS
! trivial:  cysteamine
! casrn:    60-23-1
! inchikey: UFULAYFCSOUIOV-UHFFFAOYSA-N
Hvpx______60_23_1 =  2.0E-02                                  ! [atm] type: Q, ref: 3088

! species:  thiocyanic acid, ethyl ester
! formula:  C_3H_5NS
! trivial:  
! casrn:    542-90-5
! inchikey: WFCLYEAZTHWNEH-UHFFFAOYSA-N
Hvpx_____542_90_5 =  3.2E+00                                  ! [atm] type: Q, ref: 3088

! species:  2-imidazolidinethione
! formula:  C_3H_6N_2S
! trivial:  ethylene thiourea
! casrn:    96-45-7
! inchikey: PDQAZBWRQCGBEV-UHFFFAOYSA-N
Hvpx______96_45_7 =  1.9E-02                                  ! [atm] type: Q, ref: 3088

! species:  ethylthiourea
! formula:  C_3H_8N_2S
! trivial:  
! casrn:    625-53-6
! inchikey: GMEHFXXZSWDEDB-UHFFFAOYSA-N
Hvpx_____625_53_6 =  1.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  allyl isothiocyanate
! formula:  C_4H_5NS
! trivial:  
! casrn:    57-06-7
! inchikey: ZOJBYZNEUISWFT-UHFFFAOYSA-N
Hvpx______57_06_7 =  2.6E+01                                  ! [atm] type: M, ref: 3671
Hvpx______57_06_7 =  1.3E+01                                  ! [atm] type: V, ref: 3586
Hvpx______57_06_7 =  1.3E+01                                  ! [atm] type: V, ref: 3088
Hvpx______57_06_7 =  2.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx______57_06_7 =  2.4E+00                                  ! [atm] type: Q, ref: 2530

! species:  dazomet
! formula:  C_5H_{10}N_2S_2
! trivial:  
! casrn:    533-74-4
! inchikey: QAYICIQNSGETAS-UHFFFAOYSA-N
Hvpx_____533_74_4 =  2.8E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____533_74_4 =  1.2E-05                                  ! [atm] type: V, ref: 2614
Hvpx_____533_74_4 =  1.5E-05                                  ! [atm] type: X, ref: macbean2012
Hvpx_____533_74_4 =  1.5E-06                                  ! [atm] type: Q, ref: 3586
Hvpx_____533_74_4 =  2.8E-05                                  ! [atm] type: ?, ref: 3549

! species:  N,N'-diethylthiourea
! formula:  C_5H_{12}N_2S
! trivial:  
! casrn:    105-55-5
! inchikey: FLVIGYVXZHLUHP-UHFFFAOYSA-N
Hvpx_____105_55_5 =  3.8E-03                                  ! [atm] type: Q, ref: 3088

! species:  tetramethylthiourea
! formula:  C_5H_{12}N_2S
! trivial:  
! casrn:    2782-91-4
! inchikey: MNOILHPDHOHILI-UHFFFAOYSA-N
Hvpx____2782_91_4 =  6.4E-04                                  ! [atm] type: Q, ref: 3088

! species:  thiram
! formula:  C_6H_{12}N_2S_4
! trivial:  
! casrn:    137-26-8
! inchikey: KUAZQDVKQLNFPE-UHFFFAOYSA-N
Hvpx_____137_26_8 =  5.8E-03                                  ! [atm] type: V, ref: 2614
Hvpx_____137_26_8 =  1.8E-02                                  ! [atm] type: X, ref: macbean2012

! species:  bis(dimethylthiocarbamyl) sulfide
! formula:  C_6H_{12}N_2S_3
! trivial:  bis(dimethylthiocarbamoyl) sulfide
! casrn:    97-74-5
! inchikey: REQPQFUJGGOFQL-UHFFFAOYSA-N
Hvpx______97_74_5 =  9.4E-01                                  ! [atm] type: Q, ref: 3088

! species:  benzothiazole
! formula:  C_7H_5NS
! trivial:  
! casrn:    95-16-9
! inchikey: IOJUPLGTWVMSFF-UHFFFAOYSA-N
Hvpx______95_16_9 =  2.0E-02                                  ! [atm] type: Q, ref: 3088
Hvpx______95_16_9 =  2.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______95_16_9 =  2.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______95_16_9 =  4.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______95_16_9 =  2.8E-01                                  ! [atm] type: Q, ref: 2995

! species:  2-mercaptobenzothiazole
! formula:  C_7H_5NS_2
! trivial:  
! casrn:    149-30-4
! inchikey: YXIWHUQXZSMYRE-UHFFFAOYSA-N
Hvpx_____149_30_4 =  2.0E-03                                  ! [atm] type: Q, ref: 3088
Hvpx_____149_30_4 =  2.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____149_30_4 =  2.0E-04                                  ! [atm] type: Q, ref: 2995
Hvpx_____149_30_4 =  2.5E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____149_30_4 =  2.6E-02                                  ! [atm] type: Q, ref: 2995

! species:  2-benzothiazolamine
! formula:  C_7H_6N_2S
! trivial:  
! casrn:    136-95-8
! inchikey: UHGULLIUJBCTEF-UHFFFAOYSA-N
Hvpx_____136_95_8 =  7.2E-06                                  ! [atm] type: Q, ref: 3088

! species:  phenylthiourea
! formula:  C_7H_8N_2S
! trivial:  
! casrn:    103-85-5
! inchikey: FULZLIGZKMKICU-UHFFFAOYSA-N
Hvpx_____103_85_5 =  5.5E-06                                  ! [atm] type: Q, ref: 3088

! species:  aziprotryn
! formula:  C_7H_{11}N_7S
! trivial:  
! casrn:    4658-28-0
! inchikey: AFIIBUOYKYSPKB-UHFFFAOYSA-N
Hvpx____4658_28_0 =  1.4E-03                                  ! [atm] type: Q, ref: 2526
Hvpx____4658_28_0 =  6.0E-04                                  ! [atm] type: ?, ref: 3087

! species:  isothiocyanatobenzene
! formula:  C_7H_5NS
! trivial:  
! casrn:    103-72-0
! inchikey: QKFJKGMPGYROCL-UHFFFAOYSA-N
Hvpx_____103_72_0 =  1.6E+02                                  ! [atm] type: V, ref: 3586
Hvpx_____103_72_0 =  1.1E-01                                  ! [atm] type: Q, ref: 3586

! species:  simetryn
! formula:  C_8H_{15}N_5S
! trivial:  
! casrn:    1014-70-6
! inchikey: MGLWZSOBALDPEK-UHFFFAOYSA-N
Hvpx____1014_70_6 =  2.5E-05                                  ! [atm] type: V, ref: 3586
Hvpx____1014_70_6 =  2.5E-05                                  ! [atm] type: V, ref: 2614
Hvpx____1014_70_6 =  1.4E-07                                  ! [atm] type: Q, ref: 3586
Hvpx____1014_70_6 =  1.9E-05                                  ! [atm] type: Q, ref: 2521
Hvpx____1014_70_6 =  5.4E-05                                  ! [atm] type: Q, ref: 2526

! species:  desmetryn
! formula:  C_8H_{15}N_5S
! trivial:  
! casrn:    1014-69-3
! inchikey: HCRWJJJUKUVORR-UHFFFAOYSA-N
Hvpx____1014_69_3 =  2.7E-05                                  ! [atm] type: V, ref: 3088
Hvpx____1014_69_3 =  1.1E-08                                  ! [atm] type: C, ref: 1931
Hvpx____1014_69_3 =  2.5E-05                                  ! [atm] type: Q, ref: 2521
Hvpx____1014_69_3 =  2.7E-05                                  ! [atm] type: Q, ref: 2526
Hvpx____1014_69_3 =  4.0E-10                                  ! [atm] type: Q, ref: 1931
Hvpx____1014_69_3 =  1.4E-08                                  ! [atm] type: Q, ref: 1931
Hvpx____1014_69_3 =  2.6E-05                                  ! [atm] type: ?, ref: 3087

! species:  thioquinox
! formula:  C_9H_4N_2S_3
! trivial:  
! casrn:    93-75-4
! inchikey: ILERPRJWJPJZDN-UHFFFAOYSA-N
Hvpx______93_75_4 =  4.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  thiocyanic acid, (2-benzothiazolylthio)methyl ester
! formula:  C_9H_6N_2S_3
! trivial:  
! casrn:    21564-17-0
! inchikey: TUBQDCKAWGHZPF-UHFFFAOYSA-N
Hvpx___21564_17_0 =  3.6E-07                                  ! [atm] type: Q, ref: 3088

! species:  ametryn
! formula:  C_9H_{17}N_5S
! trivial:  
! casrn:    834-12-8
! inchikey: RQVYBGPQFYCBGX-UHFFFAOYSA-N
Hvpx_____834_12_8 =  2.6E-02                                  ! [atm] type: M, ref: 3404
Hvpx_____834_12_8 =  1.3E-04                                  ! [atm] type: V, ref: 3088
Hvpx_____834_12_8 =  6.7E-05                                  ! [atm] type: V, ref: 2614
Hvpx_____834_12_8 =  6.6E-05                                  ! [atm] type: V, ref: 1157
Hvpx_____834_12_8 =  6.6E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx_____834_12_8 =  1.3E-04                                  ! [atm] type: C, ref: 1931
Hvpx_____834_12_8 =  4.1E-03                                  ! [atm] type: Q, ref: 3729
Hvpx_____834_12_8 =  4.6E-05                                  ! [atm] type: Q, ref: 2521
Hvpx_____834_12_8 =  1.1E-04                                  ! [atm] type: Q, ref: 2526
Hvpx_____834_12_8 =  6.1E-09                                  ! [atm] type: Q, ref: 1931
Hvpx_____834_12_8 =  5.0E-08                                  ! [atm] type: Q, ref: 1931

! species:  cimetidine
! formula:  C_{10}H_{16}N_6S
! trivial:  
! casrn:    51481-61-9
! inchikey: AQIXAKUUQRKLND-UHFFFAOYSA-N
Hvpx___51481_61_9 =  5.3E-11                                  ! [atm] type: Q, ref: 3088

! species:  prometryn
! formula:  C_{10}H_{19}N_5S
! trivial:  
! casrn:    7287-19-6
! inchikey: AAEVYOVXGOFMJO-UHFFFAOYSA-N
Hvpx____7287_19_6 =  6.6E-04                                  ! [atm] type: V, ref: 3088
Hvpx____7287_19_6 =  2.7E-04                                  ! [atm] type: V, ref: 2614
Hvpx____7287_19_6 =  2.7E-04                                  ! [atm] type: V, ref: 1157
Hvpx____7287_19_6 =  2.8E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx____7287_19_6 =  1.9E-07                                  ! [atm] type: C, ref: 1931
Hvpx____7287_19_6 =  7.2E-04                                  ! [atm] type: C, ref: 1931
Hvpx____7287_19_6 =  2.2E-03                                  ! [atm] type: Q, ref: 3729
Hvpx____7287_19_6 =  7.3E-04                                  ! [atm] type: Q, ref: 2521
Hvpx____7287_19_6 =  2.1E-04                                  ! [atm] type: Q, ref: 2526
Hvpx____7287_19_6 =  1.1E-07                                  ! [atm] type: Q, ref: 1931
Hvpx____7287_19_6 =  4.0E-07                                  ! [atm] type: Q, ref: 1931

! species:  terbutryn
! formula:  C_{10}H_{19}N_5S
! trivial:  
! casrn:    886-50-0
! inchikey: IROINLKCQGIITA-UHFFFAOYSA-N
Hvpx_____886_50_0 =  1.2E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____886_50_0 =  7.8E-04                                  ! [atm] type: V, ref: 2614
Hvpx_____886_50_0 =  7.1E-04                                  ! [atm] type: V, ref: 1157
Hvpx_____886_50_0 =  7.2E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx_____886_50_0 =  4.7E-07                                  ! [atm] type: C, ref: 1931
Hvpx_____886_50_0 =  6.3E-04                                  ! [atm] type: C, ref: 1931
Hvpx_____886_50_0 =  3.3E-03                                  ! [atm] type: Q, ref: 3729
Hvpx_____886_50_0 =  1.2E-04                                  ! [atm] type: Q, ref: 2521
Hvpx_____886_50_0 =  3.4E-04                                  ! [atm] type: Q, ref: 2526
Hvpx_____886_50_0 =  1.1E-07                                  ! [atm] type: Q, ref: 1931
Hvpx_____886_50_0 =  3.9E-07                                  ! [atm] type: Q, ref: 1931

! species:  disulfiram
! formula:  C_{10}H_{20}N_2S_4
! trivial:  
! casrn:    97-77-8
! inchikey: AUZONCFQVSMFAP-UHFFFAOYSA-N
Hvpx______97_77_8 =  4.6E+00                                  ! [atm] type: Q, ref: 3088

! species:  1-naphthalenylthiourea
! formula:  C_{11}H_{10}N_2S
! trivial:  
! casrn:    86-88-4
! inchikey: PIVQQUNOTICCSA-UHFFFAOYSA-N
Hvpx______86_88_4 =  4.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  4,4'-thiobisbenzenamine
! formula:  C_{12}H_{12}N_2S
! trivial:  bis(4-aminophenyl) sulfide
! casrn:    139-65-1
! inchikey: ICNFHJVPAJKPHW-UHFFFAOYSA-N
Hvpx_____139_65_1 =  2.2E-07                                  ! [atm] type: Q, ref: 3088

! species:  dipropetryn
! formula:  C_{11}H_{19}N_5S
! trivial:  
! casrn:    4147-51-7
! inchikey: NPWMZOGDXOFZIN-UHFFFAOYSA-N
Hvpx____4147_51_7 =  9.2E-04                                  ! [atm] type: Q, ref: 2521
Hvpx____4147_51_7 =  3.4E-04                                  ! [atm] type: Q, ref: 2526
Hvpx____4147_51_7 =  8.5E-04                                  ! [atm] type: ?, ref: 3087

! species:  dimethametryn
! formula:  C_{11}H_{21}N_5S
! trivial:  
! casrn:    22936-75-0
! inchikey: IKYICRRUVNIHPP-UHFFFAOYSA-N
Hvpx___22936_75_0 =  6.6E-05                                  ! [atm] type: Q, ref: 2521
Hvpx___22936_75_0 =  5.4E-04                                  ! [atm] type: Q, ref: 2526

! species:  phenothiazine
! formula:  C_{12}H_9NS
! trivial:  
! casrn:    92-84-2
! inchikey: WJFKNYWRSNBZNX-UHFFFAOYSA-N
Hvpx______92_84_2 =  5.3E-03                                  ! [atm] type: Q, ref: 3627
Hvpx______92_84_2 =  1.5E-03                                  ! [atm] type: Q, ref: 3088
Hvpx______92_84_2 =  1.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______92_84_2 =  8.0E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______92_84_2 =  5.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______92_84_2 =  1.3E-03                                  ! [atm] type: Q, ref: 2995

! species:  cymiazole
! formula:  C_{12}H_{14}N_2S
! trivial:  
! casrn:    61676-87-7
! inchikey: YUAUPYJCVKNAEC-UHFFFAOYSA-N
Hvpx___61676_87_7 =  3.6E-03                                  ! [atm] type: ?, ref: 3766

! species:  2,2'-dithiobisbenzothiazole
! formula:  C_{14}H_8N_2S_4
! trivial:  2,2'-dibenzothiazyl disulfide
! casrn:    120-78-5
! inchikey: AFZSMODLJJCVPP-UHFFFAOYSA-N
Hvpx_____120_78_5 =  1.3E-08                                  ! [atm] type: Q, ref: 3088

! species:  methapyrilene
! formula:  C_{14}H_{19}N_3S
! trivial:  
! casrn:    91-80-5
! inchikey: HNJJXZKZRAWDPF-UHFFFAOYSA-N
Hvpx______91_80_5 =  1.5E-02                                  ! [atm] type: V, ref: 3088

! species:  olanzapine
! formula:  C_{17}H_{20}N_4S
! trivial:  
! casrn:    132539-06-1
! inchikey: KVWDHTXUZHCGIO-UHFFFAOYSA-N
Hvpx__132539_06_1 =  4.2E-10                                  ! [atm] type: Q, ref: 3088

! species:  N-(1,1-dimethylethyl)bis(2-benzothiazolesulfen)amide
! formula:  C_{18}H_{17}N_3S_4
! trivial:  
! casrn:    3741-80-8
! inchikey: VILGDADBAQFRJE-UHFFFAOYSA-N
Hvpx____3741_80_8 =  2.2E-09                                  ! [atm] type: Q, ref: 2995
Hvpx____3741_80_8 =  3.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____3741_80_8 =  2.4E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____3741_80_8 =  1.4E-09                                  ! [atm] type: Q, ref: 2995

! species:  buthiobate
! formula:  C_{21}H_{28}N_2S_2
! trivial:  
! casrn:    51308-54-4
! inchikey: ZZVVDIVWGXTDRQ-UHFFFAOYSA-N
Hvpx___51308_54_4 =  1.6E-02                                  ! [atm] type: ?, ref: 3766

! species:  MCM:CH3SO4NO2
! formula:  CH_3NO_6S
! trivial:  
! casrn:    UNKNOWN
! inchikey: IMLJWBRSRKRPAQ-UHFFFAOYSA-N
Hvpx_IMLJWBRSRKRPAQ_UHFFFAOYSA_N =  7.0E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IMLJWBRSRKRPAQ_UHFFFAOYSA_N =  3.4E-05                                  ! [atm] type: Q, ref: 3409
Hvpx_IMLJWBRSRKRPAQ_UHFFFAOYSA_N =  1.7E+01                                  ! [atm] type: Q, ref: 3409

! species:  MCM:CH3SOO2NO2
! formula:  CH_3NO_5S
! trivial:  
! casrn:    UNKNOWN
! inchikey: PGTDFOBGUOOGGZ-UHFFFAOYSA-N
Hvpx_PGTDFOBGUOOGGZ_UHFFFAOYSA_N =  3.1E-07                                  ! [atm] type: Q, ref: 3409
Hvpx_PGTDFOBGUOOGGZ_UHFFFAOYSA_N =  1.4E-09                                  ! [atm] type: Q, ref: 3409
Hvpx_PGTDFOBGUOOGGZ_UHFFFAOYSA_N =  6.6E+00                                  ! [atm] type: Q, ref: 3409

! species:  taurine
! formula:  C_2H_7NO_3S
! trivial:  
! casrn:    107-35-7
! inchikey: XOAAWQZATWQOTB-UHFFFAOYSA-N
Hvpx_____107_35_7 =  9.4E-08                                  ! [atm] type: Q, ref: 3088

! species:  2-amino-5-nitrothiazole
! formula:  C_3H_3N_3O_2S
! trivial:  
! casrn:    121-66-4
! inchikey: MIHADVKEHAFNPG-UHFFFAOYSA-N
Hvpx_____121_66_4 =  2.9E-07                                  ! [atm] type: Q, ref: 3088

! species:  N-(aminothioxomethyl)acetamide
! formula:  C_3H_6N_2OS
! trivial:  1-acetyl-2-thiourea
! casrn:    591-08-2
! inchikey: IPCRBOOJBPETMF-UHFFFAOYSA-N
Hvpx_____591_08_2 =  1.4E-06                                  ! [atm] type: Q, ref: 3088

! species:  acesulfame
! formula:  C_4H_5NO_4S
! trivial:  
! casrn:    33665-90-6
! inchikey: YGCFIWIQZPHFLU-UHFFFAOYSA-N
Hvpx___33665_90_6 =  5.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  methomyl
! formula:  C_5H_{10}N_2O_2S
! trivial:  
! casrn:    16752-77-5
! inchikey: UHXUZOCRWCRNSJ-UHFFFAOYSA-N
Hvpx___16752_77_5 =  2.7E-03                                  ! [atm] type: M, ref: 3404
Hvpx___16752_77_5 =  1.1E-06                                  ! [atm] type: V, ref: 3586
Hvpx___16752_77_5 =  1.1E-06                                  ! [atm] type: V, ref: 3088
Hvpx___16752_77_5 =  1.0E-05                                  ! [atm] type: V, ref: 2614
Hvpx___16752_77_5 =  3.6E-05                                  ! [atm] type: V, ref: 1157
Hvpx___16752_77_5 =  3.6E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx___16752_77_5 =  5.4E-05                                  ! [atm] type: Q, ref: 3586
Hvpx___16752_77_5 =  4.3E-03                                  ! [atm] type: Q, ref: 3729

! species:  4-aminobenzenesulfonic acid
! formula:  C_6H_7NO_3S
! trivial:  sulfanilic acid
! casrn:    121-57-3
! inchikey: HVBSAKJJOYLTQU-UHFFFAOYSA-N
Hvpx_____121_57_3 =  4.9E-08                                  ! [atm] type: Q, ref: 3088

! species:  sulfanilamide
! formula:  C_6H_8N_2O_2S
! trivial:  
! casrn:    63-74-1
! inchikey: FDDDEECHVMSUSB-UHFFFAOYSA-N
Hvpx______63_74_1 =  8.3E-06                                  ! [atm] type: Q, ref: 3088

! species:  nithiazide
! formula:  C_6H_8N_4O_3S
! trivial:  
! casrn:    139-94-6
! inchikey: FQSUTLQHSDLLAN-UHFFFAOYSA-N
Hvpx_____139_94_6 =  8.9E-11                                  ! [atm] type: Q, ref: 3088

! species:  2-methylbenzenesulfonamide
! formula:  C_7H_9NO_2S
! trivial:  $o$-toluenesulfonamide
! casrn:    88-19-7
! inchikey: YCMLQMDWSXFTIF-UHFFFAOYSA-N
Hvpx______88_19_7 =  2.6E-02                                  ! [atm] type: Q, ref: 3088

! species:  4-methylbenzenesulfonamide
! formula:  C_7H_9NO_2S
! trivial:  $p$-toluenesulfonamide
! casrn:    70-55-3
! inchikey: LMYRWZFENFIFIT-UHFFFAOYSA-N
Hvpx______70_55_3 =  2.6E-02                                  ! [atm] type: Q, ref: 3088

! species:  ethidimuron
! formula:  C_7H_{12}N_4O_3S_2
! trivial:  
! casrn:    30043-49-3
! inchikey: KCOCSOWTADCKOL-UHFFFAOYSA-N
Hvpx___30043_49_3 =  3.9E-09                                  ! [atm] type: ?, ref: 3087

! species:  oxamyl
! formula:  C_7H_{13}N_3O_3S
! trivial:  
! casrn:    23135-22-0
! inchikey: KZAUOCCYDRDERY-UITAMQMPSA-N
Hvpx___23135_22_0 =  1.3E-05                                  ! [atm] type: V, ref: 3586
Hvpx___23135_22_0 =  1.3E-05                                  ! [atm] type: V, ref: 3088
Hvpx___23135_22_0 =  1.3E-05                                  ! [atm] type: V, ref: 2614
Hvpx___23135_22_0 =  1.4E-04                                  ! [atm] type: V, ref: 1157
Hvpx___23135_22_0 =  1.4E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx___23135_22_0 =  1.6E-08                                  ! [atm] type: Q, ref: 3586
Hvpx___23135_22_0 =  8.6E-03                                  ! [atm] type: Q, ref: 3729
Hvpx___23135_22_0 =  2.7E-08                                  ! [atm] type: ?, ref: 3549

! species:  aldicarb
! formula:  C_7H_{14}N_2O_2S
! trivial:  
! casrn:    116-06-3
! inchikey: QGLZXHRNAYXIBU-WEVVVXLNSA-N
Hvpx_____116_06_3 =  8.0E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____116_06_3 =  8.3E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____116_06_3 =  6.9E-05                                  ! [atm] type: V, ref: 2614
Hvpx_____116_06_3 =  1.7E-04                                  ! [atm] type: V, ref: 1157
Hvpx_____116_06_3 =  1.8E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx_____116_06_3 =  2.9E-01                                  ! [atm] type: C, ref: 1157
Hvpx_____116_06_3 =  6.9E-05                                  ! [atm] type: Q, ref: 3586
Hvpx_____116_06_3 =  2.1E-02                                  ! [atm] type: Q, ref: 3729

! species:  aldicarb sulfoxide
! formula:  C_7H_{14}N_2O_3S
! trivial:  
! casrn:    1646-87-3
! inchikey: BXPMAGSOWXBZHS-UHFFFAOYSA-N
Hvpx____1646_87_3 =  5.4E-05                                  ! [atm] type: V, ref: 3586
Hvpx____1646_87_3 =  1.3E-07                                  ! [atm] type: Q, ref: 3586

! species:  aldicarb sulfone
! formula:  C_7H_{14}N_2O_4S
! trivial:  
! casrn:    1646-88-4
! inchikey: YRRKLBAKDXSTNC-UHFFFAOYSA-N
Hvpx____1646_88_4 =  1.9E-04                                  ! [atm] type: V, ref: 3586
Hvpx____1646_88_4 =  1.2E-07                                  ! [atm] type: Q, ref: 3586
Hvpx____1646_88_4 =  1.5E-04                                  ! [atm] type: ?, ref: 3087

! species:  butocarboxim
! formula:  C_7H_{14}N_2O_2S
! trivial:  
! casrn:    34681-10-2
! inchikey: SFNPDDSJBGRXLW-UHFFFAOYSA-N
Hvpx___34681_10_2 =  3.2E-05                                  ! [atm] type: V, ref: 3088
Hvpx___34681_10_2 =  3.1E-05                                  ! [atm] type: ?, ref: 3087

! species:  butoxycarboxim
! formula:  C_7H_{14}N_2O_4S
! trivial:  
! casrn:    34681-23-7
! inchikey: CTJBHIROCMPUKL-UHFFFAOYSA-N
Hvpx___34681_23_7 =  1.5E-07                                  ! [atm] type: V, ref: 3088

! species:  saccharin
! formula:  C_7H_5NO_3S
! trivial:  
! casrn:    81-07-2
! inchikey: CVHZOJJKTDOEJC-UHFFFAOYSA-N
Hvpx______81_07_2 =  6.6E-05                                  ! [atm] type: Q, ref: 3088

! species:  acibenzolar-S-methyl
! formula:  C_8H_6N_2OS_2
! trivial:  
! casrn:    135158-54-2
! inchikey: UELITFHSCLAHKR-UHFFFAOYSA-N
Hvpx__135158_54_2 =  6.6E-03                                  ! [atm] type: V, ref: 3586
Hvpx__135158_54_2 =  6.6E-03                                  ! [atm] type: V, ref: 3088
Hvpx__135158_54_2 =  3.5E-07                                  ! [atm] type: Q, ref: 3586
Hvpx__135158_54_2 =  7.1E-03                                  ! [atm] type: ?, ref: 3549

! species:  quinomethionate
! formula:  C_8H_6N_2OS_2
! trivial:  
! casrn:    2439-01-2
! inchikey: FBQQHUGEACOBDN-UHFFFAOYSA-N
Hvpx____2439_01_2 =  3.4E-03                                  ! [atm] type: V, ref: 3088
Hvpx____2439_01_2 =  3.3E-03                                  ! [atm] type: ?, ref: 3087

! species:  nifurthiazole
! formula:  C_8H_6N_4O_4S
! trivial:  
! casrn:    3570-75-0
! inchikey: DUWYZHLZDVCZIO-UHFFFAOYSA-N
Hvpx____3570_75_0 =  4.2E-13                                  ! [atm] type: Q, ref: 3088

! species:  4-methylbenzenesulfonyl isocyanate
! formula:  C_8H_7NO_3S
! trivial:  
! casrn:    4083-64-1
! inchikey: VLJQDHDVZJXNQL-UHFFFAOYSA-N
Hvpx____4083_64_1 =  3.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____4083_64_1 =  1.7E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____4083_64_1 =  8.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____4083_64_1 =  1.4E-05                                  ! [atm] type: Q, ref: 2995

! species:  tinidazole
! formula:  C_8H_{13}N_3O_4S
! trivial:  
! casrn:    19387-91-8
! inchikey: HJLSLZFTEKNLFI-UHFFFAOYSA-N
Hvpx___19387_91_8 =  2.9E-06                                  ! [atm] type: Q, ref: 3088

! species:  metribuzin
! formula:  C_8H_{14}N_4OS
! trivial:  
! casrn:    21087-64-9
! inchikey: FOXFZRUHNHCZPX-UHFFFAOYSA-N
Hvpx___21087_64_9 =  6.6E-06                                  ! [atm] type: V, ref: 3088
Hvpx___21087_64_9 =  1.1E-05                                  ! [atm] type: ?, ref: 3549

! species:  tricyclazole
! formula:  C_9H_7N_3S
! trivial:  
! casrn:    41814-78-2
! inchikey: DQJCHOQLCLEDLL-UHFFFAOYSA-N
Hvpx___41814_78_2 =  1.7E-06                                  ! [atm] type: V, ref: 3586
Hvpx___41814_78_2 =  1.7E-06                                  ! [atm] type: V, ref: 2614
Hvpx___41814_78_2 =  1.0E-06                                  ! [atm] type: Q, ref: 3586

! species:  benzthiazuron
! formula:  C_9H_9N_3OS
! trivial:  
! casrn:    1929-88-0
! inchikey: DTCJYIIKPVRVDD-UHFFFAOYSA-N
Hvpx____1929_88_0 =  2.8E-07                                  ! [atm] type: ?, ref: 3766

! species:  thidiazuron
! formula:  C_9H_8N_4OS
! trivial:  
! casrn:    51707-55-2
! inchikey: HFCYZXMHUIHAQI-UHFFFAOYSA-N
Hvpx___51707_55_2 =  1.8E-08                                  ! [atm] type: V, ref: 3088

! species:  sulfathiazole
! formula:  C_9H_9N_3O_2S_2
! trivial:  
! casrn:    72-14-0
! inchikey: JNMRHUJNCSQMMB-UHFFFAOYSA-N
Hvpx______72_14_0 =  3.2E-09                                  ! [atm] type: Q, ref: 3088

! species:  sulfamethizole
! formula:  C_9H_{10}N_4O_2S_2
! trivial:  
! casrn:    144-82-1
! inchikey: VACCAVUAMIDAGB-UHFFFAOYSA-N
Hvpx_____144_82_1 =  1.4E-09                                  ! [atm] type: Q, ref: 3088

! species:  ethiozin
! formula:  C_9H_{16}N_4OS
! trivial:  
! casrn:    64529-56-2
! inchikey: ADZSGNDOZREKJK-UHFFFAOYSA-N
Hvpx___64529_56_2 =  2.8E-03                                  ! [atm] type: ?, ref: 3087

! species:  tebuthiuron
! formula:  C_9H_{16}N_4OS
! trivial:  
! casrn:    34014-18-1
! inchikey: HBPDKDSFLXWOAE-UHFFFAOYSA-N
Hvpx___34014_18_1 =  8.0E-06                                  ! [atm] type: Q, ref: 3730
Hvpx___34014_18_1 =  1.7E-05                                  ! [atm] type: Q, ref: 3586
Hvpx___34014_18_1 =  6.6E-06                                  ! [atm] type: ?, ref: 3586

! species:  molinate
! formula:  C_9H_{17}NOS
! trivial:  
! casrn:    2212-67-1
! inchikey: DEDOPGXGGQYYMW-UHFFFAOYSA-N
Hvpx____2212_67_1 =  7.1E-02                                  ! [atm] type: M, ref: 2538
Hvpx____2212_67_1 =  2.5E-01                                  ! [atm] type: M, ref: 1142
Hvpx____2212_67_1 =  3.2E-01 * EXP(  -7300.*(1./T-1./298.15)) ! [atm] type: M, ref: 1142
Hvpx____2212_67_1 =  7.9E-02                                  ! [atm] type: V, ref: 2614
Hvpx____2212_67_1 =  5.2E-02                                  ! [atm] type: V, ref: 1142
Hvpx____2212_67_1 =  5.3E-02                                  ! [atm] type: V, ref: 3090
Hvpx____2212_67_1 =  7.2E-02                                  ! [atm] type: C, ref: 3073
Hvpx____2212_67_1 =  7.4E-02                                  ! [atm] type: Q, ref: 2521
Hvpx____2212_67_1 =  2.4E-01                                  ! [atm] type: Q, ref: 2530

! species:  thiofanox
! formula:  C_9H_{18}N_2O_2S
! trivial:  
! casrn:    39196-18-4
! inchikey: FZSVSABTBYGOQH-UHFFFAOYSA-N
Hvpx___39196_18_4 =  5.2E-04                                  ! [atm] type: V, ref: 3586
Hvpx___39196_18_4 =  1.6E-04                                  ! [atm] type: Q, ref: 3586

! species:  amidosulfuron
! formula:  C_9H_{15}N_5O_7S_2
! trivial:  
! casrn:    120923-37-7
! inchikey: CTTHWASMBLQOFR-UHFFFAOYSA-N
Hvpx__120923_37_7 =  8.5E-07                                  ! [atm] type: ?, ref: 3549
Hvpx__120923_37_7 =  2.9E-04                                  ! [atm] type: ?, ref: 3549
Hvpx__120923_37_7 =  3.7E-06                                  ! [atm] type: ?, ref: 3549

! species:  S-ethyl dipropylthiocarbamate
! formula:  C_9H_{19}NOS
! trivial:  eptam; EPTC
! casrn:    759-94-4
! inchikey: GUVLYNGULCJVDO-UHFFFAOYSA-N
Hvpx_____759_94_4 =  9.8E-01 * EXP(  -9100.*(1./T-1./298.15)) ! [atm] type: M, ref: 2815
Hvpx_____759_94_4 =  1.4E+01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2241
Hvpx_____759_94_4 =  8.9E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____759_94_4 =  5.6E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____759_94_4 =  1.3E+00                                  ! [atm] type: V, ref: 2241
Hvpx_____759_94_4 =  5.6E-01                                  ! [atm] type: V, ref: 1157
Hvpx_____759_94_4 =  7.4E-01                                  ! [atm] type: V, ref: 2968
Hvpx_____759_94_4 =  5.4E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx_____759_94_4 =  5.0E+01                                  ! [atm] type: Q, ref: 3729
Hvpx_____759_94_4 =  6.6E-01                                  ! [atm] type: Q, ref: 2521
Hvpx_____759_94_4 =  4.7E-01                                  ! [atm] type: Q, ref: 2530

! species:  thiabendazole
! formula:  C_{10}H_7N_3S
! trivial:  
! casrn:    148-79-8
! inchikey: WJCNZQLZVWNLKY-UHFFFAOYSA-N
Hvpx_____148_79_8 =  1.2E-06                                  ! [atm] type: V, ref: 3586
Hvpx_____148_79_8 =  1.2E-06                                  ! [atm] type: V, ref: 3088
Hvpx_____148_79_8 =  1.2E-06                                  ! [atm] type: V, ref: 2614
Hvpx_____148_79_8 =  4.1E-06                                  ! [atm] type: Q, ref: 3586
Hvpx_____148_79_8 =  2.0E-06                                  ! [atm] type: ?, ref: 3549

! species:  benzo[$b$]thiophene-4-ol, methylcarbamate
! formula:  C_{10}H_9NO_2S
! trivial:  mobam
! casrn:    1079-33-0
! inchikey: BOTUVXISJHKZKJ-UHFFFAOYSA-N
Hvpx____1079_33_0 =  9.4E-05                                  ! [atm] type: Q, ref: 3088

! species:  sulfamethoxazole
! formula:  C_{10}H_{11}N_3O_3S
! trivial:  
! casrn:    723-46-6
! inchikey: JLKIGFTWXXRPMT-UHFFFAOYSA-N
Hvpx_____723_46_6 =  3.5E-08                                  ! [atm] type: Q, ref: 3088

! species:  bentazone
! formula:  C_{10}H_{12}N_2O_3S
! trivial:  
! casrn:    25057-89-0
! inchikey: ZOMSMJKLGFBRBS-UHFFFAOYSA-N
Hvpx___25057_89_0 =  1.2E-04                                  ! [atm] type: V, ref: 3088
Hvpx___25057_89_0 =  4.1E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx___25057_89_0 =  1.5E-03                                  ! [atm] type: Q, ref: 3729
Hvpx___25057_89_0 =  3.9E-05                                  ! [atm] type: ?, ref: 3549
Hvpx___25057_89_0 =  1.2E-06                                  ! [atm] type: ?, ref: 3549

! species:  buthidazole
! formula:  C_{10}H_{16}N_4O_2S
! trivial:  
! casrn:    55511-98-3
! inchikey: SWMGXKSQWDSBKV-UHFFFAOYSA-N
Hvpx___55511_98_3 =  1.1E-07                                  ! [atm] type: ?, ref: 3087

! species:  thiodicarb
! formula:  C_{10}H_{18}N_4O_4S_3
! trivial:  
! casrn:    59669-26-0
! inchikey: XDOTVMNBCQVZKG-UHFFFAOYSA-N
Hvpx___59669_26_0 =  5.0E-02                                  ! [atm] type: V, ref: 3088
Hvpx___59669_26_0 =  2.4E-02                                  ! [atm] type: V, ref: 2614

! species:  pebulate
! formula:  C_{10}H_{21}NOS
! trivial:  
! casrn:    1114-71-2
! inchikey: SGEJQUSYQTVSIU-UHFFFAOYSA-N
Hvpx____1114_71_2 =  1.3E+01                                  ! [atm] type: V, ref: 3088
Hvpx____1114_71_2 =  1.4E+00                                  ! [atm] type: V, ref: 2614
Hvpx____1114_71_2 =  6.4E+00                                  ! [atm] type: V, ref: 1157
Hvpx____1114_71_2 =  6.5E+02                                  ! [atm] type: X, ref: barcelo97
Hvpx____1114_71_2 =  8.2E+01                                  ! [atm] type: Q, ref: 3729
Hvpx____1114_71_2 =  8.5E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____1114_71_2 =  6.1E-01                                  ! [atm] type: Q, ref: 2530
Hvpx____1114_71_2 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  vernolate
! formula:  C_{10}H_{21}NOS
! trivial:  
! casrn:    1929-77-7
! inchikey: OKUGPJPKMAEJOE-UHFFFAOYSA-N
Hvpx____1929_77_7 =  1.7E+00                                  ! [atm] type: V, ref: 3088
Hvpx____1929_77_7 =  1.1E+00                                  ! [atm] type: V, ref: 2614
Hvpx____1929_77_7 =  1.1E+00                                  ! [atm] type: V, ref: 1157
Hvpx____1929_77_7 =  1.1E+02                                  ! [atm] type: X, ref: barcelo97
Hvpx____1929_77_7 =  1.9E+02                                  ! [atm] type: Q, ref: 3729
Hvpx____1929_77_7 =  8.3E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____1929_77_7 =  6.1E-01                                  ! [atm] type: Q, ref: 2530

! species:  biotin
! formula:  C_{10}H_{16}N_2O_3S
! trivial:  
! casrn:    58-85-5
! inchikey: YBJHBAHKTGYVGT-ZKWXMUAHSA-N
Hvpx______58_85_5 =  9.8E-04                                  ! [atm] type: Q, ref: 3627

! species:  methabenzthiazuron
! formula:  C_{10}H_{11}N_3OS
! trivial:  
! casrn:    18691-97-9
! inchikey: RRVIAQKBTUQODI-UHFFFAOYSA-N
Hvpx___18691_97_9 =  3.1E-05                                  ! [atm] type: V, ref: 3586
Hvpx___18691_97_9 =  8.3E-06                                  ! [atm] type: Q, ref: 3586

! species:  sulfisoxazole
! formula:  C_{11}H_{13}N_3O_3S
! trivial:  
! casrn:    127-69-5
! inchikey: NHUHCSRWZMLRLA-UHFFFAOYSA-N
Hvpx_____127_69_5 =  8.9E-08                                  ! [atm] type: Q, ref: 3088

! species:  ethiofencarb
! formula:  C_{11}H_{15}NO_2S
! trivial:  
! casrn:    29973-13-5
! inchikey: HEZNVIYQEUHLNI-UHFFFAOYSA-N
Hvpx___29973_13_5 =  6.4E-05                                  ! [atm] type: V, ref: 3586
Hvpx___29973_13_5 =  6.6E-05                                  ! [atm] type: V, ref: 3088
Hvpx___29973_13_5 =  7.1E-04                                  ! [atm] type: Q, ref: 3586

! species:  methiocarb
! formula:  C_{11}H_{15}NO_2S
! trivial:  
! casrn:    2032-65-7
! inchikey: YFBPRJGDJKVWAH-UHFFFAOYSA-N
Hvpx____2032_65_7 =  6.6E-02                                  ! [atm] type: V, ref: 2614
Hvpx____2032_65_7 =  6.5E-05                                  ! [atm] type: X, ref: macbean2012

! species:  cycloate
! formula:  C_{11}H_{21}NOS
! trivial:  
! casrn:    1134-23-2
! inchikey: DFCAFRGABIXSDS-UHFFFAOYSA-N
Hvpx____1134_23_2 =  2.9E-01                                  ! [atm] type: V, ref: 3088
Hvpx____1134_23_2 =  1.5E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____1134_23_2 =  1.7E-01                                  ! [atm] type: Q, ref: 2530

! species:  methoprotryn
! formula:  C_{11}H_{21}N_5OS
! trivial:  
! casrn:    841-06-5
! inchikey: DDUIUBPJPOKOMV-UHFFFAOYSA-N
Hvpx_____841_06_5 =  1.8E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____841_06_5 =  3.6E-06                                  ! [atm] type: Q, ref: 2521
Hvpx_____841_06_5 =  2.7E-06                                  ! [atm] type: Q, ref: 2526
Hvpx_____841_06_5 =  1.8E-05                                  ! [atm] type: ?, ref: 3087

! species:  butylate
! formula:  C_{11}H_{23}NOS
! trivial:  
! casrn:    2008-41-5
! inchikey: BMTAFVWTTFSTOG-UHFFFAOYSA-N
Hvpx____2008_41_5 =  4.7E+00                                  ! [atm] type: V, ref: 3088
Hvpx____2008_41_5 =  3.1E-01                                  ! [atm] type: V, ref: 1157
Hvpx____2008_41_5 =  3.1E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx____2008_41_5 =  2.6E+00                                  ! [atm] type: Q, ref: 3729
Hvpx____2008_41_5 =  9.4E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____2008_41_5 =  9.1E-01                                  ! [atm] type: Q, ref: 2530

! species:  2-octyl-3(2H)-isothiazolone
! formula:  C_{11}H_{19}NOS
! trivial:  
! casrn:    26530-20-1
! inchikey: JPMIIZHYYWMHDT-UHFFFAOYSA-N
Hvpx___26530_20_1 =  1.1E-03                                  ! [atm] type: V, ref: 3586
Hvpx___26530_20_1 =  3.1E-01                                  ! [atm] type: Q, ref: 3586

! species:  metsulfovax
! formula:  C_{12}H_{12}N_2OS
! trivial:  
! casrn:    21452-18-6
! inchikey: UDSJPFPDKCMYBD-UHFFFAOYSA-N
Hvpx___21452_18_6 =  5.9E-07                                  ! [atm] type: ?, ref: 3766

! species:  carboxin
! formula:  C_{12}H_{13}NO_2S
! trivial:  
! casrn:    5234-68-4
! inchikey: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
Hvpx____5234_68_4 =  1.8E-05                                  ! [atm] type: V, ref: 3586
Hvpx____5234_68_4 =  1.8E-05                                  ! [atm] type: V, ref: 3088
Hvpx____5234_68_4 =  8.6E-06                                  ! [atm] type: V, ref: 2614
Hvpx____5234_68_4 =  7.2E-04                                  ! [atm] type: Q, ref: 3586
Hvpx____5234_68_4 =  1.7E-05                                  ! [atm] type: ?, ref: 3549

! species:  oxycarboxin
! formula:  C_{12}H_{13}NO_4S
! trivial:  
! casrn:    5259-88-1
! inchikey: AMEKQAFGQBKLKX-UHFFFAOYSA-N
Hvpx____5259_88_1 =  5.9E-07                                  ! [atm] type: V, ref: 3586
Hvpx____5259_88_1 =  6.1E-07                                  ! [atm] type: V, ref: 3088
Hvpx____5259_88_1 =  1.9E-04                                  ! [atm] type: V, ref: 2614
Hvpx____5259_88_1 =  1.0E-06                                  ! [atm] type: Q, ref: 3586

! species:  thifensulfuron-methyl
! formula:  C_{12}H_{13}N_5O_6S_2
! trivial:  
! casrn:    79277-27-3
! inchikey: AHTPATJNIAFOLR-UHFFFAOYSA-N
Hvpx___79277_27_3 =  1.6E-09                                  ! [atm] type: V, ref: 3088
Hvpx___79277_27_3 =  5.2E-15                                  ! [atm] type: ?, ref: 3549
Hvpx___79277_27_3 =  1.5E-13                                  ! [atm] type: ?, ref: 3549

! species:  sulfamethazine
! formula:  C_{12}H_{14}N_4O_2S
! trivial:  
! casrn:    57-68-1
! inchikey: ASWVTGNCAZCNNR-UHFFFAOYSA-N
Hvpx______57_68_1 =  1.7E-08                                  ! [atm] type: Q, ref: 3088

! species:  thiophanate-methyl
! formula:  C_{12}H_{14}N_4O_4S_2
! trivial:  
! casrn:    23564-05-8
! inchikey: QGHREAKMXXNCOA-UHFFFAOYSA-N
Hvpx___23564_05_8 =  6.6E-05                                  ! [atm] type: V, ref: 3088
Hvpx___23564_05_8 =  6.9E-04                                  ! [atm] type: V, ref: 2614
Hvpx___23564_05_8 =  9.1E-05                                  ! [atm] type: ?, ref: 3549

! species:  4,4'-oxydi(benzenesulphonohydrazide)
! formula:  C_{12}H_{14}N_4O_5S_2
! trivial:  
! casrn:    80-51-3
! inchikey: NBOCQTNZUPTTEI-UHFFFAOYSA-N
Hvpx______80_51_3 =  7.0E-13                                  ! [atm] type: Q, ref: 3088

! species:  albendazole
! formula:  C_{12}H_{15}N_3O_2S
! trivial:  
! casrn:    54965-21-8
! inchikey: HXHWSAZORRCQMX-UHFFFAOYSA-N
Hvpx___54965_21_8 =  4.2E-09                                  ! [atm] type: Q, ref: 3088

! species:  oryzalin
! formula:  C_{12}H_{18}N_4O_6S
! trivial:  
! casrn:    19044-88-3
! inchikey: UNAHYJYOSSSJHH-UHFFFAOYSA-N
Hvpx___19044_88_3 =  1.1E-04                                  ! [atm] type: V, ref: 3088
Hvpx___19044_88_3 =  1.0E-04                                  ! [atm] type: V, ref: 2614
Hvpx___19044_88_3 =  1.5E-08                                  ! [atm] type: ?, ref: 3549
Hvpx___19044_88_3 =  2.2E-09                                  ! [atm] type: ?, ref: 3549
Hvpx___19044_88_3 =  1.8E-08                                  ! [atm] type: ?, ref: 3549

! species:  STK366145
! formula:  C_{12}H_{19}N_3O_3S
! trivial:  N-(2-ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide
! casrn:    56046-62-9
! inchikey: XWQURWIJAIIPQP-UHFFFAOYSA-N
Hvpx___56046_62_9 =  5.5E-06                                  ! [atm] type: V, ref: 3088

! species:  isomethiozin
! formula:  C_{12}H_{20}N_4OS
! trivial:  
! casrn:    57052-04-7
! inchikey: MZTLOILRKLUURT-UHFFFAOYSA-N
Hvpx___57052_04_7 =  6.9E-04                                  ! [atm] type: ?, ref: 3087

! species:  thiencarbazone-methyl
! formula:  C_{12}H_{14}N_4O_7S_2
! trivial:  
! casrn:    317815-83-1
! inchikey: XSKZXGDFSCCXQX-UHFFFAOYSA-N
Hvpx__317815_83_1 =  2.6E-13                                  ! [atm] type: ?, ref: 3549
Hvpx__317815_83_1 =  1.1E-13                                  ! [atm] type: ?, ref: 3549
Hvpx__317815_83_1 =  4.3E-14                                  ! [atm] type: ?, ref: 3549
Hvpx__317815_83_1 =  4.5E-14                                  ! [atm] type: ?, ref: 3549

! species:  2,8-dinitrodibenzothiophene
! formula:  C_{12}H_6N_2O_4S
! trivial:  
! casrn:    109041-38-5
! inchikey: VMQHOWOVMXIROE-UHFFFAOYSA-N
Hvpx__109041_38_5 =  1.4E-05                                  ! [atm] type: Q, ref: 3400

! species:  2-nitrodibenzothiophene
! formula:  C_{12}H_7NO_2S
! trivial:  
! casrn:    6639-36-7
! inchikey: GXLYVLHWXVRVKI-UHFFFAOYSA-N
Hvpx____6639_36_7 =  4.7E-03                                  ! [atm] type: Q, ref: 3400

! species:  azimsulfuron
! formula:  C_{13}H_{16}N_{10}O_5S
! trivial:  
! casrn:    120162-55-2
! inchikey: MAHPNPYYQAIOJN-UHFFFAOYSA-N
Hvpx__120162_55_2 =  2.7E-10                                  ! [atm] type: ?, ref: 3549
Hvpx__120162_55_2 =  4.4E-09                                  ! [atm] type: ?, ref: 3549
Hvpx__120162_55_2 =  4.9E-11                                  ! [atm] type: ?, ref: 3549

! species:  fenothiocarb
! formula:  C_{13}H_{19}NO_2S
! trivial:  
! casrn:    62850-32-2
! inchikey: HMIBKHHNXANVHR-UHFFFAOYSA-N
Hvpx___62850_32_2 =  1.0E-03                                  ! [atm] type: ?, ref: 3766

! species:  isobornyl thiocyanoacetate
! formula:  C_{13}H_{19}NO_2S
! trivial:  
! casrn:    115-31-1
! inchikey: IXEVGHXRXDBAOB-RUETXSTFSA-N
Hvpx_____115_31_1 =  1.4E-02                                  ! [atm] type: Q, ref: 3088

! species:  nitralin
! formula:  C_{13}H_{19}N_3O_6S
! trivial:  
! casrn:    4726-14-1
! inchikey: UMKANAFDOQQUKE-UHFFFAOYSA-N
Hvpx____4726_14_1 =  3.9E-04                                  ! [atm] type: V, ref: 3088
Hvpx____4726_14_1 =  7.5E+01                                  ! [atm] type: V, ref: 2614
Hvpx____4726_14_1 =  7.5E+01                                  ! [atm] type: V, ref: 1157

! species:  bupirimate
! formula:  C_{13}H_{24}N_4O_3S
! trivial:  
! casrn:    41483-43-6
! inchikey: DSKJPMWIHSOYEA-UHFFFAOYSA-N
Hvpx___41483_43_6 =  7.9E-04                                  ! [atm] type: V, ref: 3586
Hvpx___41483_43_6 =  5.3E-03                                  ! [atm] type: V, ref: 2614
Hvpx___41483_43_6 =  3.7E-04                                  ! [atm] type: Q, ref: 3586
Hvpx___41483_43_6 =  7.4E-01                                  ! [atm] type: ?, ref: 3549

! species:  timolol
! formula:  C_{13}H_{24}N_4O_3S
! trivial:  
! casrn:    26839-75-8
! inchikey: BLJRIMJGRPQVNF-JTQLQIEISA-N
Hvpx___26839_75_8 =  2.4E-12                                  ! [atm] type: Q, ref: 3088

! species:  triazamate
! formula:  C_{13}H_{22}N_4O_3S
! trivial:  
! casrn:    112143-82-5
! inchikey: NKNFWVNSBIXGLL-UHFFFAOYSA-N
Hvpx__112143_82_5 =  6.4E-06                                  ! [atm] type: V, ref: 3586
Hvpx__112143_82_5 =  4.4E-06                                  ! [atm] type: Q, ref: 3586

! species:  dithianone
! formula:  C_{14}H_4N_2O_2S_2
! trivial:  
! casrn:    3347-22-6
! inchikey: PYZSVQVRHDXQSL-UHFFFAOYSA-N
Hvpx____3347_22_6 =  3.2E-06                                  ! [atm] type: V, ref: 3088
Hvpx____3347_22_6 =  7.4E-08                                  ! [atm] type: ?, ref: 3549

! species:  N-(cyclohexylthio)phthalimide
! formula:  C_{14}H_{15}NO_2S
! trivial:  
! casrn:    17796-82-6
! inchikey: UEZWYKZHXASYJN-UHFFFAOYSA-N
Hvpx___17796_82_6 =  3.5E-03                                  ! [atm] type: Q, ref: 3088

! species:  metsulfuron-methyl
! formula:  C_{14}H_{15}N_5O_6S
! trivial:  
! casrn:    74223-64-6
! inchikey: RSMUVYRMZCOLBH-UHFFFAOYSA-N
Hvpx___74223_64_6 =  7.3E-12                                  ! [atm] type: V, ref: 3088
Hvpx___74223_64_6 =  2.6E-09                                  ! [atm] type: ?, ref: 3549

! species:  rimsulfuron
! formula:  C_{14}H_{17}N_5O_7S_2
! trivial:  
! casrn:    122931-48-0
! inchikey: MEFOUWRMVYJCQC-UHFFFAOYSA-N
Hvpx__122931_48_0 =  3.5E-05                                  ! [atm] type: V, ref: 3088
Hvpx__122931_48_0 =  6.0E-08                                  ! [atm] type: ?, ref: 3549
Hvpx__122931_48_0 =  2.5E-06                                  ! [atm] type: ?, ref: 3549
Hvpx__122931_48_0 =  4.5E-08                                  ! [atm] type: ?, ref: 3549

! species:  thiophanate
! formula:  C_{14}H_{18}N_4O_4S_2
! trivial:  
! casrn:    23564-06-9
! inchikey: YFNCATAIYKQPOO-UHFFFAOYSA-N
Hvpx___23564_06_9 =  2.9E-08                                  ! [atm] type: Q, ref: 3088

! species:  sumatriptan
! formula:  C_{14}H_{21}N_3O_2S
! trivial:  
! casrn:    103628-46-2
! inchikey: KQKPFRSPSRPDEB-UHFFFAOYSA-N
Hvpx__103628_46_2 =  2.5E-09                                  ! [atm] type: Q, ref: 3088

! species:  mesotrione
! formula:  C_{14}H_{13}NO_7S
! trivial:  
! casrn:    104206-82-8
! inchikey: KPUREKXXPHOJQT-UHFFFAOYSA-N
Hvpx__104206_82_8 =  2.8E-07                                  ! [atm] type: ?, ref: 3549

! species:  prosulfocarb
! formula:  C_{14}H_{21}NOS
! trivial:  
! casrn:    52888-80-9
! inchikey: NQLVQOSNDJXLKG-UHFFFAOYSA-N
Hvpx___52888_80_9 =  7.2E-04                                  ! [atm] type: V, ref: 3586
Hvpx___52888_80_9 =  5.7E-03                                  ! [atm] type: Q, ref: 3586
Hvpx___52888_80_9 =  8.3E-03                                  ! [atm] type: ?, ref: 3549

! species:  pyriftalid
! formula:  C_{15}H_{14}N_2O_4S
! trivial:  
! casrn:    135186-78-6
! inchikey: RRKHIAYNPVQKEF-UHFFFAOYSA-N
Hvpx__135186_78_6 =  2.1E-06                                  ! [atm] type: ?, ref: 3766

! species:  nicosulfuron
! formula:  C_{15}H_{18}N_6O_6S
! trivial:  
! casrn:    111991-09-4
! inchikey: RTCOGUMHFFWOJV-UHFFFAOYSA-N
Hvpx__111991_09_4 =  8.1E-12                                  ! [atm] type: ?, ref: 3549

! species:  sulfometuron methyl
! formula:  C_{15}H_{16}N_4O_5S
! trivial:  
! casrn:    74222-97-2
! inchikey: ZDXMLEQEMNLCQG-UHFFFAOYSA-N
Hvpx___74222_97_2 =  6.6E-14                                  ! [atm] type: C, ref: 3073
Hvpx___74222_97_2 =  2.9E-09                                  ! [atm] type: Q, ref: 3088

! species:  tribenuron-methyl
! formula:  C_{15}H_{17}N_5O_6S
! trivial:  
! casrn:    101200-48-0
! inchikey: VLCQZHSMCYCDJL-UHFFFAOYSA-N
Hvpx__101200_48_0 =  5.6E-09                                  ! [atm] type: X, ref: macbean2012
Hvpx__101200_48_0 =  9.0E-09                                  ! [atm] type: Q, ref: 3730
Hvpx__101200_48_0 =  6.5E-10                                  ! [atm] type: Q, ref: 3586
Hvpx__101200_48_0 =  5.6E-09                                  ! [atm] type: ?, ref: 3586
Hvpx__101200_48_0 =  5.2E-10                                  ! [atm] type: ?, ref: 3549
Hvpx__101200_48_0 =  7.3E-11                                  ! [atm] type: ?, ref: 3549

! species:  ethametsulfuron-methyl
! formula:  C_{15}H_{18}N_6O_6S
! trivial:  
! casrn:    97780-06-8
! inchikey: ZINJLDJMHCUBIP-UHFFFAOYSA-N
Hvpx___97780_06_8 =  2.6E-10                                  ! [atm] type: ?, ref: 3766

! species:  propoxycarbazone
! formula:  C_{15}H_{18}N_4O_7S
! trivial:  
! casrn:    145026-81-9
! inchikey: JTHMVYBOQLDDIY-UHFFFAOYSA-N
Hvpx__145026_81_9 =  7.7E-13                                  ! [atm] type: Q, ref: 3088

! species:  dimepiperate
! formula:  C_{15}H_{21}NOS
! trivial:  
! casrn:    61432-55-1
! inchikey: BWUPSGJXXPATLU-UHFFFAOYSA-N
Hvpx___61432_55_1 =  2.0E-03                                  ! [atm] type: ?, ref: 3766

! species:  esprocarb
! formula:  C_{15}H_{23}NOS
! trivial:  
! casrn:    85785-20-2
! inchikey: BXEHUCNTIZGSOJ-UHFFFAOYSA-N
Hvpx___85785_20_2 =  3.0E-02                                  ! [atm] type: V, ref: 3586
Hvpx___85785_20_2 =  3.7E-02                                  ! [atm] type: Q, ref: 3586

! species:  valdecoxib
! formula:  C_{16}H_{14}N_2O_3S
! trivial:  
! casrn:    181695-72-7
! inchikey: LNPDTQAFDNKSHK-UHFFFAOYSA-N
Hvpx__181695_72_7 =  1.2E-06                                  ! [atm] type: Q, ref: 3088

! species:  topramezone
! formula:  C_{16}H_{17}N_3O_5S
! trivial:  
! casrn:    210631-68-8
! inchikey: BPPVUXSMLBXYGG-UHFFFAOYSA-N
Hvpx__210631_68_8 =  5.2E-13                                  ! [atm] type: Q, ref: 3088

! species:  sulfosulfuron
! formula:  C_{16}H_{18}N_6O_7S_2
! trivial:  
! casrn:    141776-32-1
! inchikey: RBSXHDIPCIWOMG-UHFFFAOYSA-N
Hvpx__141776_32_1 =  1.3E-06                                  ! [atm] type: V, ref: 3088
Hvpx__141776_32_1 =  1.6E-08                                  ! [atm] type: ?, ref: 3549
Hvpx__141776_32_1 =  4.5E-07                                  ! [atm] type: ?, ref: 3549
Hvpx__141776_32_1 =  4.8E-09                                  ! [atm] type: ?, ref: 3549

! species:  orthosulfamuron
! formula:  C_{16}H_{20}N_6O_6S
! trivial:  
! casrn:    213464-77-8
! inchikey: UCDPMNSCCRBWIC-UHFFFAOYSA-N
Hvpx__213464_77_8 =  4.1E-05                                  ! [atm] type: V, ref: 3088

! species:  cafenstrole
! formula:  C_{16}H_{22}N_4O_3S
! trivial:  
! casrn:    125306-83-4
! inchikey: HFEJHAAIJZXXRE-UHFFFAOYSA-N
Hvpx__125306_83_4 =  6.8E-07                                  ! [atm] type: ?, ref: 3766

! species:  buprofezin
! formula:  C_{16}H_{23}N_3OS
! trivial:  
! casrn:    69327-76-0
! inchikey: PRLVTUNWOQKEAI-UHFFFAOYSA-N
Hvpx___69327_76_0 =  2.3E-01                                  ! [atm] type: V, ref: 3586
Hvpx___69327_76_0 =  2.3E-01                                  ! [atm] type: V, ref: 3088
Hvpx___69327_76_0 =  2.2E-03                                  ! [atm] type: Q, ref: 3586

! species:  bensulfuron methyl
! formula:  C_{16}H_{18}N_4O_7S
! trivial:  
! casrn:    83055-99-6
! inchikey: XMQFTWRPUQYINF-UHFFFAOYSA-N
Hvpx___83055_99_6 =  7.7E-12                                  ! [atm] type: C, ref: 3073
Hvpx___83055_99_6 =  2.2E-13                                  ! [atm] type: ?, ref: 3549
Hvpx___83055_99_6 =  1.1E-11                                  ! [atm] type: ?, ref: 3549
Hvpx___83055_99_6 =  3.3E-10                                  ! [atm] type: ?, ref: 3549

! species:  mefenacet
! formula:  C_{16}H_{14}N_2O_2S
! trivial:  
! casrn:    73250-68-7
! inchikey: XIGAUIHYSDTJHW-UHFFFAOYSA-N
Hvpx___73250_68_7 =  2.6E-05                                  ! [atm] type: V, ref: 3586
Hvpx___73250_68_7 =  1.6E-05                                  ! [atm] type: Q, ref: 3586

! species:  alanycarb
! formula:  C_{17}H_{25}N_3O_4S_2
! trivial:  
! casrn:    83130-01-2
! inchikey: GMAUQNJOSOMMHI-JXAWBTAJSA-N
Hvpx___83130_01_2 =  5.1E-05                                  ! [atm] type: V, ref: 3586
Hvpx___83130_01_2 =  3.0E-06                                  ! [atm] type: Q, ref: 3586

! species:  fenamidone
! formula:  C_{17}H_{17}N_3OS
! trivial:  
! casrn:    161326-34-7
! inchikey: LMVPQMGRYSRMIW-KRWDZBQOSA-N
Hvpx__161326_34_7 =  6.3E-06                                  ! [atm] type: ?, ref: 3766

! species:  esomeprazole
! formula:  C_{17}H_{19}N_3O_3S
! trivial:  
! casrn:    119141-88-7
! inchikey: SUBDBMMJDZJVOS-UHFFFAOYSA-N
Hvpx__119141_88_7 =  1.7E-14                                  ! [atm] type: Q, ref: 3088

! species:  foramsulfuron
! formula:  C_{17}H_{20}N_6O_7S
! trivial:  
! casrn:    173159-57-4
! inchikey: PXDNXJSDGQBLKS-UHFFFAOYSA-N
Hvpx__173159_57_4 =  3.2E-12                                  ! [atm] type: V, ref: 3088
Hvpx__173159_57_4 =  3.2E-12                                  ! [atm] type: ?, ref: 3549

! species:  sethoxydim
! formula:  C_{17}H_{29}NO_3S
! trivial:  
! casrn:    74051-80-2
! inchikey: NMHGOXYVOKDNHF-UHFFFAOYSA-N
Hvpx___74051_80_2 =  1.2E-06                                  ! [atm] type: Q, ref: 3088

! species:  mesosulfuron-methyl
! formula:  C_{17}H_{21}N_5O_9S_2
! trivial:  
! casrn:    208465-21-8
! inchikey: NIFKBBMCXCMCAO-UHFFFAOYSA-N
Hvpx__208465_21_8 =  6.1E-12                                  ! [atm] type: V, ref: 3088
Hvpx__208465_21_8 =  6.3E-14                                  ! [atm] type: ?, ref: 3549
Hvpx__208465_21_8 =  2.0E-12                                  ! [atm] type: ?, ref: 3549
Hvpx__208465_21_8 =  1.3E-10                                  ! [atm] type: ?, ref: 3549

! species:  cycloxydim
! formula:  C_{17}H_{27}NO_3S
! trivial:  
! casrn:    101205-02-1
! inchikey: HAHCNFVGRVWFIP-VKAVYKQESA-N
Hvpx__101205_02_1 =  3.4E-05                                  ! [atm] type: ?, ref: 3549

! species:  fenpyrazamine
! formula:  C_{17}H_{21}N_3O_2S
! trivial:  
! casrn:    473798-59-3
! inchikey: UTOHZQYBSYOOGC-UHFFFAOYSA-N
Hvpx__473798_59_3 =  8.8E-05                                  ! [atm] type: ?, ref: 3549

! species:  cyprosulfamide
! formula:  C_{18}H_{18}N_2O_5S
! trivial:  
! casrn:    221667-31-8
! inchikey: OAWUUPVZMNKZRY-UHFFFAOYSA-N
Hvpx__221667_31_8 =  7.8E-08                                  ! [atm] type: ?, ref: 3549
Hvpx__221667_31_8 =  6.0E-04                                  ! [atm] type: ?, ref: 3549
Hvpx__221667_31_8 =  1.9E-06                                  ! [atm] type: ?, ref: 3549

! species:  rosiglitazone
! formula:  C_{18}H_{19}N_3O_3S
! trivial:  
! casrn:    122320-73-4
! inchikey: YASAKCUCGLMORW-UHFFFAOYSA-N
Hvpx__122320_73_4 =  9.4E-10                                  ! [atm] type: Q, ref: 3088

! species:  rabeprazole
! formula:  C_{18}H_{21}N_3O_3S
! trivial:  
! casrn:    117976-89-3
! inchikey: YREYEVIYCVEVJK-UHFFFAOYSA-N
Hvpx__117976_89_3 =  6.6E-13                                  ! [atm] type: Q, ref: 3088

! species:  pyributicarb
! formula:  C_{18}H_{22}N_2O_2S
! trivial:  
! casrn:    88678-67-5
! inchikey: VTRWMTJQBQJKQH-UHFFFAOYSA-N
Hvpx___88678_67_5 =  1.3E-02                                  ! [atm] type: ?, ref: 3766

! species:  furathiocarb
! formula:  C_{18}H_{26}N_2O_5S
! trivial:  
! casrn:    65907-30-4
! inchikey: HAWJXYBZNNRMNO-UHFFFAOYSA-N
Hvpx___65907_30_4 =  7.2E-05                                  ! [atm] type: V, ref: 3088

! species:  lincomycin
! formula:  C_{18}H_{34}N_2O_6S
! trivial:  
! casrn:    154-21-2
! inchikey: OJMMVQQUTAEWLP-UHFFFAOYSA-N
Hvpx_____154_21_2 =  1.7E-18                                  ! [atm] type: Q, ref: 3088

! species:  pioglitazone
! formula:  C_{19}H_{20}N_2O_3S
! trivial:  
! casrn:    111025-46-8
! inchikey: HYAFETHFCAUJAY-UHFFFAOYSA-N
Hvpx__111025_46_8 =  9.4E-08                                  ! [atm] type: Q, ref: 3088

! species:  isofetamid
! formula:  C_{20}H_{25}NO_3S
! trivial:  
! casrn:    875915-78-9
! inchikey: WMKZDPFZIZQROT-UHFFFAOYSA-N
Hvpx__875915_78_9 =  1.5E-05                                  ! [atm] type: ?, ref: 3766

! species:  tamsulosin
! formula:  C_{20}H_{28}N_2O_5S
! trivial:  
! casrn:    106133-20-4
! inchikey: DRHKJLXJIQTDTD-OAHLLOKOSA-N
Hvpx__106133_20_4 =  2.7E-10                                  ! [atm] type: Q, ref: 3088

! species:  carbosulfan
! formula:  C_{20}H_{32}N_2O_3S
! trivial:  
! casrn:    55285-14-8
! inchikey: JLQUFIHWVLZVTJ-UHFFFAOYSA-N
Hvpx___55285_14_8 =  2.8E-02                                  ! [atm] type: V, ref: 3586
Hvpx___55285_14_8 =  3.2E-01                                  ! [atm] type: Q, ref: 3586

! species:  sufentanil
! formula:  C_{22}H_{30}N_2O_2S
! trivial:  
! casrn:    56030-54-7
! inchikey: GGCSSNBKKAUURC-UHFFFAOYSA-N
Hvpx___56030_54_7 =  2.3E-10                                  ! [atm] type: Q, ref: 3088

! species:  sildenafil
! formula:  C_{22}H_{30}N_6O_4S
! trivial:  
! casrn:    139755-83-2
! inchikey: BNRNXUUZRGQAQC-UHFFFAOYSA-N
Hvpx__139755_83_2 =  4.0E-16                                  ! [atm] type: Q, ref: 3088

! species:  benfuracarb
! formula:  C_{20}H_{30}N_2O_5S
! trivial:  
! casrn:    82560-54-1
! inchikey: FYZBOYWSHKHDMT-UHFFFAOYSA-N
Hvpx___82560_54_1 =  1.1E-03                                  ! [atm] type: ?, ref: 3766

! species:  tirofiban
! formula:  C_{22}H_{36}N_2O_5S
! trivial:  
! casrn:    144494-65-5
! inchikey: COKMIXFXJJXBQG-NRFANRHFSA-N
Hvpx__144494_65_5 =  4.1E-10                                  ! [atm] type: Q, ref: 3088

! species:  vardenafil
! formula:  C_{23}H_{32}N_6O_4S
! trivial:  
! casrn:    224785-90-4
! inchikey: SECKRCOLJRRGGV-UHFFFAOYSA-N
Hvpx__224785_90_4 =  1.1E-16                                  ! [atm] type: Q, ref: 3088

! species:  taurocholic acid
! formula:  C_{26}H_{45}NO_7S
! trivial:  
! casrn:    81-24-3
! inchikey: WBWWGRHZICKQGZ-HZAMXZRMSA-N
Hvpx______81_24_3 =  2.9E-16                                  ! [atm] type: Q, ref: 3088

! species:  dalfopristin
! formula:  C_{34}H_{50}N_4O_9S
! trivial:  
! casrn:    112362-50-2
! inchikey: SUYRLXYYZQTJHF-FUODUHIRSA-N
Hvpx__112362_50_2 =  2.5E-25                                  ! [atm] type: Q, ref: 3088

! species:  C.I. acid green 3
! formula:  C_{37}H_{37}N_2O_6S_2
! trivial:  
! casrn:    4680-78-8
! inchikey: SRRJCDUOSQWHGS-UHFFFAOYSA-O
Hvpx____4680_78_8 =  2.7E-24                                  ! [atm] type: Q, ref: 3088

! species:  tinopal
! formula:  C_{40}H_{40}N_{12}O_8S_2
! trivial:  
! casrn:    24231-46-7
! inchikey: YGUMVDWOQQJBGA-VAWYXSNFSA-N
Hvpx___24231_46_7 =  4.6E-39                                  ! [atm] type: Q, ref: 2995
Hvpx___24231_46_7 =  4.0E-41                                  ! [atm] type: Q, ref: 2995
Hvpx___24231_46_7 =  1.3E-27                                  ! [atm] type: Q, ref: 2995
Hvpx___24231_46_7 =  2.5E-38                                  ! [atm] type: Q, ref: 2995

! species:  quinupristin
! formula:  C_{53}H_{67}N_9O_{10}S
! trivial:  
! casrn:    120138-50-3
! inchikey: WTHRRGMBUAHGNI-UHFFFAOYSA-N
Hvpx__120138_50_3 =  1.1E-23                                  ! [atm] type: Q, ref: 3088

! species:  3,3,4,4,4-pentafluorobutane-1-thiol
! formula:  C_4H_5F_5S
! trivial:  
! casrn:    68140-18-1
! inchikey: WEILNYJKAUGBAU-UHFFFAOYSA-N
Hvpx___68140_18_1 =  1.1E+04                                  ! [atm] type: Q, ref: 2995
Hvpx___68140_18_1 =  4.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___68140_18_1 =  3.7E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___68140_18_1 =  4.5E+04                                  ! [atm] type: Q, ref: 2995

! species:  3,3,4,4,5,5,6,6,6-nonafluoro-1-hexanethiol
! formula:  C_6H_5F_9S
! trivial:  
! casrn:    68140-20-5
! inchikey: GQJXVHYUQPXZOL-UHFFFAOYSA-N
Hvpx___68140_20_5 =  2.9E+05                                  ! [atm] type: Q, ref: 2995
Hvpx___68140_20_5 =  1.2E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___68140_20_5 =  1.7E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___68140_20_5 =  2.9E+05                                  ! [atm] type: Q, ref: 2995

! species:  3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-pentadecafluoro-1-decanethiol
! formula:  C_{10}H_7F_{15}S
! trivial:  
! casrn:    68140-21-6
! inchikey: ROKKEEDUUQVHFZ-UHFFFAOYSA-N
Hvpx___68140_21_6 =  5.6E+07                                  ! [atm] type: Q, ref: 2995
Hvpx___68140_21_6 =  8.3E+04                                  ! [atm] type: Q, ref: 2995
Hvpx___68140_21_6 =  6.3E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___68140_21_6 =  4.2E+07                                  ! [atm] type: Q, ref: 2995

! species:  3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane
! formula:  C_{12}H_{14}F_{12}S_2
! trivial:  
! casrn:    118400-71-8
! inchikey: CIZUOSOWGOENRE-UHFFFAOYSA-N
Hvpx__118400_71_8 =  4.4E+06                                  ! [atm] type: Q, ref: 2995
Hvpx__118400_71_8 =  6.0E+04                                  ! [atm] type: Q, ref: 2995
Hvpx__118400_71_8 =  2.9E+01                                  ! [atm] type: Q, ref: 2995
Hvpx__118400_71_8 =  1.6E+06                                  ! [atm] type: Q, ref: 2995

! species:  methanesulfonyl fluoride
! formula:  CH_3FO_2S
! trivial:  
! casrn:    558-25-8
! inchikey: KNWQLFOXPQZGPX-UHFFFAOYSA-N
Hvpx_____558_25_8 =  3.4E+00                                  ! [atm] type: ?, ref: 3766

! species:  perfluorobutane sulfonic acid
! formula:  C_4HF_9O_3S
! trivial:  PFBS
! casrn:    375-73-5
! inchikey: JGTNAGYHADQMCM-UHFFFAOYSA-N
Hvpx_____375_73_5 =  2.7E-01                                  ! [atm] type: E, ref: 2991

! species:  4-(pentafluorosulfanyl)phenol
! formula:  C_6H_5F_5OS
! trivial:  
! casrn:    774-94-7
! inchikey: XHJLGVIUMCBMHL-UHFFFAOYSA-N
Hvpx_____774_94_7 =  1.4E-02                                  ! [atm] type: ?, ref: 3766

! species:  1H,1H,2H,2H-perfluorohexane sulfonic acid
! formula:  C_6H_5F_9O_3S
! trivial:  4:2 FTS
! casrn:    757124-72-4
! inchikey: TXGIGTRUEITPSC-UHFFFAOYSA-N
Hvpx__757124_72_4 =  1.2E+02                                  ! [atm] type: M, ref: 3939

! species:  perfluorohexane sulfonic acid
! formula:  C_6HF_{13}O_3S
! trivial:  PFHxS
! casrn:    355-46-4
! inchikey: QZHDEAJFRJCDMF-UHFFFAOYSA-N
Hvpx_____355_46_4 =  1.1E+00                                  ! [atm] type: E, ref: 2991

! species:  1H,1H,2H,2H-perfluorooctane sulfonic acid
! formula:  C_8H_5F_{13}O_3S
! trivial:  6:2 FTS
! casrn:    27619-97-2
! inchikey: VIONGDJUYAYOPU-UHFFFAOYSA-N
Hvpx___27619_97_2 =  2.6E+02 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3939

! species:  perfluorooctane sulfonic acid
! formula:  C_8HF_{17}O_3S
! trivial:  PFOS
! casrn:    1763-23-1
! inchikey: YFSUTJLHUFNCNZ-UHFFFAOYSA-N
Hvpx____1763_23_1 =  6.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____1763_23_1 =  6.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1763_23_1 =  3.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1763_23_1 =  5.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1763_23_1 =  5.4E+00                                  ! [atm] type: Q, ref: 2992
Hvpx____1763_23_1 =  1.2E+02                                  ! [atm] type: Q, ref: 2992

! species:  heptadecafluorooctanesulphonyl fluoride
! formula:  C_8F_{18}O_2S
! trivial:  perfluorooctylsulfonyl fluoride
! casrn:    307-35-7
! inchikey: BHFJBHMTEDLICO-UHFFFAOYSA-N
Hvpx_____307_35_7 =  3.8E+06                                  ! [atm] type: Q, ref: 3088

! species:  1H,1H,2H,2H-perfluorodecane sulfonic acid
! formula:  C_{10}H_5F_{17}O_3S
! trivial:  8:2 FTS
! casrn:    39108-34-4
! inchikey: ALVYVCQIFHTIRD-UHFFFAOYSA-N
Hvpx___39108_34_4 =  2.4E+02                                  ! [atm] type: M, ref: 3939

! species:  fluticasone
! formula:  C_{22}H_{27}F_3O_4S
! trivial:  
! casrn:    90566-53-3
! inchikey: MGNNYOODZCAHBA-GQKYHHCASA-N
Hvpx___90566_53_3 =  1.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  3-aminophenylsulfur pentafluoride
! formula:  C_6H_6F_5NS
! trivial:  
! casrn:    2993-22-8
! inchikey: NUFLICUHOXHWER-UHFFFAOYSA-N
Hvpx____2993_22_8 =  8.5E-02                                  ! [atm] type: ?, ref: 3766

! species:  4-aminophenylsulfur pentafluoride
! formula:  C_6H_6F_5NS
! trivial:  
! casrn:    2993-24-0
! inchikey: MZGZUHNSMNNSRJ-UHFFFAOYSA-N
Hvpx____2993_24_0 =  1.4E-01                                  ! [atm] type: ?, ref: 3766

! species:  flubenzimine
! formula:  C_{17}H_{10}F_6N_4S
! trivial:  
! casrn:    37893-02-0
! inchikey: IZFZCMFMJKDHJZ-UHFFFAOYSA-N
Hvpx___37893_02_0 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  thiazafluron
! formula:  C_6H_7F_3N_4OS
! trivial:  
! casrn:    25366-23-8
! inchikey: BBJPZPLAZVZTGR-UHFFFAOYSA-N
Hvpx___25366_23_8 =  1.7E-05                                  ! [atm] type: ?, ref: 3087

! species:  4-nitrophenylsulfur pentafluoride
! formula:  C_6H_4F_5NO_2S
! trivial:  
! casrn:    2613-27-6
! inchikey: AGNCKMHGYZKMLN-UHFFFAOYSA-N
Hvpx____2613_27_6 =  3.4E+00                                  ! [atm] type: ?, ref: 3766

! species:  undecafluoro-N-methyl-1-pentanesulfonamide
! formula:  C_6H_4F_{11}NO_2S
! trivial:  
! casrn:    68298-13-5
! inchikey: BKKNDZBSSSAGIB-UHFFFAOYSA-N
Hvpx___68298_13_5 =  1.6E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___68298_13_5 =  1.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___68298_13_5 =  9.8E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___68298_13_5 =  8.7E-01                                  ! [atm] type: Q, ref: 2995

! species:  1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide
! formula:  C_7H_8F_9NO_3S
! trivial:  
! casrn:    34454-97-2
! inchikey: DSRUAYIFDCHEEV-UHFFFAOYSA-N
Hvpx___34454_97_2 =  3.1E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___34454_97_2 =  4.9E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___34454_97_2 =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___34454_97_2 =  2.0E-03                                  ! [atm] type: Q, ref: 2995

! species:  tridecafluoro-N-methyl-1-hexanesulfonamide
! formula:  C_7H_4F_{13}NO_2S
! trivial:  
! casrn:    68259-15-4
! inchikey: HPPDPHZGXWMRHN-UHFFFAOYSA-N
Hvpx___68259_15_4 =  8.2E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___68259_15_4 =  5.9E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___68259_15_4 =  2.2E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___68259_15_4 =  4.6E+00                                  ! [atm] type: Q, ref: 2995

! species:  perfluorooctane sulfonamide
! formula:  C_8H_2F_{17}NO_2S
! trivial:  PFOSA
! casrn:    754-91-6
! inchikey: RRRXPPIDPYTNJG-UHFFFAOYSA-N
Hvpx_____754_91_6 =  1.0E+05                                  ! [atm] type: Q, ref: 3088
Hvpx_____754_91_6 =  1.6E-01                                  ! [atm] type: Q, ref: 2992
Hvpx_____754_91_6 =  6.9E+04                                  ! [atm] type: Q, ref: 2992

! species:  emtricitabine
! formula:  C_8H_{10}FN_3O_3S
! trivial:  
! casrn:    143491-57-0
! inchikey: XQSPYNMVSIKCOC-NTSWFWBYSA-N
Hvpx__143491_57_0 =  6.1E-13                                  ! [atm] type: Q, ref: 3088

! species:  N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
! formula:  C_8H_{10}F_9NO_3S
! trivial:  
! casrn:    34449-89-3
! inchikey: ZSBOIPHQFKYRMG-UHFFFAOYSA-N
Hvpx___34449_89_3 =  4.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___34449_89_3 =  6.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___34449_89_3 =  3.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___34449_89_3 =  2.6E-03                                  ! [atm] type: Q, ref: 2995

! species:  1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methylheptane-1-sulphonamide
! formula:  C_8H_4NO_2F_{15}S
! trivial:  
! casrn:    68259-14-3
! inchikey: KDHCALLFPWZTPN-UHFFFAOYSA-N
Hvpx___68259_14_3 =  4.3E+04                                  ! [atm] type: Q, ref: 2995
Hvpx___68259_14_3 =  3.5E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___68259_14_3 =  4.5E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___68259_14_3 =  2.3E+01                                  ! [atm] type: Q, ref: 2995

! species:  1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-N-methylpentane-1-sulphonamide
! formula:  C_8H_8NO_3F_{11}S
! trivial:  
! casrn:    68555-74-8
! inchikey: BRBCKWCOTRPYGH-UHFFFAOYSA-N
Hvpx___68555_74_8 =  1.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_74_8 =  1.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_74_8 =  2.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_74_8 =  9.8E-03                                  ! [atm] type: Q, ref: 2995

! species:  N-(3-(dimethylamino)propyl)-nonafluoro-1-butanesulfonamide
! formula:  C_9H_{13}F_9N_2O_2S
! trivial:  
! casrn:    68555-77-1
! inchikey: XMRMVBVJGSKMEN-UHFFFAOYSA-N
Hvpx___68555_77_1 =  2.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_77_1 =  1.7E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_77_1 =  5.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_77_1 =  9.2E-04                                  ! [atm] type: Q, ref: 2995

! species:  N-methylperfluorooctanesulphonamide
! formula:  C_9H_4F_{17}NO_2S
! trivial:  N-MeFOSA
! casrn:    31506-32-8
! inchikey: SRMWNTGHXHOWBT-UHFFFAOYSA-N
Hvpx___31506_32_8 =  1.2E+03                                  ! [atm] type: M, ref: 3939
Hvpx___31506_32_8 =  2.2E+05                                  ! [atm] type: Q, ref: 2995
Hvpx___31506_32_8 =  2.6E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___31506_32_8 =  1.1E+04                                  ! [atm] type: Q, ref: 2995
Hvpx___31506_32_8 =  1.1E+02                                  ! [atm] type: Q, ref: 2995

! species:  N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-1-pentanesulfonamide
! formula:  C_9H_{10}NO_3F_{11}S
! trivial:  
! casrn:    68555-72-6
! inchikey: GBPAQIZWHVCENQ-UHFFFAOYSA-N
Hvpx___68555_72_6 =  2.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_72_6 =  2.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_72_6 =  9.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_72_6 =  1.3E-02                                  ! [atm] type: Q, ref: 2995

! species:  1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-N-methyl-1-hexanesulfonamide
! formula:  C_9H_8NO_3F_{13}S
! trivial:  
! casrn:    68555-75-9
! inchikey: UYIBZOUSVFOPJK-UHFFFAOYSA-N
Hvpx___68555_75_9 =  8.5E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_75_9 =  9.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_75_9 =  5.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_75_9 =  5.5E-02                                  ! [atm] type: Q, ref: 2995

! species:  N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)hexane-1-sulfonamide
! formula:  C_{10}H_{10}F_{13}NO_3S
! trivial:  
! casrn:    34455-03-3
! inchikey: SSGYCIQAXNQIBC-UHFFFAOYSA-N
Hvpx___34455_03_3 =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___34455_03_3 =  1.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___34455_03_3 =  1.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___34455_03_3 =  6.2E-02                                  ! [atm] type: Q, ref: 2995

! species:  2-{methyl[(nonafluorobutyl)sulfonyl]\+amino}ethyl acrylate
! formula:  C_{10}H_{10}F_9NO_4S
! trivial:  
! casrn:    67584-55-8
! inchikey: KEMCLRGAIUJRAN-UHFFFAOYSA-N
Hvpx___67584_55_8 =  1.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_55_8 =  1.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_55_8 =  6.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_55_8 =  1.1E-02                                  ! [atm] type: Q, ref: 2995

! species:  N-ethylperfluorooctanesulfonamide
! formula:  C_{10}H_6F_{17}NO_2S
! trivial:  N-EtFOSA
! casrn:    4151-50-2
! inchikey: CCEKAJIANROZEO-UHFFFAOYSA-N
Hvpx____4151_50_2 =  5.8E+02                                  ! [atm] type: M, ref: 3939
Hvpx____4151_50_2 =  3.0E+05                                  ! [atm] type: Q, ref: 3088
Hvpx____4151_50_2 =  3.0E+05                                  ! [atm] type: Q, ref: 2995
Hvpx____4151_50_2 =  4.0E+03                                  ! [atm] type: Q, ref: 2995
Hvpx____4151_50_2 =  5.8E+04                                  ! [atm] type: Q, ref: 2995
Hvpx____4151_50_2 =  1.5E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____4151_50_2 =  8.5E+01                                  ! [atm] type: Q, ref: 2992
Hvpx____4151_50_2 =  7.3E+01                                  ! [atm] type: Q, ref: 2992

! species:  1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methylheptane-1-sulphonamide
! formula:  C_{10}H_8NO_3F_{15}S
! trivial:  
! casrn:    68555-76-0
! inchikey: UIZUTEDYGNRNSW-UHFFFAOYSA-N
Hvpx___68555_76_0 =  4.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_76_0 =  5.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_76_0 =  1.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_76_0 =  2.6E-01                                  ! [atm] type: Q, ref: 2995

! species:  N-methyl perfluorooctane sulfonamidoethanol
! formula:  C_{11}H_8F_{17}NO_3S
! trivial:  MeFOSE
! casrn:    24448-09-7
! inchikey: PLGACQRCZCVKGK-UHFFFAOYSA-N
Hvpx___24448_09_7 =  2.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___24448_09_7 =  4.7E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___24448_09_7 =  2.9E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___24448_09_7 =  1.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___24448_09_7 =  1.1E+00                                  ! [atm] type: Q, ref: 2992
Hvpx___24448_09_7 =  2.6E+02                                  ! [atm] type: Q, ref: 2992

! species:  N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-1-heptanesulfonamide
! formula:  C_{11}H_{10}NO_3F_{15}S
! trivial:  
! casrn:    68555-73-7
! inchikey: HINASMOVWHGCAK-UHFFFAOYSA-N
Hvpx___68555_73_7 =  6.0E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_73_7 =  7.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_73_7 =  3.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___68555_73_7 =  3.0E-01                                  ! [atm] type: Q, ref: 2995

! species:  mefluidide
! formula:  C_{11}H_{13}F_3N_2O_3S
! trivial:  
! casrn:    53780-34-0
! inchikey: OKIBNKKYNPBDRS-UHFFFAOYSA-N
Hvpx___53780_34_0 =  7.2E-07                                  ! [atm] type: Q, ref: 3088

! species:  N-(3-(dimethylamino)propyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-1-hexanesulfonamide
! formula:  C_{11}H_{13}N_2O_2F_{13}S
! trivial:  
! casrn:    50598-28-2
! inchikey: INDOGKYZYLAGEM-UHFFFAOYSA-N
Hvpx___50598_28_2 =  7.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___50598_28_2 =  3.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___50598_28_2 =  2.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___50598_28_2 =  2.2E-02                                  ! [atm] type: Q, ref: 2995

! species:  2-(methyl((undecafluoropentyl)\+sulfonyl)amino)ethyl prop-2-enoate
! formula:  C_{11}H_{10}F_{11}NO_4S
! trivial:  
! casrn:    67584-56-9
! inchikey: FZWFDJBZTLTRGH-UHFFFAOYSA-N
Hvpx___67584_56_9 =  5.6E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_56_9 =  2.8E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_56_9 =  7.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_56_9 =  5.6E-02                                  ! [atm] type: Q, ref: 2995

! species:  2-(methyl((nonafluorobutyl)\+sulphonyl)amino)ethyl methacrylate
! formula:  C_{11}H_{12}F_9NO_4S
! trivial:  
! casrn:    67584-59-2
! inchikey: BEIWUHUHJDEMQO-UHFFFAOYSA-N
Hvpx___67584_59_2 =  1.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_59_2 =  1.1E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_59_2 =  2.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_59_2 =  1.9E-02                                  ! [atm] type: Q, ref: 2995

! species:  N-(3-(dimethylamino)propyl)\+pentadecafluoro-1-heptanesulfonamide
! formula:  C_{12}H_{13}F_{15}N_2O_2S
! trivial:  
! casrn:    67584-54-7
! inchikey: RFJQYRXZGNILIY-UHFFFAOYSA-N
Hvpx___67584_54_7 =  3.7E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_54_7 =  2.4E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_54_7 =  3.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_54_7 =  1.1E-01                                  ! [atm] type: Q, ref: 2995

! species:  acrylic acid 2-[methyl[(tridecafluorohexyl)sulfonyl]\+amino]ethyl ester
! formula:  C_{12}H_{10}F_{13}NO_4S
! trivial:  
! casrn:    67584-57-0
! inchikey: HLKZFXXWGVPYAY-UHFFFAOYSA-N
Hvpx___67584_57_0 =  3.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_57_0 =  9.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_57_0 =  1.6E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___67584_57_0 =  2.7E-01                                  ! [atm] type: Q, ref: 2995

! species:  N-ethyl perfluorooctane sulfonamidoethanol
! formula:  C_{12}H_{10}F_{17}NO_3S
! trivial:  EtFOSE
! casrn:    1691-99-2
! inchikey: HUFHNYZNTFSKCT-UHFFFAOYSA-N
Hvpx____1691_99_2 =  3.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1691_99_2 =  6.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1691_99_2 =  8.7E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1691_99_2 =  1.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1691_99_2 =  9.6E+00                                  ! [atm] type: Q, ref: 2992
Hvpx____1691_99_2 =  4.6E+02                                  ! [atm] type: Q, ref: 2992

! species:  flumetsulam
! formula:  C_{12}H_9F_2N_5O_2S
! trivial:  
! casrn:    98967-40-9
! inchikey: RXCPQSJAVKGONC-UHFFFAOYSA-N
Hvpx___98967_40_9 =  3.7E-12                                  ! [atm] type: ?, ref: 3766

! species:  florasulam
! formula:  C_{12}H_8F_3N_5O_3S
! trivial:  
! casrn:    145701-23-1
! inchikey: QZXATCCPQKOEIH-UHFFFAOYSA-N
Hvpx__145701_23_1 =  3.2E-07                                  ! [atm] type: V, ref: 3088
Hvpx__145701_23_1 =  2.4E-07                                  ! [atm] type: ?, ref: 3549
Hvpx__145701_23_1 =  1.6E-08                                  ! [atm] type: ?, ref: 3549
Hvpx__145701_23_1 =  1.8E-05                                  ! [atm] type: ?, ref: 3549

! species:  2-(methyl((pentadecafluoroheptyl)\+sulphonyl)amino)ethyl acrylate
! formula:  C_{13}H_{10}F_{15}NO_4S
! trivial:  
! casrn:    68084-62-8
! inchikey: BEYGZFVOTUDDJK-UHFFFAOYSA-N
Hvpx___68084_62_8 =  1.6E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___68084_62_8 =  3.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___68084_62_8 =  5.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___68084_62_8 =  1.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  flazasulfuron
! formula:  C_{13}H_{12}F_3N_5O_5S
! trivial:  
! casrn:    104040-78-0
! inchikey: HWATZEJQIXKWQS-UHFFFAOYSA-N
Hvpx__104040_78_0 =  3.4E-07                                  ! [atm] type: Q, ref: 3088
Hvpx__104040_78_0 =  1.4E-06                                  ! [atm] type: ?, ref: 3549

! species:  tritosulfuron
! formula:  C_{13}H_9F_6N_5O_4S
! trivial:  
! casrn:    142469-14-5
! inchikey: KVEQCVKVIFQSGC-UHFFFAOYSA-N
Hvpx__142469_14_5 =  5.5E-05                                  ! [atm] type: ?, ref: 3549

! species:  pyroxsulam
! formula:  C_{14}H_{13}F_3N_6O_5S
! trivial:  
! casrn:    422556-08-9
! inchikey: GLBLPMUBLHYFCW-UHFFFAOYSA-N
Hvpx__422556_08_9 =  3.8E-07                                  ! [atm] type: ?, ref: 3549

! species:  N-methyl perfluorooctane sulfonamidoethylacrylate
! formula:  C_{14}H_{10}F_{17}NO_4S
! trivial:  MeFOSEA
! casrn:    25268-77-3
! inchikey: RTJZWOGSCLVJLD-UHFFFAOYSA-N
Hvpx___25268_77_3 =  1.2E+01                                  ! [atm] type: Q, ref: 2992
Hvpx___25268_77_3 =  2.5E+02                                  ! [atm] type: Q, ref: 2992

! species:  pyrasulfotole
! formula:  C_{14}H_{13}F_3N_2O_4S
! trivial:  
! casrn:    365400-11-9
! inchikey: CZRVDACSCJKRFL-UHFFFAOYSA-N
Hvpx__365400_11_9 =  7.7E-10                                  ! [atm] type: V, ref: 3088

! species:  triafamone
! formula:  C_{14}H_{13}F_3N_4O_5S
! trivial:  
! casrn:    874195-61-6
! inchikey: GBHVIWKSEHWFDD-UHFFFAOYSA-N
Hvpx__874195_61_6 =  6.6E-05                                  ! [atm] type: ?, ref: 3766

! species:  flufenacet
! formula:  C_{14}H_{13}F_4N_3O_2S
! trivial:  
! casrn:    142459-58-3
! inchikey: IANUJLZYFUDJIH-UHFFFAOYSA-N
Hvpx__142459_58_3 =  3.2E-04                                  ! [atm] type: V, ref: 3088
Hvpx__142459_58_3 =  4.9E-04                                  ! [atm] type: ?, ref: 3549

! species:  N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-1-octanesulfonamide
! formula:  C_{14}H_{14}F_{17}NO_3S
! trivial:  
! casrn:    2263-09-4
! inchikey: AQWROZBAYZBWIH-UHFFFAOYSA-N
Hvpx____2263_09_4 =  5.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____2263_09_4 =  1.3E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____2263_09_4 =  1.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____2263_09_4 =  2.5E+00                                  ! [atm] type: Q, ref: 2995

! species:  ethyl N-ethyl-N-[(heptadecafluorooctyl)\+sulphonyl]glycinate
! formula:  C_{14}H_{12}NO_4F_{17}S
! trivial:  
! casrn:    1869-77-8
! inchikey: LMUUXHHNCDERBQ-UHFFFAOYSA-N
Hvpx____1869_77_8 =  4.1E+04                                  ! [atm] type: Q, ref: 2995
Hvpx____1869_77_8 =  3.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____1869_77_8 =  1.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____1869_77_8 =  1.8E+01                                  ! [atm] type: Q, ref: 2995

! species:  perfluidone
! formula:  C_{14}H_{12}F_3NO_4S_2
! trivial:  
! casrn:    37924-13-3
! inchikey: WHTBVLXUSXVMEV-UHFFFAOYSA-N
Hvpx___37924_13_3 =  4.1E-03                                  ! [atm] type: V, ref: 3586
Hvpx___37924_13_3 =  3.3E-09                                  ! [atm] type: Q, ref: 3586

! species:  2-(((heptadecafluorooctyl)sulfonyl)\+methylamino)ethyl methacrylate
! formula:  C_{15}H_{12}F_{17}NO_4S
! trivial:  
! casrn:    14650-24-9
! inchikey: UZMOXNBUTMPDCX-UHFFFAOYSA-N
Hvpx___14650_24_9 =  1.3E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___14650_24_9 =  1.7E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___14650_24_9 =  2.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___14650_24_9 =  1.0E+01                                  ! [atm] type: Q, ref: 2995

! species:  2-(N-ethylperfluorooctane-sulfonamido)ethyl acrylate
! formula:  C_{15}H_{12}F_{17}NO_4S
! trivial:  
! casrn:    423-82-5
! inchikey: ZAZJGBCGMUKZEL-UHFFFAOYSA-N
Hvpx_____423_82_5 =  4.9E-01                                  ! [atm] type: ?, ref: 3766

! species:  isoxaflutole
! formula:  C_{15}H_{12}F_3NO_4S
! trivial:  
! casrn:    141112-29-0
! inchikey: OYIKARCXOQLFHF-UHFFFAOYSA-N
Hvpx__141112_29_0 =  1.0E-05                                  ! [atm] type: X, ref: macbean2012
Hvpx__141112_29_0 =  1.0E-05                                  ! [atm] type: ?, ref: 3549

! species:  primisulfuron-methyl
! formula:  C_{15}H_{12}F_4N_4O_7S
! trivial:  
! casrn:    86209-51-0
! inchikey: ZTYVMAQSHCZXLF-UHFFFAOYSA-N
Hvpx___86209_51_0 =  7.7E-08                                  ! [atm] type: Q, ref: 3088

! species:  dithiopyr
! formula:  C_{15}H_{16}F_5NO_2S_2
! trivial:  
! casrn:    97886-45-8
! inchikey: YUBJPYNSGLJZPQ-UHFFFAOYSA-N
Hvpx___97886_45_8 =  8.3E-02                                  ! [atm] type: ?, ref: 3766

! species:  penoxsulam
! formula:  C_{16}H_{14}F_5N_5O_5S
! trivial:  
! casrn:    219714-96-2
! inchikey: SYJGKVOENHZYMQ-UHFFFAOYSA-N
Hvpx__219714_96_2 =  6.1E-14                                  ! [atm] type: V, ref: 3088
Hvpx__219714_96_2 =  4.5E-15                                  ! [atm] type: ?, ref: 3549
Hvpx__219714_96_2 =  1.2E-12                                  ! [atm] type: ?, ref: 3549
Hvpx__219714_96_2 =  1.6E-14                                  ! [atm] type: ?, ref: 3549

! species:  pantoprazole
! formula:  C_{16}H_{15}F_2N_3O_4S
! trivial:  
! casrn:    102625-70-7
! inchikey: IQPSEEYGBUAQFF-UHFFFAOYSA-N
Hvpx__102625_70_7 =  3.2E-15                                  ! [atm] type: Q, ref: 3088

! species:  2-(N-ethylperfluorooctanesulfamido)ethyl methacrylate
! formula:  C_{16}H_{14}F_{17}NO_4S
! trivial:  
! casrn:    376-14-7
! inchikey: DBCGADAHIXJHCE-UHFFFAOYSA-N
Hvpx_____376_14_7 =  1.7E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____376_14_7 =  1.4E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____376_14_7 =  3.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____376_14_7 =  1.3E+01                                  ! [atm] type: Q, ref: 2995

! species:  thiazopyr
! formula:  C_{16}H_{17}F_5N_2O_2S
! trivial:  
! casrn:    117718-60-2
! inchikey: YIJZJEYQBAAWRJ-UHFFFAOYSA-N
Hvpx__117718_60_2 =  2.6E-02                                  ! [atm] type: V, ref: 3586
Hvpx__117718_60_2 =  2.6E-02                                  ! [atm] type: V, ref: 3088
Hvpx__117718_60_2 =  6.3E-05                                  ! [atm] type: Q, ref: 3586

! species:  penthiopyrad
! formula:  C_{16}H_{20}F_3N_3OS
! trivial:  
! casrn:    183675-82-3
! inchikey: PFFIDZXUXFLSSR-UHFFFAOYSA-N
Hvpx__183675_82_3 =  7.6E-05                                  ! [atm] type: ?, ref: 3549
Hvpx__183675_82_3 =  4.2E-03                                  ! [atm] type: ?, ref: 3549
Hvpx__183675_82_3 =  2.3E-04                                  ! [atm] type: ?, ref: 3549
Hvpx__183675_82_3 =  3.5E-03                                  ! [atm] type: ?, ref: 3549

! species:  triflusulfuron-methyl
! formula:  C_{17}H_{19}F_3N_6O_6S
! trivial:  
! casrn:    126535-15-7
! inchikey: IMEVJVISCHQJRM-UHFFFAOYSA-N
Hvpx__126535_15_7 =  1.3E-03                                  ! [atm] type: ?, ref: 3549

! species:  celecoxib
! formula:  C_{17}H_{14}F_3N_3O_2S
! trivial:  
! casrn:    169590-42-5
! inchikey: RZEKVGVHFLEQIL-UHFFFAOYSA-N
Hvpx__169590_42_5 =  4.3E-08                                  ! [atm] type: Q, ref: 3088

! species:  2-(butyl((heptadecafluorooctyl)\+sulfonyl)amino)ethyl acrylate
! formula:  C_{17}H_{16}F_{17}NO_4S
! trivial:  
! casrn:    383-07-3
! inchikey: AQQNNAXBGPWALO-UHFFFAOYSA-N
Hvpx_____383_07_3 =  1.9E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____383_07_3 =  1.3E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____383_07_3 =  3.0E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____383_07_3 =  1.3E+01                                  ! [atm] type: Q, ref: 2995

! species:  thidiazimin
! formula:  C_{18}H_{17}N_4O_2FS
! trivial:  
! casrn:    123249-43-4
! inchikey: HZKBYBNLTLVSPX-JZJYNLBNSA-N
Hvpx__123249_43_4 =  1.5E-09                                  ! [atm] type: ?, ref: 3087

! species:  benthiavalicarb isopropyl
! formula:  C_{18}H_{24}FN_3O_3S
! trivial:  
! casrn:    177406-68-7
! inchikey: USRKFGIXLGKMKU-IAQYHMDHSA-N
Hvpx__177406_68_7 =  4.8E-03                                  ! [atm] type: X, ref: macbean2012
Hvpx__177406_68_7 =  4.8E-03                                  ! [atm] type: ?, ref: 3549

! species:  flutianil
! formula:  C_{19}H_{14}F_4N_2OS_2
! trivial:  
! casrn:    958647-10-4
! inchikey: KGXUEPOHGFWQKF-ZCXUNETKSA-N
Hvpx__958647_10_4 =  7.6E-03                                  ! [atm] type: ?, ref: 3766

! species:  rosuvastatin
! formula:  C_{22}H_{28}N_3O_6FS
! trivial:  
! casrn:    287714-41-4
! inchikey: BPRHUIZQVSMCRT-YXWZHEERSA-N
Hvpx__287714_41_4 =  1.9E-15                                  ! [atm] type: Q, ref: 3088

! species:  oxathiapiprolin
! formula:  C_{24}H_{22}F_5N_5O_2S
! trivial:  
! casrn:    1003318-67-9
! inchikey: IAQLCKZJGNTRDO-UHFFFAOYSA-N
Hvpx_1003318_67_9 =  1.9E-03                                  ! [atm] type: ?, ref: 3549

! species:  trichloromethanesulfenyl chloride
! formula:  CCl_4S
! trivial:  
! casrn:    594-42-3
! inchikey: RYFZYYUIAZYQLC-UHFFFAOYSA-N
Hvpx_____594_42_3 =  1.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____594_42_3 =  8.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____594_42_3 =  5.8E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____594_42_3 =  1.0E+02                                  ! [atm] type: Q, ref: 2995

! species:  1,1,2,2-tetrachloroethanesulfenyl chloride
! formula:  C_2HCl_5S
! trivial:  
! casrn:    1185-09-7
! inchikey: LCVOCDOSGJHZFH-UHFFFAOYSA-N
Hvpx____1185_09_7 =  6.2E+00                                  ! [atm] type: Q, ref: 2995
Hvpx____1185_09_7 =  1.5E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____1185_09_7 =  2.9E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____1185_09_7 =  8.2E+00                                  ! [atm] type: Q, ref: 2995

! species:  2-chloroethyl methyl sulfide
! formula:  C_3H_7ClS
! trivial:  
! casrn:    542-81-4
! inchikey: MYFKLQFBFSHBPA-UHFFFAOYSA-N
Hvpx_____542_81_4 =  1.0E+01                                  ! [atm] type: ?, ref: 3393

! species:  2-chloroethyl ethyl sulfide
! formula:  C_4H_9ClS
! trivial:  
! casrn:    693-07-2
! inchikey: GBNVXYXIRHSYEG-UHFFFAOYSA-N
Hvpx_____693_07_2 =  2.7E+01                                  ! [atm] type: Q, ref: 3088
Hvpx_____693_07_2 =  2.0E+01                                  ! [atm] type: ?, ref: 3393

! species:  2,2'-dichlorodiethylsulfide
! formula:  (ClCH_2CH_2)_2S
! trivial:  mustard gas
! casrn:    505-60-2
! inchikey: QKSKPIVNLNLAAV-UHFFFAOYSA-N
Hvpx_____505_60_2 =  1.8E+00                                  ! [atm] type: V, ref: 642
Hvpx_____505_60_2 =  2.5E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____505_60_2 =  3.7E+00                                  ! [atm] type: Q, ref: 3586
Hvpx_____505_60_2 =  3.3E+00                                  ! [atm] type: Q, ref: 2530
Hvpx_____505_60_2 =  1.4E+00                                  ! [atm] type: ?, ref: 3586
Hvpx_____505_60_2 =  1.3E+00                                  ! [atm] type: ?, ref: 3393
Hvpx_____505_60_2 =  1.3E+00                                  ! [atm] type: ?, ref: 3121

! species:  1,2-bis(2-chloroethylthio)ethane
! formula:  C_6H_{12}Cl_2S_2
! trivial:  sesquimustard
! casrn:    3563-36-8
! inchikey: AMGNHZVUZWILSB-UHFFFAOYSA-N
Hvpx____3563_36_8 =  6.2E-03                                  ! [atm] type: ?, ref: 3766

! species:  pentachlorobenzenethiol
! formula:  C_6HCl_5S
! trivial:  
! casrn:    133-49-3
! inchikey: LLMLGZUZTFMXSA-UHFFFAOYSA-N
Hvpx_____133_49_3 =  8.3E+00                                  ! [atm] type: Q, ref: 3088
Hvpx_____133_49_3 =  6.5E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____133_49_3 =  2.0E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____133_49_3 =  4.2E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____133_49_3 =  2.5E+01                                  ! [atm] type: Q, ref: 2995

! species:  chloroethyl phenyl sulfide
! formula:  C_8H_9ClS
! trivial:  
! casrn:    5535-49-9
! inchikey: QDXIHHOPZFCEAP-UHFFFAOYSA-N
Hvpx____5535_49_9 =  4.1E+00                                  ! [atm] type: ?, ref: 3393

! species:  tetrasul
! formula:  C_{12}H_6Cl_4S
! trivial:  
! casrn:    2227-13-6
! inchikey: QUWSDLYBOVGOCW-UHFFFAOYSA-N
Hvpx____2227_13_6 =  5.9E-01                                  ! [atm] type: ?, ref: 3087

! species:  methanesulfonyl chloride
! formula:  CH_3ClO_2S
! trivial:  
! casrn:    124-63-0
! inchikey: QARBMVPHQWIHKH-UHFFFAOYSA-N
Hvpx_____124_63_0 =  2.4E+00                                  ! [atm] type: Q, ref: 3088

! species:  bis(trichloromethyl)sulfone
! formula:  C_2Cl_6O_2S
! trivial:  
! casrn:    3064-70-8
! inchikey: YBNLWIZAWPBUKQ-UHFFFAOYSA-N
Hvpx____3064_70_8 =  6.6E-04                                  ! [atm] type: Q, ref: 3088
Hvpx____3064_70_8 =  6.6E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____3064_70_8 =  4.4E+01                                  ! [atm] type: Q, ref: 2995
Hvpx____3064_70_8 =  1.8E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____3064_70_8 =  5.4E-02                                  ! [atm] type: Q, ref: 2995

! species:  benzenesulfonyl chloride
! formula:  C_6H_5ClO_2S
! trivial:  
! casrn:    98-09-9
! inchikey: CSKNSYBAZOQPLR-UHFFFAOYSA-N
Hvpx______98_09_9 =  4.8E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______98_09_9 =  3.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_09_9 =  8.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_09_9 =  3.5E-03                                  ! [atm] type: Q, ref: 2995

! species:  4-methylbenzenesulfonyl chloride
! formula:  C_7H_7ClO_2S
! trivial:  
! casrn:    98-59-9
! inchikey: YYROPELSRYBVMQ-UHFFFAOYSA-N
Hvpx______98_59_9 =  5.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx______98_59_9 =  3.1E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_59_9 =  4.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______98_59_9 =  5.9E-03                                  ! [atm] type: Q, ref: 2995

! species:  endosulfan
! formula:  C_9H_6Cl_6O_3S
! trivial:  
! casrn:    115-29-7
! inchikey: RDYMFSUJUZBWLH-UHFFFAOYSA-N
Hvpx_____115_29_7 =  5.8E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____115_29_7 =  5.0E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_29_7 =  2.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_29_7 =  5.1E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_29_7 =  2.4E-09                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_29_7 =  1.7E-02                                  ! [atm] type: Q, ref: 2521
Hvpx_____115_29_7 =  7.0E-01                                  ! [atm] type: Q, ref: 2530

! species:  $\alpha$-endosulfan
! formula:  C_9H_6Cl_6O_3S
! trivial:  endosulfan I
! casrn:    959-98-8
! inchikey: RDYMFSUJUZBWLH-AMHWMVONSA-N
Hvpx_____959_98_8 =  3.9E-01                                  ! [atm] type: L, ref: 2948
Hvpx_____959_98_8 =  3.8E-01                                  ! [atm] type: L, ref: 2948
Hvpx_____959_98_8 =  3.8E-01                                  ! [atm] type: L, ref: 2965
Hvpx_____959_98_8 =  3.9E-01                                  ! [atm] type: L, ref: 2965
Hvpx_____959_98_8 =  4.5E-01                                  ! [atm] type: M, ref: 3404
Hvpx_____959_98_8 =  4.3E-01 * EXP(  -4200.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx_____959_98_8 =  3.9E-01                                  ! [atm] type: M, ref: 1195
Hvpx_____959_98_8 =  3.7E+00                                  ! [atm] type: M, ref: 893
Hvpx_____959_98_8 =  4.1E+00 * EXP(  -2300.*(1./T-1./298.15)) ! [atm] type: M, ref: 3791
Hvpx_____959_98_8 =  3.7E-01                                  ! [atm] type: V, ref: 1995
Hvpx_____959_98_8 =  1.6E+00                                  ! [atm] type: V, ref: 1157
Hvpx_____959_98_8 =  6.0E-01                                  ! [atm] type: C, ref: 1157
Hvpx_____959_98_8 =  5.7E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____959_98_8 =  1.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____959_98_8 =  6.9E-01                                  ! [atm] type: Q, ref: 2530
Hvpx_____959_98_8 =  3.9E-01                                  ! [atm] type: ?, ref: 3586

! species:  $\beta$-endosulfan
! formula:  C_9H_6Cl_6O_3S
! trivial:  endosulfan II
! casrn:    33213-65-9
! inchikey: RDYMFSUJUZBWLH-MDBBVBRHSA-N
Hvpx___33213_65_9 =  2.2E-02                                  ! [atm] type: L, ref: 2948
Hvpx___33213_65_9 =  2.5E-02                                  ! [atm] type: L, ref: 2948
Hvpx___33213_65_9 =  8.5E-02                                  ! [atm] type: M, ref: 3404
Hvpx___33213_65_9 =  2.9E-02 * EXP(  -3700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx___33213_65_9 =  2.2E-01                                  ! [atm] type: M, ref: 1195
Hvpx___33213_65_9 =  4.9E-01                                  ! [atm] type: M, ref: 893
Hvpx___33213_65_9 =  4.8E-01                                  ! [atm] type: M, ref: 3791
Hvpx___33213_65_9 =  3.4E-02                                  ! [atm] type: V, ref: 1995
Hvpx___33213_65_9 =  3.4E-04                                  ! [atm] type: Q, ref: 3730
Hvpx___33213_65_9 =  1.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx___33213_65_9 =  1.7E-02                                  ! [atm] type: Q, ref: 2521
Hvpx___33213_65_9 =  6.9E-01                                  ! [atm] type: Q, ref: 2530
Hvpx___33213_65_9 =  2.2E-02                                  ! [atm] type: ?, ref: 3586

! species:  endosulfan sulfate
! formula:  C_9H_6Cl_6O_4S
! trivial:  
! casrn:    1031-07-8
! inchikey: AAPVQEMYVNZIOO-UHFFFAOYSA-N
Hvpx____1031_07_8 =  6.6E-07                                  ! [atm] type: V, ref: 3088

! species:  mcpa-thioethyl
! formula:  C_{11}H_{13}ClO_2S
! trivial:  
! casrn:    25319-90-8
! inchikey: AZFKQCNGMSSWDS-UHFFFAOYSA-N
Hvpx___25319_90_8 =  1.2E+00                                  ! [atm] type: V, ref: 2614

! species:  1,1'-sulfonylbis(4-chlorobenzene)
! formula:  C_{12}H_8Cl_2O_2S
! trivial:  
! casrn:    80-07-9
! inchikey: GPAPPPVRLPGFEQ-UHFFFAOYSA-N
Hvpx______80_07_9 =  7.7E-03                                  ! [atm] type: Q, ref: 3088
Hvpx______80_07_9 =  7.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx______80_07_9 =  8.3E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______80_07_9 =  1.1E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______80_07_9 =  1.8E-04                                  ! [atm] type: Q, ref: 2995

! species:  2,2'-thiobis-4,6-dichlorophenol
! formula:  C_{12}H_6Cl_4O_2S
! trivial:  bithionol
! casrn:    97-18-7
! inchikey: JFIOVJDNOJYLKP-UHFFFAOYSA-N
Hvpx______97_18_7 =  4.8E-06                                  ! [atm] type: ?, ref: 3766

! species:  1,2,4-trichloro-5-[(4-chlorophenyl)sulfonyl]benzene
! formula:  C_{12}H_6Cl_4O_2S
! trivial:  tetradifon
! casrn:    116-29-0
! inchikey: MLGCXEBRWGEOQX-UHFFFAOYSA-N
Hvpx_____116_29_0 =  8.0E-05                                  ! [atm] type: V, ref: 3586
Hvpx_____116_29_0 =  8.0E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____116_29_0 =  5.5E-04                                  ! [atm] type: Q, ref: 3586

! species:  ovex
! formula:  C_{12}H_8Cl_2O_3S
! trivial:  chlorfenson
! casrn:    80-33-1
! inchikey: RZXLPPRPEOUENN-UHFFFAOYSA-N
Hvpx______80_33_1 =  8.9E-03                                  ! [atm] type: Q, ref: 3088

! species:  sulphenone
! formula:  C_{12}H_9ClO_2S
! trivial:  
! casrn:    80-00-2
! inchikey: OFCFYWOKHPOXKF-UHFFFAOYSA-N
Hvpx______80_00_2 =  1.1E-02                                  ! [atm] type: Q, ref: 3088

! species:  sulcotrione
! formula:  C_{14}H_{13}ClO_5S
! trivial:  
! casrn:    99105-77-8
! inchikey: PQTBTIFWAXVEPB-UHFFFAOYSA-N
Hvpx___99105_77_8 =  3.3E-07                                  ! [atm] type: ?, ref: 3549

! species:  aramite
! formula:  C_{15}H_{23}ClO_4S
! trivial:  
! casrn:    140-57-8
! inchikey: YKFRAOGHWKADFJ-UHFFFAOYSA-N
Hvpx_____140_57_8 =  1.1E-02                                  ! [atm] type: Q, ref: 3088

! species:  6-chloro-2-(6-chloro-4-methyl-3-oxobenzo[$b$]thien-2(3H)-ylidene)-4-methylbenzo[$b$]thiophene-3(2H)-one
! formula:  C_{18}H_{10}Cl_2O_2S_2
! trivial:  
! casrn:    2379-74-0
! inchikey: NDDLLTAIKYHPOD-ISLYRVAYSA-N
Hvpx____2379_74_0 =  1.7E-08                                  ! [atm] type: Q, ref: 2995
Hvpx____2379_74_0 =  4.6E-08                                  ! [atm] type: Q, ref: 2995
Hvpx____2379_74_0 =  1.0E-05                                  ! [atm] type: Q, ref: 2995
Hvpx____2379_74_0 =  2.3E-07                                  ! [atm] type: Q, ref: 2995

! species:  5-chloro-3-(trichloromethyl)-1,2,4-thiadiazole
! formula:  C_3Cl_4N_2S
! trivial:  
! casrn:    5848-93-1
! inchikey: MARKPJMFLDWCID-UHFFFAOYSA-N
Hvpx____5848_93_1 =  3.5E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____5848_93_1 =  2.9E-02                                  ! [atm] type: Q, ref: 2995
Hvpx____5848_93_1 =  7.4E-01                                  ! [atm] type: Q, ref: 2995
Hvpx____5848_93_1 =  1.3E+00                                  ! [atm] type: Q, ref: 2995

! species:  2,4-dichloro-6-(methylthio)-1,3,5-triazine
! formula:  C_4H_3Cl_2N_3S
! trivial:  
! casrn:    13705-05-0
! inchikey: MWPZLWRHHPWTFS-UHFFFAOYSA-N
Hvpx___13705_05_0 =  4.2E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___13705_05_0 =  4.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx___13705_05_0 =  5.6E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___13705_05_0 =  3.2E-02                                  ! [atm] type: Q, ref: 2995

! species:  chlorthiamid
! formula:  C_7H_5Cl_2NS
! trivial:  
! casrn:    1918-13-4
! inchikey: KGKGSIUWJCAFPX-UHFFFAOYSA-N
Hvpx____1918_13_4 =  1.5E-05                                  ! [atm] type: ?, ref: 3087

! species:  (2-chlorophenyl)thiourea
! formula:  C_7H_7ClN_2S
! trivial:  
! casrn:    5344-82-1
! inchikey: YZUKKTCDYSIWKJ-UHFFFAOYSA-N
Hvpx____5344_82_1 =  5.5E-03                                  ! [atm] type: Q, ref: 3088

! species:  2-chloroallyl-N,N-diethyldithiocarbamate
! formula:  C_8H_{14}ClNS_2
! trivial:  
! casrn:    95-06-7
! inchikey: XJCLWVXTCRQIDI-UHFFFAOYSA-N
Hvpx______95_06_7 =  3.6E-01                                  ! [atm] type: V, ref: 3586
Hvpx______95_06_7 =  3.6E-01                                  ! [atm] type: V, ref: 3088
Hvpx______95_06_7 =  2.6E-03                                  ! [atm] type: Q, ref: 3586
Hvpx______95_06_7 =  2.6E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______95_06_7 =  1.3E-01                                  ! [atm] type: Q, ref: 2530

! species:  thiacloprid
! formula:  C_{10}H_9ClN_4S
! trivial:  
! casrn:    111988-49-9
! inchikey: HOKKPVIRMVDYPB-UHFFFAOYSA-N
Hvpx__111988_49_9 =  6.1E-10                                  ! [atm] type: V, ref: 3088
Hvpx__111988_49_9 =  2.6E-10                                  ! [atm] type: ?, ref: 3549

! species:  chloromethiuron
! formula:  C_{10}H_{13}N_2ClS
! trivial:  
! casrn:    28217-97-2
! inchikey: IBZZDPVVVSNQOY-UHFFFAOYSA-N
Hvpx___28217_97_2 =  2.7E-06                                  ! [atm] type: ?, ref: 3087

! species:  imibenconazole
! formula:  C_{17}H_{13}Cl_3N_4S
! trivial:  
! casrn:    86598-92-7
! inchikey: AGKSTYPVMZODRV-UHFFFAOYSA-N
Hvpx___86598_92_7 =  1.1E-05                                  ! [atm] type: V, ref: 3586
Hvpx___86598_92_7 =  8.1E-05                                  ! [atm] type: Q, ref: 3586

! species:  etridiazole
! formula:  C_5H_5Cl_3N_2OS
! trivial:  
! casrn:    2593-15-9
! inchikey: KQTVWCSONPJJPE-UHFFFAOYSA-N
Hvpx____2593_15_9 =  1.5E-02                                  ! [atm] type: V, ref: 3586
Hvpx____2593_15_9 =  1.7E+00                                  ! [atm] type: V, ref: 3088
Hvpx____2593_15_9 =  3.5E-02                                  ! [atm] type: V, ref: 2614
Hvpx____2593_15_9 =  1.0E-02                                  ! [atm] type: Q, ref: 3586

! species:  4-chloro-3-nitrobenzenesulfonamide
! formula:  C_6H_5ClN_2O_4S
! trivial:  
! casrn:    97-09-6
! inchikey: SPZGXONNVLTQDE-UHFFFAOYSA-N
Hvpx______97_09_6 =  6.6E-05                                  ! [atm] type: Q, ref: 3088

! species:  clothianidin
! formula:  C_6H_8ClN_5O_2S
! trivial:  
! casrn:    210880-92-5
! inchikey: PGOOBECODWQEAB-UHFFFAOYSA-N
Hvpx__210880_92_5 =  1.6E-11                                  ! [atm] type: X, ref: macbean2012
Hvpx__210880_92_5 =  1.6E-11                                  ! [atm] type: ?, ref: 3549

! species:  chlobenthiazone
! formula:  C_8H_6NOClS
! trivial:  
! casrn:    63755-05-5
! inchikey: QCPASDYEQAVIJF-UHFFFAOYSA-N
Hvpx___63755_05_5 =  4.1E-01                                  ! [atm] type: ?, ref: 3087

! species:  prothiocarb hydrochloride
! formula:  C_8H_{19}ClN_2OS
! trivial:  
! casrn:    19622-19-6
! inchikey: NMFAMPYSJHIYMR-UHFFFAOYSA-N
Hvpx___19622_19_6 =  2.2E-10                                  ! [atm] type: ?, ref: 3087

! species:  thicyofen
! formula:  C_8H_5N_2OClS_2
! trivial:  
! casrn:    116170-30-0
! inchikey: GNOOAFGERMHQJE-UHFFFAOYSA-N
Hvpx__116170_30_0 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  thiamethoxam
! formula:  C_8H_{10}ClN_5O_3S
! trivial:  
! casrn:    153719-23-4
! inchikey: NWWZPOKUUAIXIW-DHZHZOJOSA-N
Hvpx__153719_23_4 =  2.5E-10                                  ! [atm] type: V, ref: 3088
Hvpx__153719_23_4 =  2.6E-10                                  ! [atm] type: ?, ref: 3549

! species:  4-amino-3,5-dichloro-N-ethyl-2-methylbenzenesulfonamide
! formula:  C_9H_{12}Cl_2N_2O_2S
! trivial:  
! casrn:    151574-12-8
! inchikey: SBBHTEMLRJJIGK-UHFFFAOYSA-N
Hvpx__151574_12_8 =  1.5E-05                                  ! [atm] type: Q, ref: 2995
Hvpx__151574_12_8 =  4.8E-05                                  ! [atm] type: Q, ref: 2995
Hvpx__151574_12_8 =  4.6E-07                                  ! [atm] type: Q, ref: 2995
Hvpx__151574_12_8 =  3.6E-08                                  ! [atm] type: Q, ref: 2995

! species:  dichlofluanid
! formula:  C_9H_{11}Cl_2FN_2O_2S_2
! trivial:  
! casrn:    1085-98-9
! inchikey: WURGXGVFSMYFCG-UHFFFAOYSA-N
Hvpx____1085_98_9 =  2.1E-03                                  ! [atm] type: V, ref: 3586
Hvpx____1085_98_9 =  2.9E-03                                  ! [atm] type: V, ref: 2614
Hvpx____1085_98_9 =  2.2E-05                                  ! [atm] type: V, ref: 2973
Hvpx____1085_98_9 =  9.6E-04                                  ! [atm] type: Q, ref: 3586
Hvpx____1085_98_9 =  3.7E-02                                  ! [atm] type: Q, ref: 3088

! species:  captan
! formula:  C_9H_8Cl_3NO_2S
! trivial:  
! casrn:    133-06-2
! inchikey: LDVVMCZRFWMZSG-UHFFFAOYSA-N
Hvpx_____133_06_2 =  3.9E-04                                  ! [atm] type: V, ref: 3088
Hvpx_____133_06_2 =  3.5E-04                                  ! [atm] type: V, ref: 2614
Hvpx_____133_06_2 =  3.3E-01                                  ! [atm] type: V, ref: 1157
Hvpx_____133_06_2 =  3.3E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx_____133_06_2 =  2.6E+02                                  ! [atm] type: Q, ref: 3729
Hvpx_____133_06_2 =  1.6E-04                                  ! [atm] type: ?, ref: 3549
Hvpx_____133_06_2 =  1.1E-04                                  ! [atm] type: ?, ref: 3549

! species:  benazolin
! formula:  C_9H_6ClNO_3S
! trivial:  
! casrn:    3813-05-6
! inchikey: HYJSGOXICXYZGS-UHFFFAOYSA-N
Hvpx____3813_05_6 =  1.3E-07                                  ! [atm] type: ?, ref: 3766

! species:  folpet
! formula:  C_9H_4Cl_3NO_2S
! trivial:  
! casrn:    133-07-3
! inchikey: HKIOYBQGHSTUDB-UHFFFAOYSA-N
Hvpx_____133_07_3 =  4.2E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____133_07_3 =  4.3E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____133_07_3 =  2.1E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____133_07_3 =  2.1E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx_____133_07_3 =  2.9E-02                                  ! [atm] type: Q, ref: 3586
Hvpx_____133_07_3 =  4.5E+00                                  ! [atm] type: Q, ref: 3729
Hvpx_____133_07_3 =  4.4E-03                                  ! [atm] type: ?, ref: 3549

! species:  captafol
! formula:  C_{10}H_9Cl_4NO_2S
! trivial:  difolatan
! casrn:    2425-06-1
! inchikey: JHRWWRDRBPCWTF-UHFFFAOYSA-N
Hvpx____2425_06_1 =  2.7E-04                                  ! [atm] type: V, ref: 3586
Hvpx____2425_06_1 =  1.5E-04                                  ! [atm] type: V, ref: 3088
Hvpx____2425_06_1 =  1.5E-02                                  ! [atm] type: Q, ref: 3586

! species:  diallate
! formula:  C_{10}H_{17}Cl_2NOS
! trivial:  avadex
! casrn:    2303-16-4
! inchikey: SPANOECCGNXGNR-UITAMQMPSA-N
Hvpx____2303_16_4 =  2.1E-01                                  ! [atm] type: V, ref: 3088
Hvpx____2303_16_4 =  5.9E-02                                  ! [atm] type: V, ref: 2614
Hvpx____2303_16_4 =  1.4E-01                                  ! [atm] type: V, ref: 1157
Hvpx____2303_16_4 =  2.1E-01                                  ! [atm] type: ?, ref: 3087

! species:  triallate
! formula:  C_{10}H_{16}Cl_3NOS
! trivial:  
! casrn:    2303-17-5
! inchikey: MWBPRDONLNQCFV-UHFFFAOYSA-N
Hvpx____2303_17_5 =  6.6E-01                                  ! [atm] type: V, ref: 3088
Hvpx____2303_17_5 =  6.2E-01                                  ! [atm] type: V, ref: 2614
Hvpx____2303_17_5 =  5.6E-01                                  ! [atm] type: V, ref: 1157
Hvpx____2303_17_5 =  5.4E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx____2303_17_5 =  3.5E+01                                  ! [atm] type: Q, ref: 3729
Hvpx____2303_17_5 =  4.9E-01                                  ! [atm] type: ?, ref: 3549

! species:  tolylfluanid
! formula:  C_{10}H_{13}Cl_2FN_2O_2S_2
! trivial:  
! casrn:    731-27-1
! inchikey: HYVWIQDYBVKITD-UHFFFAOYSA-N
Hvpx_____731_27_1 =  4.2E-02                                  ! [atm] type: V, ref: 3586
Hvpx_____731_27_1 =  4.2E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____731_27_1 =  3.4E-03                                  ! [atm] type: V, ref: 2614
Hvpx_____731_27_1 =  1.5E-03                                  ! [atm] type: Q, ref: 3586

! species:  tiadinil
! formula:  C_{11}H_{10}ClN_3OS
! trivial:  
! casrn:    223580-51-6
! inchikey: VJQYLJSMBWXGDV-UHFFFAOYSA-N
Hvpx__223580_51_6 =  1.0E-05                                  ! [atm] type: ?, ref: 3766

! species:  benazolin-ethyl
! formula:  C_{11}H_{10}NO_3ClS
! trivial:  
! casrn:    25059-80-7
! inchikey: WQRCEBAZAUAUQC-UHFFFAOYSA-N
Hvpx___25059_80_7 =  1.2E-03                                  ! [atm] type: V, ref: 3586
Hvpx___25059_80_7 =  1.0E-04                                  ! [atm] type: Q, ref: 3586

! species:  orbencarb
! formula:  C_{12}H_{16}ClNOS
! trivial:  
! casrn:    34622-58-7
! inchikey: LLLFASISUZUJEQ-UHFFFAOYSA-N
Hvpx___34622_58_7 =  2.7E-02                                  ! [atm] type: ?, ref: 3766

! species:  S-(4-chlorobenzyl) diethylthiocarbamate
! formula:  C_{12}H_{16}ClNOS
! trivial:  thiobencarb
! casrn:    28249-77-6
! inchikey: QHTQREMOGMZHJV-UHFFFAOYSA-N
Hvpx___28249_77_6 =  2.8E-02                                  ! [atm] type: M, ref: 2538
Hvpx___28249_77_6 =  1.1E-01                                  ! [atm] type: M, ref: 2229
Hvpx___28249_77_6 =  1.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx___28249_77_6 =  9.4E-03                                  ! [atm] type: V, ref: 3090
Hvpx___28249_77_6 =  1.5E-02                                  ! [atm] type: C, ref: 3073

! species:  furosemide
! formula:  C_{12}H_{11}ClN_2O_5S
! trivial:  
! casrn:    54-31-9
! inchikey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N
Hvpx______54_31_9 =  2.2E-11                                  ! [atm] type: Q, ref: 3088

! species:  chlorsulfuron
! formula:  C_{12}H_{12}ClN_5O_4S
! trivial:  
! casrn:    64902-72-3
! inchikey: VJYIFXVZLXQVHO-UHFFFAOYSA-N
Hvpx___64902_72_3 =  1.7E-05                                  ! [atm] type: V, ref: 2614
Hvpx___64902_72_3 =  3.7E-06                                  ! [atm] type: C, ref: 3073
Hvpx___64902_72_3 =  1.9E-11                                  ! [atm] type: ?, ref: 3549

! species:  phosalone
! formula:  C_{12}H_{15}ClNO_4S_2
! trivial:  
! casrn:    2310-17-0
! inchikey: IOUNQDKNJZEDEP-UHFFFAOYSA-N
Hvpx____2310_17_0 =  2.2E-02                                  ! [atm] type: Q, ref: 3088

! species:  dimethenamid
! formula:  C_{12}H_{18}ClNO_2S
! trivial:  
! casrn:    87674-68-8
! inchikey: JLYFCTQDENRSOL-UHFFFAOYSA-N
Hvpx___87674_68_8 =  6.2E-04                                  ! [atm] type: Q, ref: 3730
Hvpx___87674_68_8 =  1.2E-01                                  ! [atm] type: Q, ref: 3586
Hvpx___87674_68_8 =  1.2E-03                                  ! [atm] type: Q, ref: 2521
Hvpx___87674_68_8 =  2.4E-03                                  ! [atm] type: Q, ref: 2530
Hvpx___87674_68_8 =  4.5E-03                                  ! [atm] type: ?, ref: 3586

! species:  dimethenamid-p
! formula:  C_{12}H_{18}ClNO_2S
! trivial:  
! casrn:    163515-14-8
! inchikey: JLYFCTQDENRSOL-VIFPVBQESA-N
Hvpx__163515_14_8 =  2.6E-04                                  ! [atm] type: X, ref: macbean2012
Hvpx__163515_14_8 =  2.6E-04                                  ! [atm] type: ?, ref: 3549

! species:  cyazofamid
! formula:  C_{13}H_{13}ClN_4O_2S
! trivial:  
! casrn:    120116-88-3
! inchikey: YXKMMRDKEKCERS-UHFFFAOYSA-N
Hvpx__120116_88_3 =  2.2E-02                                  ! [atm] type: V, ref: 3088
Hvpx__120116_88_3 =  2.2E-02                                  ! [atm] type: ?, ref: 3549

! species:  metosulam
! formula:  C_{14}H_{13}Cl_2N_5O_4S
! trivial:  
! casrn:    139528-85-1
! inchikey: VGHPMIFEKOFHHQ-UHFFFAOYSA-N
Hvpx__139528_85_1 =  4.4E-13                                  ! [atm] type: ?, ref: 3549

! species:  prothioconazole
! formula:  C_{14}H_{15}Cl_2N_3OS
! trivial:  
! casrn:    178928-70-6
! inchikey: MNHVNIJQQRJYDH-UHFFFAOYSA-N
Hvpx__178928_70_6 =  2.5E-05                                  ! [atm] type: V, ref: 3088
Hvpx__178928_70_6 =  1.6E-05                                  ! [atm] type: ?, ref: 3549

! species:  triasulfuron
! formula:  C_{14}H_{16}ClN_5O_5S
! trivial:  
! casrn:    82097-50-5
! inchikey: XOPFESVZMSQIKC-UHFFFAOYSA-N
Hvpx___82097_50_5 =  6.8E-10                                  ! [atm] type: ?, ref: 3766

! species:  chlorimuron-ethyl
! formula:  C_{15}H_{15}ClN_4O_6S
! trivial:  
! casrn:    90982-32-4
! inchikey: NSWAMPCUPHPTTC-UHFFFAOYSA-N
Hvpx___90982_32_4 =  1.0E-10                                  ! [atm] type: V, ref: 3088

! species:  clopidogrel
! formula:  C_{16}H_{16}ClNO_2S
! trivial:  
! casrn:    113665-84-2
! inchikey: GKTWGGQPFAXNFI-HNNXBMFYSA-N
Hvpx__113665_84_2 =  1.2E-04                                  ! [atm] type: Q, ref: 3088

! species:  thenylchlor
! formula:  C_{16}H_{18}ClNO_2S
! trivial:  
! casrn:    96491-05-3
! inchikey: KDWQYMVPYJGPHS-UHFFFAOYSA-N
Hvpx___96491_05_3 =  4.5E-04                                  ! [atm] type: V, ref: 3586
Hvpx___96491_05_3 =  8.7E-03                                  ! [atm] type: Q, ref: 3586

! species:  chlorpromazine
! formula:  C_{17}H_{19}ClN_2S
! trivial:  
! casrn:    50-53-3
! inchikey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N
Hvpx______50_53_3 =  8.3E-06                                  ! [atm] type: ?, ref: 3766

! species:  hexythiazox
! formula:  C_{17}H_{21}N_2O_2ClS
! trivial:  
! casrn:    78587-05-0
! inchikey: XGWIJUOSCAQSSV-XHDPSFHLSA-N
Hvpx___78587_05_0 =  1.3E-03                                  ! [atm] type: V, ref: 3088
Hvpx___78587_05_0 =  6.5E-03                                  ! [atm] type: ?, ref: 3549

! species:  clethodim
! formula:  C_{17}H_{26}ClNO_3S
! trivial:  
! casrn:    99129-21-2
! inchikey: INNPZTGYZSAJFN-ZTVUPKSFSA-N
Hvpx___99129_21_2 =  6.6E-07                                  ! [atm] type: Q, ref: 3088
Hvpx___99129_21_2 =  7.6E-08                                  ! [atm] type: ?, ref: 3549

! species:  clindamycin
! formula:  C_{18}H_{33}N_2O_5ClS
! trivial:  
! casrn:    18323-44-9
! inchikey: KDLRVYVGXIQJDK-AWPVFWJPSA-N
Hvpx___18323_44_9 =  1.6E-17                                  ! [atm] type: Q, ref: 3088

! species:  pyridate
! formula:  C_{19}H_{23}ClN_2O_2S
! trivial:  
! casrn:    55512-33-9
! inchikey: JTZCTMAVMHRNTR-UHFFFAOYSA-N
Hvpx___55512_33_9 =  1.8E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx___55512_33_9 =  1.1E-01                                  ! [atm] type: Q, ref: 3729
Hvpx___55512_33_9 =  6.6E-05                                  ! [atm] type: ?, ref: 3549

! species:  vismodegib
! formula:  C_{19}H_{14}Cl_2N_2O_3S
! trivial:  
! casrn:    879085-55-9
! inchikey: BPQMGSKTAYIVFO-UHFFFAOYSA-N
Hvpx__879085_55_9 =  8.9E-13                                  ! [atm] type: Q, ref: 3088

! species:  pyridaben
! formula:  C_{19}H_{25}ClN_2OS
! trivial:  
! casrn:    96489-71-3
! inchikey: DWFZBUWUXWZWKD-UHFFFAOYSA-N
Hvpx___96489_71_3 =  2.6E+00                                  ! [atm] type: V, ref: 3088

! species:  tembotrione
! formula:  C_{17}H_{16}ClF_3O_6S
! trivial:  
! casrn:    335104-84-2
! inchikey: IUQAXCIUEPFPSF-UHFFFAOYSA-N
Hvpx__335104_84_2 =  9.4E-11                                  ! [atm] type: V, ref: 3088
Hvpx__335104_84_2 =  9.3E-11                                  ! [atm] type: ?, ref: 3549

! species:  fluensulfone
! formula:  C_7H_5ClF_3NO_2S_2
! trivial:  
! casrn:    318290-98-1
! inchikey: XSNMWAPKHUGZGQ-UHFFFAOYSA-N
Hvpx__318290_98_1 =  9.0E-03                                  ! [atm] type: ?, ref: 3766

! species:  fluothiuron
! formula:  C_{10}H_{10}Cl_2F_2N_2OS
! trivial:  
! casrn:    33439-45-1
! inchikey: YFEUKKUPOVGUIW-UHFFFAOYSA-N
Hvpx___33439_45_1 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  sulfentrazone
! formula:  C_{11}H_{10}Cl_2F_2N_4O_3S
! trivial:  
! casrn:    122836-35-5
! inchikey: OORLZFUTLGXMEF-UHFFFAOYSA-N
Hvpx__122836_35_5 =  3.5E-08                                  ! [atm] type: V, ref: 3586
Hvpx__122836_35_5 =  3.5E-08                                  ! [atm] type: V, ref: 3088
Hvpx__122836_35_5 =  1.5E-09                                  ! [atm] type: Q, ref: 3586

! species:  flurazole
! formula:  C_{12}H_7NO_2ClF_3S
! trivial:  
! casrn:    72850-64-7
! inchikey: MKQSWTQPLLCSOB-UHFFFAOYSA-N
Hvpx___72850_64_7 =  1.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx___72850_64_7 =  4.6E-03                                  ! [atm] type: Q, ref: 3586
Hvpx___72850_64_7 =  1.4E-02                                  ! [atm] type: ?, ref: 3087

! species:  fipronil
! formula:  C_{12}H_4Cl_2F_6N_4OS
! trivial:  
! casrn:    120068-37-3
! inchikey: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
Hvpx__120068_37_3 =  4.7E-05                                  ! [atm] type: V, ref: 3586
Hvpx__120068_37_3 =  4.6E-05                                  ! [atm] type: V, ref: 3088
Hvpx__120068_37_3 =  1.2E-08                                  ! [atm] type: Q, ref: 3586

! species:  flusulfamide
! formula:  C_{13}H_7Cl_2F_3N_2O_4S
! trivial:  
! casrn:    106917-52-6
! inchikey: GNVDAZSPJWCIQZ-UHFFFAOYSA-N
Hvpx__106917_52_6 =  1.4E-04                                  ! [atm] type: ?, ref: 3766

! species:  ethiprole
! formula:  C_{13}H_9Cl_2F_3N_4OS
! trivial:  
! casrn:    181587-01-9
! inchikey: FNELVJVBIYMIMC-UHFFFAOYSA-N
Hvpx__181587_01_9 =  2.1E-06                                  ! [atm] type: ?, ref: 3766

! species:  diclosulam
! formula:  C_{13}H_{10}Cl_2FN_5O_3S
! trivial:  
! casrn:    145701-21-9
! inchikey: QNXAVFXEJCPCJO-UHFFFAOYSA-N
Hvpx__145701_21_9 =  2.1E-11                                  ! [atm] type: ?, ref: 3766

! species:  cloransulam-methyl
! formula:  C_{15}H_{13}ClFN_5O_5S
! trivial:  
! casrn:    147150-35-4
! inchikey: BIKACRYIQSLICJ-UHFFFAOYSA-N
Hvpx__147150_35_4 =  3.4E-12                                  ! [atm] type: ?, ref: 3766

! species:  fluthiacet-methyl
! formula:  C_{15}H_{15}ClFN_3O_3S_2
! trivial:  
! casrn:    117337-19-6
! inchikey: ZCNQYNHDVRPZIH-UHFFFAOYSA-N
Hvpx__117337_19_6 =  1.1E-04                                  ! [atm] type: V, ref: 3586
Hvpx__117337_19_6 =  1.2E-04                                  ! [atm] type: V, ref: 3088
Hvpx__117337_19_6 =  1.3E-06                                  ! [atm] type: Q, ref: 3586
Hvpx__117337_19_6 =  8.3E-07                                  ! [atm] type: Q, ref: 2530

! species:  vemurafenib
! formula:  C_{23}H_{18}ClF_2N_3O_3S
! trivial:  
! casrn:    918504-65-1
! inchikey: GPXBXXGIAQBQNI-UHFFFAOYSA-N
Hvpx__918504_65_1 =  6.6E-13                                  ! [atm] type: Q, ref: 3088

! species:  tetrabromobisphenol S
! formula:  C_{12}H_6Br_4O_4S
! trivial:  
! casrn:    39635-79-5
! inchikey: JHJUYGMZIWDHMO-UHFFFAOYSA-N
Hvpx___39635_79_5 =  3.7E-12                                  ! [atm] type: Q, ref: 2995
Hvpx___39635_79_5 =  5.6E-07                                  ! [atm] type: Q, ref: 2995
Hvpx___39635_79_5 =  9.4E-08                                  ! [atm] type: Q, ref: 2995
Hvpx___39635_79_5 =  4.5E-08                                  ! [atm] type: Q, ref: 2995

! species:  1,3-dibromo-5-[3,5-dibromo-4-(2,3-dibromopropoxy)benzenesulfonyl]-2-(2,3-dibromopropoxy)benzene
! formula:  C_{18}H_{14}Br_8O_4S
! trivial:  
! casrn:    42757-55-1
! inchikey: CWZVMVIHYSYLSI-UHFFFAOYSA-N
Hvpx___42757_55_1 =  6.6E-10                                  ! [atm] type: Q, ref: 2995
Hvpx___42757_55_1 =  1.1E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___42757_55_1 =  3.0E-12                                  ! [atm] type: Q, ref: 2995
Hvpx___42757_55_1 =  8.5E-10                                  ! [atm] type: Q, ref: 2995

! species:  bromphenol blue
! formula:  C_{19}H_{10}Br_4O_5S
! trivial:  
! casrn:    115-39-9
! inchikey: UDSAIICHUKSCKT-UHFFFAOYSA-N
Hvpx_____115_39_9 =  2.9E-14                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_39_9 =  1.1E-06                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_39_9 =  5.9E-11                                  ! [atm] type: Q, ref: 2995
Hvpx_____115_39_9 =  1.0E-11                                  ! [atm] type: Q, ref: 2995

! species:  bromcresol green
! formula:  C_{21}H_{14}Br_4O_5S
! trivial:  
! casrn:    76-60-8
! inchikey: FRPHFZCDPYBUAU-UHFFFAOYSA-N
Hvpx______76_60_8 =  3.6E-14                                  ! [atm] type: Q, ref: 2995
Hvpx______76_60_8 =  5.3E-07                                  ! [atm] type: Q, ref: 2995
Hvpx______76_60_8 =  3.0E-10                                  ! [atm] type: Q, ref: 2995
Hvpx______76_60_8 =  3.3E-11                                  ! [atm] type: Q, ref: 2995

! species:  bromocresol purple
! formula:  C_{21}H_{16}Br_2O_5S
! trivial:  
! casrn:    115-40-2
! inchikey: ABIUHPWEYMSGSR-UHFFFAOYSA-N
Hvpx_____115_40_2 =  5.5E-14                                  ! [atm] type: Q, ref: 3088

! species:  difethialone
! formula:  C_{31}H_{23}BrO_2S
! trivial:  
! casrn:    104653-34-1
! inchikey: VSVAQRUUFVBBFS-UHFFFAOYSA-N
Hvpx__104653_34_1 =  5.5E-02                                  ! [atm] type: V, ref: 3586
Hvpx__104653_34_1 =  5.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx__104653_34_1 =  1.0E-07                                  ! [atm] type: Q, ref: 3586

! species:  amisulbrom
! formula:  C_{13}H_{13}BrFN_5O_4S_2
! trivial:  
! casrn:    348635-87-0
! inchikey: BREATYVWRHIPIY-UHFFFAOYSA-N
Hvpx__348635_87_0 =  1.2E-02                                  ! [atm] type: X, ref: macbean2012
Hvpx__348635_87_0 =  1.5E-05                                  ! [atm] type: ?, ref: 3549

! species:  thifluzamide
! formula:  C_{13}H_6Br_2F_6N_2O_2S
! trivial:  
! casrn:    130000-40-7
! inchikey: WOSNCVAPUOFXEH-UHFFFAOYSA-N
Hvpx__130000_40_7 =  4.6E-07                                  ! [atm] type: ?, ref: 3766

! species:  amical 48
! formula:  C_8H_8I_2O_2S
! trivial:  diiodomethyl $p$-tolyl sulfone
! casrn:    20018-09-1
! inchikey: XOILGBPDXMVFIP-UHFFFAOYSA-N
Hvpx___20018_09_1 =  4.3E-04                                  ! [atm] type: Q, ref: 3088

! species:  flubendiamide
! formula:  C_{23}H_{22}F_7IN_2O_4S
! trivial:  
! casrn:    272451-65-7
! inchikey: ZGNITFSDLCMLGI-UHFFFAOYSA-N
Hvpx__272451_65_7 =  1.2E+01                                  ! [atm] type: V, ref: 3088

! species:  9-icosyl-9-phosphabicyclo[4.2.1]nonane
! formula:  C_{28}H_{55}P
! trivial:  
! casrn:    13886-99-2
! inchikey: UNOOEFGBOLKBFW-UHFFFAOYSA-N
Hvpx___13886_99_2 =  1.7E+04                                  ! [atm] type: Q, ref: 2995
Hvpx___13886_99_2 =  1.7E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___13886_99_2 =  2.5E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___13886_99_2 =  6.8E+04                                  ! [atm] type: Q, ref: 2995

! species:  triphenylphosphine
! formula:  C_{18}H_{15}P
! trivial:  
! casrn:    603-35-0
! inchikey: RIOQSEWOXXDEQQ-UHFFFAOYSA-N
Hvpx_____603_35_0 =  1.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____603_35_0 =  5.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____603_35_0 =  4.3E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____603_35_0 =  1.1E-01                                  ! [atm] type: Q, ref: 2995

! species:  phosphoric acid, trimethyl ester
! formula:  C_3H_9O_4P
! trivial:  trimethyl phosphate
! casrn:    512-56-1
! inchikey: WVLBCYQITXONBZ-UHFFFAOYSA-N
Hvpx_____512_56_1 =  4.0E-04                                  ! [atm] type: M, ref: 3084
Hvpx_____512_56_1 =  8.6E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx_____512_56_1 =  8.9E-03                                  ! [atm] type: Q, ref: 3579
Hvpx_____512_56_1 =  3.9E-04                                  ! [atm] type: ?, ref: 3393
Hvpx_____512_56_1 =  1.0E-02                                  ! [atm] type: ?, ref: 2440

! species:  trimethyl phosphite
! formula:  C_3H_9O_3P
! trivial:  
! casrn:    121-45-9
! inchikey: CYTQBVOFDCPGCX-UHFFFAOYSA-N
Hvpx_____121_45_9 =  6.1E-01                                  ! [atm] type: Q, ref: 3088

! species:  dimethyl methylphosphonate
! formula:  C_3H_9O_3P
! trivial:  
! casrn:    756-79-6
! inchikey: VONWDASPFIQPDY-UHFFFAOYSA-N
Hvpx_____756_79_6 =  7.2E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____756_79_6 =  7.2E-02                                  ! [atm] type: ?, ref: 3393

! species:  diethyl hydrogen phosphite
! formula:  C_4H_{11}O_3P
! trivial:  
! casrn:    762-04-9
! inchikey: MJUJXFBTEFXVKU-UHFFFAOYSA-N
Hvpx_____762_04_9 =  3.2E-01                                  ! [atm] type: Q, ref: 3088
Hvpx_____762_04_9 =  1.0E+02                                  ! [atm] type: ?, ref: 3393

! species:  triethylphosphate
! formula:  C_6H_{15}O_4P
! trivial:  
! casrn:    78-40-0
! inchikey: DQWPFSLDHJDLRL-UHFFFAOYSA-N
Hvpx______78_40_0 =  2.0E-03                                  ! [atm] type: M, ref: 3084
Hvpx______78_40_0 =  4.0E-03                                  ! [atm] type: R, ref: 1501
Hvpx______78_40_0 =  8.2E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_40_0 =  8.3E-03                                  ! [atm] type: X, ref: yaws2003handbook
Hvpx______78_40_0 =  1.1E-02                                  ! [atm] type: Q, ref: 3682
Hvpx______78_40_0 =  8.1E-03                                  ! [atm] type: Q, ref: 3579
Hvpx______78_40_0 =  8.3E-02                                  ! [atm] type: ?, ref: 3393
Hvpx______78_40_0 =  5.7E-03                                  ! [atm] type: ?, ref: 2440

! species:  diethyl ethyl phosphonate
! formula:  C_6H_{15}O_3P
! trivial:  
! casrn:    78-38-6
! inchikey: AATNZNJRDOVKDD-UHFFFAOYSA-N
Hvpx______78_38_6 =  1.6E-01                                  ! [atm] type: ?, ref: 3393

! species:  mevinphos
! formula:  C_7H_{13}O_6P
! trivial:  
! casrn:    7786-34-7
! inchikey: GEPDYQSQVLXLEU-AATRIKPKSA-N
Hvpx____7786_34_7 =  2.3E-06                                  ! [atm] type: V, ref: 2455
Hvpx____7786_34_7 =  2.2E-04                                  ! [atm] type: Q, ref: 3088

! species:  diisopropyl methanephosphonate
! formula:  C_7H_{17}O_3P
! trivial:  
! casrn:    1445-75-6
! inchikey: WOAFDHWYKSOANX-UHFFFAOYSA-N
Hvpx____1445_75_6 =  2.4E+00                                  ! [atm] type: V, ref: 3088
Hvpx____1445_75_6 =  2.4E+00                                  ! [atm] type: ?, ref: 3393

! species:  dibutyl hydrogen phosphite
! formula:  C_8H_{19}O_3P
! trivial:  
! casrn:    1809-19-4
! inchikey: NFJPGAKRJKLOJK-UHFFFAOYSA-N
Hvpx____1809_19_4 =  1.0E+00                                  ! [atm] type: Q, ref: 3088

! species:  dibutyl phosphate
! formula:  C_8H_{19}O_4P
! trivial:  
! casrn:    107-66-4
! inchikey: JYFHYPJRHGVZDY-UHFFFAOYSA-N
Hvpx_____107_66_4 =  2.4E-04                                  ! [atm] type: Q, ref: 3088

! species:  tetraethyl pyrophosphate
! formula:  C_8H_{20}O_7P_2
! trivial:  
! casrn:    107-49-3
! inchikey: IDCBOTIENDVCBQ-UHFFFAOYSA-N
Hvpx_____107_49_3 =  1.2E-05                                  ! [atm] type: V, ref: 3088

! species:  tripropyl phosphate
! formula:  C_9H_{21}O_4P
! trivial:  
! casrn:    513-08-6
! inchikey: RXPQRKFMDQNODS-UHFFFAOYSA-N
Hvpx_____513_08_6 =  3.7E-02                                  ! [atm] type: M, ref: 3084

! species:  triallyl phosphate
! formula:  C_9H_{15}O_4P
! trivial:  
! casrn:    1623-19-4
! inchikey: XHGIFBQQEGRTPB-UHFFFAOYSA-N
Hvpx____1623_19_4 =  3.1E-02                                  ! [atm] type: Q, ref: 3088

! species:  tributylphosphate
! formula:  C_{12}H_{27}O_4P
! trivial:  
! casrn:    126-73-8
! inchikey: STCOOQWBFONSKY-UHFFFAOYSA-N
Hvpx_____126_73_8 =  7.7E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____126_73_8 =  3.5E-02                                  ! [atm] type: V, ref: 2452
Hvpx_____126_73_8 =  1.1E-01                                  ! [atm] type: V, ref: 2971

! species:  hexaethyl tetraphosphate
! formula:  C_{12}H_{30}O_{13}P_4
! trivial:  
! casrn:    757-58-4
! inchikey: DAJYZXUXDOSMCG-UHFFFAOYSA-N
Hvpx_____757_58_4 =  1.8E-12                                  ! [atm] type: Q, ref: 3088

! species:  crotoxyphos
! formula:  C_{14}H_{19}O_6P
! trivial:  
! casrn:    7700-17-6
! inchikey: XXXSILNSXNPGKG-ZHACJKMWSA-N
Hvpx____7700_17_6 =  3.2E-04                                  ! [atm] type: V, ref: 3088
Hvpx____7700_17_6 =  3.3E-04                                  ! [atm] type: V, ref: 2614
Hvpx____7700_17_6 =  3.3E-04                                  ! [atm] type: ?, ref: 3087

! species:  phosphoric acid, dibutyl phenyl ester
! formula:  C_{14}H_{23}O_4P
! trivial:  
! casrn:    2528-36-1
! inchikey: YICSVBJRVMLQNS-UHFFFAOYSA-N
Hvpx____2528_36_1 =  2.8E-02                                  ! [atm] type: Q, ref: 3088

! species:  bis(2-ethylhexyl) hydrogen phosphite
! formula:  C_{16}H_{35}O_3P
! trivial:  
! casrn:    3658-48-8
! inchikey: HZIUHEQKVCPTAJ-UHFFFAOYSA-N
Hvpx____3658_48_8 =  9.4E+00                                  ! [atm] type: Q, ref: 3088
Hvpx____3658_48_8 =  8.3E+02                                  ! [atm] type: ?, ref: 3393

! species:  bis(2-ethylhexyl)hydrogen phosphate
! formula:  C_{16}H_{35}O_4P
! trivial:  bis(2-ethylhexyl) phosphate
! casrn:    298-07-7
! inchikey: SEGLCEQVOFDUPX-UHFFFAOYSA-N
Hvpx_____298_07_7 =  2.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  triphenyl phosphate
! formula:  C_{18}H_{15}O_4P
! trivial:  
! casrn:    115-86-6
! inchikey: XZZNDPSIHUTMOC-UHFFFAOYSA-N
Hvpx_____115_86_6 =  1.8E-01                                  ! [atm] type: V, ref: 3088

! species:  tris(2-butoxyethyl) phosphate
! formula:  C_{18}H_{39}O_7P
! trivial:  
! casrn:    78-51-3
! inchikey: WTLBZVNBAKMVDP-UHFFFAOYSA-N
Hvpx______78_51_3 =  6.6E-07                                  ! [atm] type: Q, ref: 3088

! species:  $p$-cresyl diphenyl phosphate
! formula:  C_{19}H_{17}O_4P
! trivial:  
! casrn:    78-31-9
! inchikey: OJUZRFGUKHQNJX-UHFFFAOYSA-N
Hvpx______78_31_9 =  5.5E-03                                  ! [atm] type: Q, ref: 3088

! species:  triphenylphosphine oxide
! formula:  C_{18}H_{15}OP
! trivial:  
! casrn:    791-28-6
! inchikey: FIQMHBFVRAXMOP-UHFFFAOYSA-N
Hvpx_____791_28_6 =  2.9E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____791_28_6 =  1.2E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____791_28_6 =  5.1E-08                                  ! [atm] type: Q, ref: 2995
Hvpx_____791_28_6 =  2.1E+00                                  ! [atm] type: Q, ref: 2995

! species:  phosphorous acid, triphenyl ester
! formula:  C_{18}H_{15}O_3P
! trivial:  
! casrn:    101-02-0
! inchikey: HVLLSGMXQDNUAL-UHFFFAOYSA-N
Hvpx_____101_02_0 =  3.0E-02                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_02_0 =  1.2E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_02_0 =  3.7E-03                                  ! [atm] type: Q, ref: 2995
Hvpx_____101_02_0 =  7.8E-06                                  ! [atm] type: Q, ref: 2995

! species:  trihexylphosphine oxide
! formula:  C_{18}H_{39}OP
! trivial:  
! casrn:    3084-48-8
! inchikey: PPDZLUVUQQGIOJ-UHFFFAOYSA-N
Hvpx____3084_48_8 =  1.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____3084_48_8 =  1.9E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____3084_48_8 =  9.4E-06                                  ! [atm] type: Q, ref: 2995
Hvpx____3084_48_8 =  1.6E+06                                  ! [atm] type: Q, ref: 2995

! species:  phosphoric acid, octyl diphenyl ester
! formula:  C_{20}H_{27}O_4P
! trivial:  
! casrn:    115-88-8
! inchikey: YAFOVCNAQTZDQB-UHFFFAOYSA-N
Hvpx_____115_88_8 =  1.4E-02                                  ! [atm] type: Q, ref: 3088

! species:  octyldihexylphosphine oxide
! formula:  C_{20}H_{43}OP
! trivial:  
! casrn:    31160-64-2
! inchikey: XHRRUIJGMKIISX-UHFFFAOYSA-N
Hvpx___31160_64_2 =  2.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___31160_64_2 =  1.7E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___31160_64_2 =  1.0E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___31160_64_2 =  2.4E+06                                  ! [atm] type: Q, ref: 2995

! species:  octicizer
! formula:  C_{20}H_{27}O_4P
! trivial:  
! casrn:    1241-94-7
! inchikey: CGSLYBDCEGBZCG-UHFFFAOYSA-N
Hvpx____1241_94_7 =  5.4E+00                                  ! [atm] type: Q, ref: 3730
Hvpx____1241_94_7 =  2.0E-01                                  ! [atm] type: Q, ref: 3586
Hvpx____1241_94_7 =  3.0E+00                                  ! [atm] type: ?, ref: 3586

! species:  tris(methylphenyl) phosphate
! formula:  C_{21}H_{21}O_4P
! trivial:  tricresyl phosphate
! casrn:    1330-78-5
! inchikey: IUJIYUAKFBGBCG-UHFFFAOYSA-N
Hvpx____1330_78_5 =  4.5E-02                                  ! [atm] type: V, ref: 3088

! species:  phosphoric acid, (1-methylethyl)phenyl diphenyl ester
! formula:  C_{21}H_{21}O_4P
! trivial:  
! casrn:    28108-99-8
! inchikey: JJXNVYMIYBNZQX-UHFFFAOYSA-N
Hvpx___28108_99_8 =  4.3E-03                                  ! [atm] type: Q, ref: 3088

! species:  phosphoric acid, tris(2-methylphenyl) ester
! formula:  C_{21}H_{21}O_4P
! trivial:  tri-$o$-cresyl phosphate
! casrn:    78-30-8
! inchikey: YSMRWXYRXBRSND-UHFFFAOYSA-N
Hvpx______78_30_8 =  1.1E-01                                  ! [atm] type: Q, ref: 3088

! species:  phosphoric acid, tris(3-methylphenyl) ester
! formula:  C_{21}H_{21}O_4P
! trivial:  tri-$m$-cresyl phosphate
! casrn:    563-04-2
! inchikey: RMLPZKRPSQVRAB-UHFFFAOYSA-N
Hvpx_____563_04_2 =  4.0E+00                                  ! [atm] type: Q, ref: 3730
Hvpx_____563_04_2 =  1.1E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____563_04_2 =  5.5E-02                                  ! [atm] type: Q, ref: 3088
Hvpx_____563_04_2 =  4.6E+00                                  ! [atm] type: ?, ref: 3586

! species:  phosphoric acid, tris(4-methylphenyl) ester
! formula:  C_{21}H_{21}O_4P
! trivial:  tri-$p$-cresyl phosphate
! casrn:    78-32-0
! inchikey: BOSMZFBHAYFUBJ-UHFFFAOYSA-N
Hvpx______78_32_0 =  3.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  (3-{\it tert}-butylphenyl) diphenyl phosphate
! formula:  C_{22}H_{23}O_4P
! trivial:  
! casrn:    UNKNOWN
! inchikey: NIAVXHWAURFNOW-UHFFFAOYSA-N
Hvpx_NIAVXHWAURFNOW_UHFFFAOYSA_N =  4.9E-02                                  ! [atm] type: ?, ref: 3766

! species:  (4-{\it tert}-butylphenyl) diphenyl phosphate
! formula:  C_{22}H_{23}O_4P
! trivial:  
! casrn:    981-40-8
! inchikey: ULGAVXUJJBOWOD-UHFFFAOYSA-N
Hvpx_____981_40_8 =  1.2E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____981_40_8 =  3.0E-03                                  ! [atm] type: Q, ref: 3730
Hvpx_____981_40_8 =  1.5E-01                                  ! [atm] type: Q, ref: 3586
Hvpx_____981_40_8 =  4.9E-02                                  ! [atm] type: ?, ref: 3586

! species:  isodecyl diphenyl phosphate
! formula:  C_{22}H_{31}O_4P
! trivial:  
! casrn:    29761-21-5
! inchikey: RYUJRXVZSJCHDZ-UHFFFAOYSA-N
Hvpx___29761_21_5 =  2.4E-02                                  ! [atm] type: Q, ref: 3088

! species:  dioctylhexylphosphine oxide
! formula:  C_{22}H_{47}OP
! trivial:  
! casrn:    31160-66-4
! inchikey: MKEFGIKZZDCMQC-UHFFFAOYSA-N
Hvpx___31160_66_4 =  3.8E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___31160_66_4 =  1.6E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___31160_66_4 =  1.4E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___31160_66_4 =  3.9E+06                                  ! [atm] type: Q, ref: 2995

! species:  tris(2,4-dimethylphenyl)phosphate
! formula:  C_{24}H_{27}O_4P
! trivial:  
! casrn:    3862-12-2
! inchikey: KOWVWXQNQNCRRS-UHFFFAOYSA-N
Hvpx____3862_12_2 =  4.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  tris(2,5-dimethylphenyl)phosphate
! formula:  C_{24}H_{27}O_4P
! trivial:  
! casrn:    19074-59-0
! inchikey: MDHAARLWBHZGIP-UHFFFAOYSA-N
Hvpx___19074_59_0 =  4.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  tris(2,6-dimethylphenyl)phosphate
! formula:  C_{24}H_{27}O_4P
! trivial:  
! casrn:    121-06-2
! inchikey: QLORRTLBSJTMSN-UHFFFAOYSA-N
Hvpx_____121_06_2 =  4.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  tris(3,4-dimethylphenyl)phosphate
! formula:  C_{24}H_{27}O_4P
! trivial:  
! casrn:    3862-11-1
! inchikey: BCTKCHOESSAGCN-UHFFFAOYSA-N
Hvpx____3862_11_1 =  4.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  tris(3,5-dimethylphenyl)phosphate
! formula:  C_{24}H_{27}O_4P
! trivial:  
! casrn:    25653-16-1
! inchikey: LLPMAOBOEQFPRE-UHFFFAOYSA-N
Hvpx___25653_16_1 =  4.0E-03                                  ! [atm] type: Q, ref: 3088

! species:  tris(4-isopropylphenyl) phosphate
! formula:  C_{27}H_{33}O_4P
! trivial:  
! casrn:    26967-76-0
! inchikey: ANVREEJNGJMLOV-UHFFFAOYSA-N
Hvpx___26967_76_0 =  1.6E-02                                  ! [atm] type: Q, ref: 3088

! species:  trioctylphosphine oxide
! formula:  C_{24}H_{51}OP
! trivial:  
! casrn:    78-50-2
! inchikey: ZMBHCYHQLYEYDV-UHFFFAOYSA-N
Hvpx______78_50_2 =  6.6E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______78_50_2 =  1.5E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______78_50_2 =  1.6E-05                                  ! [atm] type: Q, ref: 2995
Hvpx______78_50_2 =  5.9E+06                                  ! [atm] type: Q, ref: 2995

! species:  bis(2-ethylhexyl)-2-ethylhexyl phosphonate
! formula:  C_{24}H_{51}O_3P
! trivial:  
! casrn:    126-63-6
! inchikey: GOCVCBDBQYEFQD-UHFFFAOYSA-N
Hvpx_____126_63_6 =  2.6E+01                                  ! [atm] type: Q, ref: 2995
Hvpx_____126_63_6 =  8.7E+04                                  ! [atm] type: Q, ref: 2995
Hvpx_____126_63_6 =  1.0E-05                                  ! [atm] type: Q, ref: 2995
Hvpx_____126_63_6 =  7.1E+03                                  ! [atm] type: Q, ref: 2995
Hvpx_____126_63_6 =  4.2E+02                                  ! [atm] type: ?, ref: 3393

! species:  didodecyl hydrogen phosphate
! formula:  C_{24}H_{51}O_4P
! trivial:  
! casrn:    7057-92-3
! inchikey: JTXUVYOABGUBMX-UHFFFAOYSA-N
Hvpx____7057_92_3 =  2.2E-02                                  ! [atm] type: Q, ref: 3088

! species:  phosphoric acid, tris(2-ethylhexyl) ester
! formula:  C_{24}H_{51}O_4P
! trivial:  trioctyl phosphate
! casrn:    78-42-2
! inchikey: GTVWRXDRKAHEAD-UHFFFAOYSA-N
Hvpx______78_42_2 =  4.4E-03                                  ! [atm] type: V, ref: 3088

! species:  diisodecylphenyl phosphite
! formula:  C_{26}H_{47}O_3P
! trivial:  
! casrn:    25550-98-5
! inchikey: SXXILWLQSQDLDL-UHFFFAOYSA-N
Hvpx___25550_98_5 =  2.9E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___25550_98_5 =  2.1E-01                                  ! [atm] type: Q, ref: 2995
Hvpx___25550_98_5 =  3.3E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___25550_98_5 =  1.4E+02                                  ! [atm] type: Q, ref: 2995

! species:  4-nonylphenyl diphenyl phosphate
! formula:  C_{27}H_{33}O_4P
! trivial:  
! casrn:    64532-97-4
! inchikey: LMCLPMXCYFSRNG-UHFFFAOYSA-N
Hvpx___64532_97_4 =  6.8E-04                                  ! [atm] type: Q, ref: 3730
Hvpx___64532_97_4 =  2.1E-02                                  ! [atm] type: Q, ref: 3586
Hvpx___64532_97_4 =  7.7E-04                                  ! [atm] type: ?, ref: 3586

! species:  resorcinol bis(diphenyl phosphate)
! formula:  C_{30}H_{24}O_8P_2
! trivial:  
! casrn:    57583-54-7
! inchikey: OWICEWMBIBPFAH-UHFFFAOYSA-N
Hvpx___57583_54_7 =  1.6E-08                                  ! [atm] type: Q, ref: 2995
Hvpx___57583_54_7 =  3.8E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___57583_54_7 =  2.1E-09                                  ! [atm] type: Q, ref: 2995
Hvpx___57583_54_7 =  1.4E-17                                  ! [atm] type: Q, ref: 2995

! species:  hydroquinone bis(diphenyl phosphate)
! formula:  C_{30}H_{24}O_8P_2
! trivial:  
! casrn:    51732-57-1
! inchikey: RECLNCPBBUHRDY-UHFFFAOYSA-N
Hvpx___51732_57_1 =  1.6E-13                                  ! [atm] type: Q, ref: 3627

! species:  tris(4-{\it tert}-butylphenyl) phosphate
! formula:  C_{30}H_{39}O_4P
! trivial:  
! casrn:    78-33-1
! inchikey: LORSVOJSXMHDHF-UHFFFAOYSA-N
Hvpx______78_33_1 =  3.8E-02                                  ! [atm] type: Q, ref: 2995
Hvpx______78_33_1 =  6.5E+02                                  ! [atm] type: Q, ref: 2995
Hvpx______78_33_1 =  3.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx______78_33_1 =  1.6E-02                                  ! [atm] type: Q, ref: 2995

! species:  tris-(2,4-di-{\it tert}-butylphenyl) phosphite
! formula:  C_{42}H_{63}O_3P
! trivial:  
! casrn:    31570-04-4
! inchikey: JKIJEFPNVSHHEI-UHFFFAOYSA-N
Hvpx___31570_04_4 =  8.9E+00                                  ! [atm] type: Q, ref: 2995
Hvpx___31570_04_4 =  8.3E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___31570_04_4 =  3.6E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___31570_04_4 =  9.4E-02                                  ! [atm] type: Q, ref: 2995

! species:  glyphosate
! formula:  C_3H_8NO_5P
! trivial:  
! casrn:    1071-83-6
! inchikey: XDDAORKBJWWYJS-UHFFFAOYSA-N
Hvpx____1071_83_6 =  3.1E-07                                  ! [atm] type: V, ref: 2614
Hvpx____1071_83_6 =  1.1E-07                                  ! [atm] type: ?, ref: 3549

! species:  krenite
! formula:  C_3H_{11}N_2O_4P
! trivial:  fosamine-ammonium
! casrn:    25954-13-6
! inchikey: OTSAMNSACVKIOJ-UHFFFAOYSA-N
Hvpx___25954_13_6 =  2.8E-08                                  ! [atm] type: V, ref: 3088

! species:  tabun
! formula:  C_5H_{11}N_2O_2P
! trivial:  
! casrn:    77-81-6
! inchikey: PJVJTCIRVMBVIA-UHFFFAOYSA-N
Hvpx______77_81_6 =  8.3E-03                                  ! [atm] type: V, ref: 3088
Hvpx______77_81_6 =  8.8E-04                                  ! [atm] type: ?, ref: 3393
Hvpx______77_81_6 =  8.4E-03                                  ! [atm] type: ?, ref: 3121

! species:  glufosinate-ammonium
! formula:  C_5H_{15}N_2O_4P
! trivial:  
! casrn:    77182-82-2
! inchikey: ZBMRKNMTMPPMMK-UHFFFAOYSA-N
Hvpx___77182_82_2 =  2.4E-09                                  ! [atm] type: X, ref: macbean2012

! species:  hexamethylphosphoramide
! formula:  C_6H_{18}N_3OP
! trivial:  
! casrn:    680-31-9
! inchikey: GNOIPBMMFNIUFM-UHFFFAOYSA-N
Hvpx_____680_31_9 =  1.1E-03                                  ! [atm] type: V, ref: 3586
Hvpx_____680_31_9 =  1.0E+03                                  ! [atm] type: Q, ref: 3586

! species:  monocrotophos
! formula:  C_7H_{14}NO_5P
! trivial:  
! casrn:    6923-22-4
! inchikey: KRTSDMXIXPKRQR-AATRIKPKSA-N
Hvpx____6923_22_4 =  3.6E-08                                  ! [atm] type: V, ref: 3088

! species:  dicrotophos
! formula:  C_8H_{16}NO_5P
! trivial:  
! casrn:    141-66-2
! inchikey: VEENJGZXVHKXNB-VOTSOKGWSA-N
Hvpx_____141_66_2 =  2.8E-06                                  ! [atm] type: V, ref: 2614
Hvpx_____141_66_2 =  7.0E-06                                  ! [atm] type: Q, ref: 3730
Hvpx_____141_66_2 =  5.4E-04                                  ! [atm] type: Q, ref: 3586
Hvpx_____141_66_2 =  2.8E-06                                  ! [atm] type: ?, ref: 3586

! species:  octamethyldiphosphoramide
! formula:  C_8H_{24}N_4O_3P_2
! trivial:  schradan
! casrn:    152-16-9
! inchikey: SZKKRCSOSQAJDE-UHFFFAOYSA-N
Hvpx_____152_16_9 =  3.5E-12                                  ! [atm] type: Q, ref: 3088

! species:  fyrol 6
! formula:  C_9H_{22}NO_5P
! trivial:  diethyl ((diethanolamino)methyl) phosphonate
! casrn:    2781-11-5
! inchikey: CCJKFLLIJCGHMO-UHFFFAOYSA-N
Hvpx____2781_11_5 =  8.9E-03                                  ! [atm] type: V, ref: 3088

! species:  diethyl 4-nitrophenyl phosphate
! formula:  C_{10}H_{14}NO_6P
! trivial:  paraoxon
! casrn:    311-45-5
! inchikey: WYMSBXTXOHUIGT-UHFFFAOYSA-N
Hvpx_____311_45_5 =  6.0E-06                                  ! [atm] type: V, ref: 3586
Hvpx_____311_45_5 =  3.4E-04                                  ! [atm] type: V, ref: 2452
Hvpx_____311_45_5 =  6.1E-03                                  ! [atm] type: Q, ref: 3586
Hvpx_____311_45_5 =  3.5E-05                                  ! [atm] type: Q, ref: 3088
Hvpx_____311_45_5 =  2.0E+00                                  ! [atm] type: ?, ref: 3393

! species:  dimethyl 4-nitrophenyl phosphate
! formula:  C_8H_{10}NO_6P
! trivial:  methyl paraoxon
! casrn:    950-35-6
! inchikey: BAFQDKPJKOLXFZ-UHFFFAOYSA-N
Hvpx_____950_35_6 =  5.0E-05                                  ! [atm] type: V, ref: 3090

! species:  buminafos
! formula:  C_{18}H_{38}NO_3P
! trivial:  
! casrn:    51249-05-9
! inchikey: NMBXMBCZBXUXAM-UHFFFAOYSA-N
Hvpx___51249_05_9 =  1.1E-01                                  ! [atm] type: ?, ref: 3087

! species:  methylphosphonyldifluoride
! formula:  CH_3F_2OP
! trivial:  
! casrn:    676-99-3
! inchikey: PQIOSYKVBBWRRI-UHFFFAOYSA-N
Hvpx_____676_99_3 =  1.2E+00                                  ! [atm] type: Q, ref: 3088

! species:  sarin
! formula:  C_4H_{10}FO_2P
! trivial:  
! casrn:    107-44-8
! inchikey: DYAHQFWOVKZOOW-UHFFFAOYSA-N
Hvpx_____107_44_8 =  3.2E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____107_44_8 =  5.1E-01                                  ! [atm] type: ?, ref: 3393
Hvpx_____107_44_8 =  3.0E-02                                  ! [atm] type: ?, ref: 3121

! species:  dimefox
! formula:  C_4H_{12}FN_2OP
! trivial:  
! casrn:    115-26-4
! inchikey: PGJBQBDNXAZHBP-UHFFFAOYSA-N
Hvpx_____115_26_4 =  1.2E-03                                  ! [atm] type: V, ref: 3088

! species:  isoflurophate
! formula:  C_6H_{14}FO_3P
! trivial:  diisopropyl fluorophosphate
! casrn:    55-91-4
! inchikey: MUCZHBLJLSDCSD-UHFFFAOYSA-N
Hvpx______55_91_4 =  1.8E-01                                  ! [atm] type: Q, ref: 3088
Hvpx______55_91_4 =  7.2E+03                                  ! [atm] type: ?, ref: 3393

! species:  cyclohexyl methylphosphonofluoridate
! formula:  C_7H_{14}FO_2P
! trivial:  cyclosarin
! casrn:    329-99-7
! inchikey: SNTRKUOVAPUGAY-UHFFFAOYSA-N
Hvpx_____329_99_7 =  1.5E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____329_99_7 =  1.5E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____329_99_7 =  1.3E-04                                  ! [atm] type: Q, ref: 3586

! species:  soman
! formula:  C_7H_{16}FO_2P
! trivial:  
! casrn:    96-64-0
! inchikey: GRXKLBBBQUKJJZ-UHFFFAOYSA-N
Hvpx______96_64_0 =  2.6E-01                                  ! [atm] type: V, ref: 3088
Hvpx______96_64_0 =  2.6E-01                                  ! [atm] type: ?, ref: 3393
Hvpx______96_64_0 =  2.5E-01                                  ! [atm] type: ?, ref: 3121

! species:  mipafox
! formula:  C_6H_{16}FN_2OP
! trivial:  
! casrn:    371-86-8
! inchikey: UOSHUBFBCPGQAY-UHFFFAOYSA-N
Hvpx_____371_86_8 =  1.7E-04                                  ! [atm] type: V, ref: 3088

! species:  phenylphosphonous dichloride
! formula:  C_6H_5Cl_2P
! trivial:  
! casrn:    644-97-3
! inchikey: IMDXZWRLUZPMDH-UHFFFAOYSA-N
Hvpx_____644_97_3 =  8.3E-01                                  ! [atm] type: Q, ref: 2995
Hvpx_____644_97_3 =  2.1E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____644_97_3 =  8.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____644_97_3 =  1.7E+01                                  ! [atm] type: Q, ref: 2995

! species:  chlorphonium chloride
! formula:  C_{19}H_{32}Cl_3P
! trivial:  
! casrn:    115-78-6
! inchikey: IVHVNMLJNASKHW-UHFFFAOYSA-M
Hvpx_____115_78_6 =  1.9E-08                                  ! [atm] type: ?, ref: 3087

! species:  triclofos
! formula:  C_2H_4Cl_3O_4P
! trivial:  
! casrn:    306-52-5
! inchikey: YYQRGCZGSFRBAM-UHFFFAOYSA-N
Hvpx_____306_52_5 =  7.8E-09                                  ! [atm] type: Q, ref: 3088

! species:  (2-chloroethyl)-phosphonic acid
! formula:  C_2H_6ClO_3P
! trivial:  ethephon
! casrn:    16672-87-0
! inchikey: UDPGUMQDCGORJQ-UHFFFAOYSA-N
Hvpx___16672_87_0 =  7.9E-09                                  ! [atm] type: V, ref: 3088
Hvpx___16672_87_0 =  7.9E-08                                  ! [atm] type: ?, ref: 3549

! species:  1-hydroxy-2,2,2-trichloroethylphosphonic acid, dimethyl ester
! formula:  C_4H_8Cl_3O_4P
! trivial:  trichlorfon
! casrn:    52-68-6
! inchikey: NFACJZMKEDPNKN-UHFFFAOYSA-N
Hvpx______52_68_6 =  1.0E-02                                  ! [atm] type: M, ref: 3404
Hvpx______52_68_6 =  6.8E-04                                  ! [atm] type: M, ref: 2229
Hvpx______52_68_6 =  9.4E-07                                  ! [atm] type: V, ref: 3088
Hvpx______52_68_6 =  9.1E-07                                  ! [atm] type: V, ref: 2614
Hvpx______52_68_6 =  9.3E-07                                  ! [atm] type: V, ref: 1157
Hvpx______52_68_6 =  9.4E-05                                  ! [atm] type: X, ref: barcelo97
Hvpx______52_68_6 =  1.4E-02                                  ! [atm] type: Q, ref: 3729

! species:  dimethyl-2,2-dichlorovinyl phosphate
! formula:  C_4H_7Cl_2O_4P
! trivial:  dichlorvos
! casrn:    62-73-7
! inchikey: OEBRKCOSUFCWJD-UHFFFAOYSA-N
Hvpx______62_73_7 =  1.4E-02 * EXP( -11000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2438
Hvpx______62_73_7 =  6.8E+00                                  ! [atm] type: M, ref: 2229
Hvpx______62_73_7 =  3.2E-02                                  ! [atm] type: V, ref: 3088
Hvpx______62_73_7 =  1.1E-01                                  ! [atm] type: V, ref: 2614
Hvpx______62_73_7 =  1.0E-01                                  ! [atm] type: V, ref: 1157
Hvpx______62_73_7 =  1.1E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx______62_73_7 =  5.6E-01                                  ! [atm] type: Q, ref: 3729

! species:  tris(2-chloroethyl) phosphate
! formula:  C_6H_{12}Cl_3O_4P
! trivial:  
! casrn:    115-96-8
! inchikey: HQUQLFOMPYWACS-UHFFFAOYSA-N
Hvpx_____115_96_8 =  1.8E-01                                  ! [atm] type: V, ref: 3088

! species:  cyclophosphamide
! formula:  C_7H_{15}Cl_2N_2O_2P
! trivial:  
! casrn:    50-18-0
! inchikey: CMSMOCZEIVJLDB-UHFFFAOYSA-N
Hvpx______50_18_0 =  7.7E-07                                  ! [atm] type: Q, ref: 3088

! species:  ifosfamide
! formula:  C_7H_{15}Cl_2N_2O_2P
! trivial:  
! casrn:    3778-73-2
! inchikey: HOMGKSMUEGBAAB-UHFFFAOYSA-N
Hvpx____3778_73_2 =  7.7E-07                                  ! [atm] type: Q, ref: 3088

! species:  butonate
! formula:  C_8H_{14}Cl_3O_5P
! trivial:  
! casrn:    126-22-7
! inchikey: BKAQXYNWONVOAX-UHFFFAOYSA-N
Hvpx_____126_22_7 =  1.7E-05                                  ! [atm] type: Q, ref: 3088

! species:  phosphoric acid, 7-chlorobicyclo[3.2.0]hepta-2,6-dien-6-yl dimethyl ester
! formula:  C_9H_{12}ClO_4P
! trivial:  heptenophos
! casrn:    23560-59-0
! inchikey: GBAWQJNHVWMTLU-UHFFFAOYSA-N
Hvpx___23560_59_0 =  9.4E-03                                  ! [atm] type: V, ref: 3088
Hvpx___23560_59_0 =  1.3E-04                                  ! [atm] type: ?, ref: 3087

! species:  tris(2,3-dichloropropyl) phosphate
! formula:  C_9H_{15}Cl_6O_4P
! trivial:  
! casrn:    78-43-3
! inchikey: JZZBTMVTLBHJHL-UHFFFAOYSA-N
Hvpx______78_43_3 =  1.4E-04                                  ! [atm] type: Q, ref: 3088

! species:  tris(1,3-dichloroisopropyl)phosphate
! formula:  C_9H_{15}Cl_6O_4P
! trivial:  
! casrn:    13674-87-8
! inchikey: ASLWPAWFJZFCKF-UHFFFAOYSA-N
Hvpx___13674_87_8 =  1.4E-04                                  ! [atm] type: Q, ref: 3088
Hvpx___13674_87_8 =  1.5E-04                                  ! [atm] type: Q, ref: 2995
Hvpx___13674_87_8 =  1.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx___13674_87_8 =  4.1E-08                                  ! [atm] type: Q, ref: 2995
Hvpx___13674_87_8 =  1.8E-01                                  ! [atm] type: Q, ref: 2995

! species:  tris(2-chloropropyl) phosphate
! formula:  C_9H_{18}Cl_3O_4P
! trivial:  
! casrn:    6145-73-9
! inchikey: GTRSAMFYSUBAGN-UHFFFAOYSA-N
Hvpx____6145_73_9 =  3.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx____6145_73_9 =  4.0E+02                                  ! [atm] type: Q, ref: 2995
Hvpx____6145_73_9 =  8.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx____6145_73_9 =  1.5E+00                                  ! [atm] type: Q, ref: 2995

! species:  tri-(2-chloroisopropyl)phosphate
! formula:  C_9H_{18}Cl_3O_4P
! trivial:  
! casrn:    13674-84-5
! inchikey: KVMPUXDNESXNOH-UHFFFAOYSA-N
Hvpx___13674_84_5 =  3.3E-03                                  ! [atm] type: Q, ref: 3088
Hvpx___13674_84_5 =  3.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___13674_84_5 =  2.8E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___13674_84_5 =  1.5E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___13674_84_5 =  1.5E+00                                  ! [atm] type: Q, ref: 2995

! species:  bis(2-chloropropyl) 2-chloro-1-methylethyl phosphate
! formula:  C_9H_{18}Cl_3O_4P
! trivial:  
! casrn:    76649-15-5
! inchikey: WDLBXPUJJVVRGX-UHFFFAOYSA-N
Hvpx___76649_15_5 =  3.3E-03                                  ! [atm] type: Q, ref: 2995
Hvpx___76649_15_5 =  7.6E+02                                  ! [atm] type: Q, ref: 2995
Hvpx___76649_15_5 =  9.8E-05                                  ! [atm] type: Q, ref: 2995
Hvpx___76649_15_5 =  1.5E+00                                  ! [atm] type: Q, ref: 2995

! species:  tetrachlorvinphos
! formula:  C_{10}H_9Cl_4O_4P
! trivial:  
! casrn:    22248-79-9
! inchikey: UBCKGWBNUIFUST-YHYXMXQVSA-N
Hvpx___22248_79_9 =  1.0E-04                                  ! [atm] type: V, ref: 3088
Hvpx___22248_79_9 =  2.3E-04                                  ! [atm] type: ?, ref: 3766
Hvpx___22248_79_9 =  1.0E-04                                  ! [atm] type: ?, ref: 3087

! species:  dimethylvinphos
! formula:  C_{10}H_{10}Cl_3O_4P
! trivial:  
! casrn:    2274-67-1
! inchikey: QSGNQELHULIMSJ-UHFFFAOYSA-N
Hvpx____2274_67_1 =  1.8E-03                                  ! [atm] type: ?, ref: 3766

! species:  diphenyl chlorophosphate
! formula:  C_{12}H_{10}ClO_3P
! trivial:  
! casrn:    2524-64-3
! inchikey: BHIIGRBMZRSDRI-UHFFFAOYSA-N
Hvpx____2524_64_3 =  1.5E+01                                  ! [atm] type: ?, ref: 3393

! species:  chlorfenvinphos
! formula:  C_{12}H_{14}Cl_3O_4P
! trivial:  clofenvinfos
! casrn:    470-90-6
! inchikey: FSAVDKDHPDSCTO-XYOKQWHBSA-N
Hvpx_____470_90_6 =  1.6E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____470_90_6 =  1.6E-04                                  ! [atm] type: V, ref: 2614
Hvpx_____470_90_6 =  1.5E-04                                  ! [atm] type: V, ref: 1157
Hvpx_____470_90_6 =  1.5E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx_____470_90_6 =  1.3E-01                                  ! [atm] type: Q, ref: 3729

! species:  crufomate
! formula:  C_{12}H_{19}ClNO_3P
! trivial:  ruelene
! casrn:    299-86-5
! inchikey: BOFHKBLZOYVHSI-UHFFFAOYSA-N
Hvpx_____299_86_5 =  1.4E-04                                  ! [atm] type: Q, ref: 3088

! species:  phosdiphen
! formula:  C_{14}H_{11}O_4Cl_4P
! trivial:  
! casrn:    36519-00-3
! inchikey: HEMINMLPKZELPP-UHFFFAOYSA-N
Hvpx___36519_00_3 =  2.1E+01                                  ! [atm] type: ?, ref: 3087

! species:  phosphamidon
! formula:  C_{10}H_{19}ClNO_5P
! trivial:  
! casrn:    13171-21-6
! inchikey: RGCLLPNLLBQHPF-HJWRWDBZSA-N
Hvpx___13171_21_6 =  2.0E-01                                  ! [atm] type: V, ref: 2614
Hvpx___13171_21_6 =  2.0E-01                                  ! [atm] type: V, ref: 1157
Hvpx___13171_21_6 =  8.3E-08                                  ! [atm] type: Q, ref: 3088

! species:  tris(2,3-dibromo-1-propyl) phosphate
! formula:  C_9H_{15}Br_6O_4P
! trivial:  
! casrn:    126-72-7
! inchikey: PQYJRMFWJJONBO-UHFFFAOYSA-N
Hvpx_____126_72_7 =  1.4E+00                                  ! [atm] type: V, ref: 3088

! species:  naled
! formula:  C_4H_7Br_2Cl_2O_4P
! trivial:  
! casrn:    300-76-5
! inchikey: BUYMVQAILCEWRR-UHFFFAOYSA-N
Hvpx_____300_76_5 =  3.6E+00                                  ! [atm] type: V, ref: 3088

! species:  2-bromo-1,1-dimethylethyl 2-bromoethyl 2-chloroethyl phosphate
! formula:  C_9H_{18}Br_2ClO_4P
! trivial:  
! casrn:    125997-20-8
! inchikey: GZSKSYDWLZIPOX-UHFFFAOYSA-N
Hvpx__125997_20_8 =  3.6E-04                                  ! [atm] type: Q, ref: 2995
Hvpx__125997_20_8 =  4.3E+01                                  ! [atm] type: Q, ref: 2995
Hvpx__125997_20_8 =  1.2E-04                                  ! [atm] type: Q, ref: 2995
Hvpx__125997_20_8 =  6.6E-01                                  ! [atm] type: Q, ref: 2995

! species:  leptophos
! formula:  C_{13}H_{10}O_3BrCl_2P
! trivial:  
! casrn:    21609-90-5
! inchikey: CVRALZAYCYJELZ-UHFFFAOYSA-N
Hvpx___21609_90_5 =  1.5E-01                                  ! [atm] type: L, ref: 479
Hvpx___21609_90_5 =  1.5E-01                                  ! [atm] type: V, ref: 3088
Hvpx___21609_90_5 =  1.3E-01                                  ! [atm] type: V, ref: 2614
Hvpx___21609_90_5 =  1.4E-01                                  ! [atm] type: V, ref: 1157
Hvpx___21609_90_5 =  2.1E-02                                  ! [atm] type: Q, ref: 2521

! species:  tributyl phosphorotrithioite
! formula:  C_{12}H_{27}PS_3
! trivial:  
! casrn:    150-50-5
! inchikey: KLAPGAOQRZTCBI-UHFFFAOYSA-N
Hvpx_____150_50_5 =  1.3E+00                                  ! [atm] type: Q, ref: 3088
Hvpx_____150_50_5 =  1.3E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____150_50_5 =  9.2E+02                                  ! [atm] type: Q, ref: 2995
Hvpx_____150_50_5 =  3.7E+00                                  ! [atm] type: Q, ref: 2995
Hvpx_____150_50_5 =  1.1E+01                                  ! [atm] type: Q, ref: 2995

! species:  bis(2,6,6-trimethylbicyclo[3.1.1]hept-2-enyl) bis(2,6,6-trimethylbicyclo[3.1.1]hept-2-enyl)thiodiphosphonate
! formula:  C_{40}H_{60}P_2S_5
! trivial:  
! casrn:    68400-79-3
! inchikey: ZZMOHCWFHCHISQ-UHFFFAOYSA-N
Hvpx___68400_79_3 =  6.6E+03                                  ! [atm] type: Q, ref: 2995
Hvpx___68400_79_3 =  9.4E-06                                  ! [atm] type: Q, ref: 2995
Hvpx___68400_79_3 =  2.9E-06                                  ! [atm] type: Q, ref: 2995
Hvpx___68400_79_3 =  3.3E-03                                  ! [atm] type: Q, ref: 2995

! species:  thiometon
! formula:  C_6H_{15}O_2PS_3
! trivial:  
! casrn:    640-15-3
! inchikey: OPASCBHCTNRLRM-UHFFFAOYSA-N
Hvpx_____640_15_3 =  1.5E+00                                  ! [atm] type: V, ref: 3088

! species:  demeton-S-methyl sulfone
! formula:  C_6H_{15}O_5PS_2
! trivial:  
! casrn:    17040-19-6
! inchikey: PZIRJMYRYORVIT-UHFFFAOYSA-N
Hvpx___17040_19_6 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  oxydemeton-methyl
! formula:  C_6H_{15}O_4PS_2
! trivial:  
! casrn:    301-12-2
! inchikey: PMCVMORKVPSKHZ-UHFFFAOYSA-N
Hvpx_____301_12_2 =  8.9E-09                                  ! [atm] type: Q, ref: 3088

! species:  demeton-O-methyl
! formula:  C_6H_{15}O_3PS_2
! trivial:  
! casrn:    867-27-6
! inchikey: ZVZQKNVMDKSGGF-UHFFFAOYSA-N
Hvpx_____867_27_6 =  1.7E-01                                  ! [atm] type: ?, ref: 3766

! species:  demeton-S-methyl
! formula:  C_6H_{15}O_3PS_2
! trivial:  
! casrn:    919-86-8
! inchikey: WEBQKRLKWNIYKK-UHFFFAOYSA-N
Hvpx_____919_86_8 =  1.5E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____919_86_8 =  1.5E-03                                  ! [atm] type: V, ref: 2614

! species:  methacrifos
! formula:  C_7H_{13}O_5PS
! trivial:  
! casrn:    62610-77-9
! inchikey: NTAHCMPOMKHKEU-AATRIKPKSA-N
Hvpx___62610_77_9 =  5.2E-02                                  ! [atm] type: ?, ref: 3087

! species:  phorate
! formula:  C_7H_{17}O_2PS_3
! trivial:  
! casrn:    298-02-2
! inchikey: BULVZWIRKLYCBC-UHFFFAOYSA-N
Hvpx_____298_02_2 =  2.6E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____298_02_2 =  5.5E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____298_02_2 =  3.6E-01                                  ! [atm] type: V, ref: 1157
Hvpx_____298_02_2 =  3.6E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx_____298_02_2 =  1.2E+01                                  ! [atm] type: Q, ref: 3729

! species:  salithion
! formula:  C_8H_9O_3PS
! trivial:  
! casrn:    3811-49-2
! inchikey: OUNSASXJZHBGAI-UHFFFAOYSA-N
Hvpx____3811_49_2 =  1.2E+00                                  ! [atm] type: ?, ref: 3087

! species:  acetoxon
! formula:  C_8H_{17}O_5PS
! trivial:  
! casrn:    2425-25-4
! inchikey: ZRCQYAQOWIQUBA-UHFFFAOYSA-N
Hvpx____2425_25_4 =  4.2E-05                                  ! [atm] type: Q, ref: 3088

! species:  demeton-O
! formula:  C_8H_{19}O_3PS_2
! trivial:  
! casrn:    298-03-3
! inchikey: DGLIBALSRMUQDD-UHFFFAOYSA-N
Hvpx_____298_03_3 =  9.0E-02                                  ! [atm] type: ?, ref: 3087

! species:  demeton-S
! formula:  C_8H_{19}O_3PS_2
! trivial:  isosystox
! casrn:    126-75-0
! inchikey: GRPRVIYRYGLIJU-UHFFFAOYSA-N
Hvpx_____126_75_0 =  2.7E-03                                  ! [atm] type: V, ref: 3088

! species:  sulfotep
! formula:  C_8H_{20}O_5P_2S_2
! trivial:  
! casrn:    3689-24-5
! inchikey: XIUROWKZWPIAIB-UHFFFAOYSA-N
Hvpx____3689_24_5 =  2.4E-01                                  ! [atm] type: V, ref: 3088
Hvpx____3689_24_5 =  1.6E-01                                  ! [atm] type: V, ref: 2614
Hvpx____3689_24_5 =  5.5E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx____3689_24_5 =  1.2E+02                                  ! [atm] type: Q, ref: 3729

! species:  tetrakis(hydroxymethyl) phosphonium sulfate
! formula:  C_8H_{24}O_{12}P_2S
! trivial:  
! casrn:    55566-30-8
! inchikey: YIEDHPBKGZGLIK-UHFFFAOYSA-L
Hvpx___55566_30_8 =  9.4E-19                                  ! [atm] type: Q, ref: 3088

! species:  ethoprophos
! formula:  C_8H_{19}O_2PS_2
! trivial:  
! casrn:    13194-48-4
! inchikey: VJYFKVYYMZPMAB-UHFFFAOYSA-N
Hvpx___13194_48_4 =  9.0E-03                                  ! [atm] type: V, ref: 3088
Hvpx___13194_48_4 =  9.0E-03                                  ! [atm] type: V, ref: 2614

! species:  disulfoton
! formula:  C_8H_{19}O_2PS_3
! trivial:  
! casrn:    298-04-4
! inchikey: DOFZAZXDOSGAJZ-UHFFFAOYSA-N
Hvpx_____298_04_4 =  4.9E-02                                  ! [atm] type: L, ref: 2965
Hvpx_____298_04_4 =  1.2E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____298_04_4 =  1.2E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____298_04_4 =  1.2E-01                                  ! [atm] type: V, ref: 1157
Hvpx_____298_04_4 =  1.2E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx_____298_04_4 =  8.6E-01                                  ! [atm] type: Q, ref: 3729

! species:  endothion
! formula:  C_9H_{13}O_6PS
! trivial:  
! casrn:    2778-04-3
! inchikey: YCAGGFXSFQFVQL-UHFFFAOYSA-N
Hvpx____2778_04_3 =  3.6E-07                                  ! [atm] type: Q, ref: 3088

! species:  terbufos
! formula:  C_9H_{21}O_2PS_3
! trivial:  
! casrn:    13071-79-9
! inchikey: XLNZEKHULJKQBA-UHFFFAOYSA-N
Hvpx___13071_79_9 =  1.3E+00                                  ! [atm] type: V, ref: 3088
Hvpx___13071_79_9 =  1.3E+00                                  ! [atm] type: V, ref: 2614
Hvpx___13071_79_9 =  5.5E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx___13071_79_9 =  1.8E+00                                  ! [atm] type: Q, ref: 3729

! species:  ethion
! formula:  C_9H_{22}O_4P_2S_4
! trivial:  
! casrn:    563-12-2
! inchikey: RIZMRRKBZQXFOY-UHFFFAOYSA-N
Hvpx_____563_12_2 =  2.1E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____563_12_2 =  1.7E-02                                  ! [atm] type: V, ref: 2614
Hvpx_____563_12_2 =  1.7E-02                                  ! [atm] type: V, ref: 1157
Hvpx_____563_12_2 =  1.8E+00                                  ! [atm] type: X, ref: barcelo97
Hvpx_____563_12_2 =  8.1E-01                                  ! [atm] type: Q, ref: 3729

! species:  fonofos
! formula:  C_{10}H_{15}OPS_2
! trivial:  
! casrn:    944-22-9
! inchikey: KVGLBTYUCJYMND-UHFFFAOYSA-N
Hvpx_____944_22_9 =  3.9E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____944_22_9 =  3.9E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____944_22_9 =  3.8E-01                                  ! [atm] type: V, ref: 2614
Hvpx_____944_22_9 =  2.9E-06                                  ! [atm] type: Q, ref: 3586

! species:  fenthion
! formula:  C_{10}H_{15}O_3PS_2
! trivial:  
! casrn:    55-38-9
! inchikey: PNVJTZOFSHSLTO-UHFFFAOYSA-N
Hvpx______55_38_9 =  8.1E-02                                  ! [atm] type: V, ref: 3088
Hvpx______55_38_9 =  1.2E-02                                  ! [atm] type: V, ref: 2614
Hvpx______55_38_9 =  1.2E-02                                  ! [atm] type: V, ref: 1157
Hvpx______55_38_9 =  1.2E+00                                  ! [atm] type: X, ref: barcelo97
Hvpx______55_38_9 =  2.9E-01                                  ! [atm] type: Q, ref: 3729

! species:  malathion
! formula:  C_{10}H_{19}O_6PS_2
! trivial:  
! casrn:    121-75-5
! inchikey: JXSJBGJIGXNWCI-UHFFFAOYSA-N
Hvpx_____121_75_5 =  2.8E-02 * EXP(  -8300.*(1./T-1./298.15)) ! [atm] type: L, ref: 3518
Hvpx_____121_75_5 =  3.8E-02                                  ! [atm] type: M, ref: 3404
Hvpx_____121_75_5 =  8.2E-04                                  ! [atm] type: M, ref: 2538
Hvpx_____121_75_5 =  2.7E-04                                  ! [atm] type: M, ref: 1144
Hvpx_____121_75_5 =  1.2E-03                                  ! [atm] type: V, ref: 2614
Hvpx_____121_75_5 =  2.2E-03                                  ! [atm] type: V, ref: 1995
Hvpx_____121_75_5 =  1.3E-03                                  ! [atm] type: V, ref: 1157
Hvpx_____121_75_5 =  3.2E-03                                  ! [atm] type: V, ref: 2452
Hvpx_____121_75_5 =  7.5E-05                                  ! [atm] type: V, ref: 2455
Hvpx_____121_75_5 =  2.1E-02                                  ! [atm] type: V, ref: 479
Hvpx_____121_75_5 =  1.3E-01                                  ! [atm] type: X, ref: barcelo97
Hvpx_____121_75_5 =  3.1E-01                                  ! [atm] type: Q, ref: 3729
Hvpx_____121_75_5 =  3.6E-03                                  ! [atm] type: Q, ref: 2521
Hvpx_____121_75_5 =  2.7E-04                                  ! [atm] type: ?, ref: 3393

! species:  malaoxon
! formula:  C_{10}H_{19}O_7PS
! trivial:  
! casrn:    1634-78-2
! inchikey: WSORODGWGUUOBO-UHFFFAOYSA-N
Hvpx____1634_78_2 =  1.0E-07                                  ! [atm] type: Q, ref: 3088

! species:  cadusafos
! formula:  C_{10}H_{23}O_2PS_2
! trivial:  
! casrn:    95465-99-9
! inchikey: KXRPCFINVWWFHQ-UHFFFAOYSA-N
Hvpx___95465_99_9 =  7.2E-02                                  ! [atm] type: V, ref: 3088

! species:  fensulfothion
! formula:  C_{11}H_{17}O_4PS_2
! trivial:  
! casrn:    115-90-2
! inchikey: XDNBJTQLKCIJBV-UHFFFAOYSA-N
Hvpx_____115_90_2 =  7.7E-06                                  ! [atm] type: Q, ref: 3088

! species:  phenthoate
! formula:  C_{12}H_{17}O_4PS_2
! trivial:  
! casrn:    2597-03-7
! inchikey: XAMUDJHXFNRLCY-UHFFFAOYSA-N
Hvpx____2597_03_7 =  3.0E-04                                  ! [atm] type: V, ref: 3088
Hvpx____2597_03_7 =  5.6E-03                                  ! [atm] type: V, ref: 2614

! species:  sulprofos
! formula:  C_{12}H_{19}O_2PS_3
! trivial:  
! casrn:    35400-43-2
! inchikey: JXHJNEJVUNHLKO-UHFFFAOYSA-N
Hvpx___35400_43_2 =  4.8E-02                                  ! [atm] type: V, ref: 3088
Hvpx___35400_43_2 =  4.8E-02                                  ! [atm] type: ?, ref: 3087

! species:  S,S,S-tributyl phosphorotrithioate
! formula:  C_{12}H_{27}OPS_3
! trivial:  DEF
! casrn:    78-48-8
! inchikey: ZOKXUAHZSKEQSS-UHFFFAOYSA-N
Hvpx______78_48_8 =  1.6E-02                                  ! [atm] type: M, ref: 1144
Hvpx______78_48_8 =  4.3E-01                                  ! [atm] type: V, ref: 2452

! species:  aspon
! formula:  C_{12}H_{28}O_5P_2S_2
! trivial:  tetrapropyl dithiopyrophosphate
! casrn:    3244-90-4
! inchikey: IIDFEIDMIKSJSV-UHFFFAOYSA-N
Hvpx____3244_90_4 =  8.9E-02                                  ! [atm] type: ?, ref: 3766

! species:  iprobenphos
! formula:  C_{13}H_{21}O_3PS
! trivial:  
! casrn:    26087-47-8
! inchikey: FCOAHACKGGIURQ-UHFFFAOYSA-N
Hvpx___26087_47_8 =  2.1E-03                                  ! [atm] type: M, ref: 2538

! species:  propaphos
! formula:  C_{13}H_{21}O_4PS
! trivial:  
! casrn:    7292-16-2
! inchikey: PWYIUEFFPNVCMW-UHFFFAOYSA-N
Hvpx____7292_16_2 =  1.6E-04                                  ! [atm] type: V, ref: 3586
Hvpx____7292_16_2 =  1.6E-04                                  ! [atm] type: V, ref: 3088
Hvpx____7292_16_2 =  1.5E-02                                  ! [atm] type: Q, ref: 3586
Hvpx____7292_16_2 =  1.6E-04                                  ! [atm] type: ?, ref: 3087

! species:  edifenphos
! formula:  C_{14}H_{15}O_2PS_2
! trivial:  
! casrn:    17109-49-8
! inchikey: AWZOLILCOUMRDG-UHFFFAOYSA-N
Hvpx___17109_49_8 =  1.1E-04                                  ! [atm] type: M, ref: 2538
Hvpx___17109_49_8 =  4.2E-05                                  ! [atm] type: V, ref: 3088
Hvpx___17109_49_8 =  3.9E-02                                  ! [atm] type: V, ref: 2614

! species:  systox
! formula:  C_{16}H_{38}O_6P_2S_4
! trivial:  
! casrn:    8065-48-3
! inchikey: FAXIJTUDSBIMHY-UHFFFAOYSA-N
Hvpx____8065_48_3 =  1.0E-02                                  ! [atm] type: V, ref: 3088

! species:  temefos
! formula:  C_{16}H_{20}O_6P_2S_3
! trivial:  temephos
! casrn:    3383-96-8
! inchikey: WWJZWCUNLNYYAU-UHFFFAOYSA-N
Hvpx____3383_96_8 =  3.2E-01                                  ! [atm] type: X, ref: barcelo97
Hvpx____3383_96_8 =  1.1E-04                                  ! [atm] type: Q, ref: 3088
Hvpx____3383_96_8 =  1.2E-01                                  ! [atm] type: Q, ref: 3729

! species:  methamidophos
! formula:  C_2H_8NOPS_2
! trivial:  
! casrn:    10265-92-6
! inchikey: NNKVPIKMPCQWCG-UHFFFAOYSA-N
Hvpx___10265_92_6 =  4.8E-05                                  ! [atm] type: Q, ref: 3088

! species:  acephate
! formula:  C_4H_{10}NO_3PS
! trivial:  
! casrn:    30560-19-1
! inchikey: YASYVMFAVPKPKE-UHFFFAOYSA-N
Hvpx___30560_19_1 =  2.8E-08                                  ! [atm] type: V, ref: 3088
Hvpx___30560_19_1 =  2.8E-08                                  ! [atm] type: V, ref: 2614
Hvpx___30560_19_1 =  2.9E-06                                  ! [atm] type: X, ref: barcelo97
Hvpx___30560_19_1 =  1.2E-03                                  ! [atm] type: Q, ref: 3729

! species:  dimethoate
! formula:  C_5H_{12}NO_3PS_2
! trivial:  
! casrn:    60-51-5
! inchikey: MCWXGJITAZMZEV-UHFFFAOYSA-N
Hvpx______60_51_5 =  1.3E-05                                  ! [atm] type: V, ref: 3088
Hvpx______60_51_5 =  6.3E-05                                  ! [atm] type: V, ref: 2614
Hvpx______60_51_5 =  6.0E-05                                  ! [atm] type: V, ref: 1157
Hvpx______60_51_5 =  6.1E-03                                  ! [atm] type: X, ref: barcelo97
Hvpx______60_51_5 =  1.0E-03                                  ! [atm] type: Q, ref: 3729

! species:  omethoate
! formula:  C_5H_{12}NO_4PS
! trivial:  
! casrn:    1113-02-6
! inchikey: PZXOQEXFMJCDPG-UHFFFAOYSA-N
Hvpx____1113_02_6 =  2.5E-09                                  ! [atm] type: Q, ref: 3088

! species:  methidathion
! formula:  C_6H_{11}N_2O_4PS_3
! trivial:  
! casrn:    950-37-8
! inchikey: MEBQXILRKZHVCX-UHFFFAOYSA-N
Hvpx_____950_37_8 =  4.0E-04                                  ! [atm] type: V, ref: 3088
Hvpx_____950_37_8 =  9.5E-05                                  ! [atm] type: V, ref: 2452
Hvpx_____950_37_8 =  9.3E-05                                  ! [atm] type: V, ref: 2968

! species:  fosthietan
! formula:  C_6H_{12}NO_3PS_2
! trivial:  
! casrn:    21548-32-3
! inchikey: RHJOIOVESMTJEK-UHFFFAOYSA-N
Hvpx___21548_32_3 =  2.3E-06                                  ! [atm] type: V, ref: 3088
Hvpx___21548_32_3 =  2.3E-06                                  ! [atm] type: ?, ref: 3087

! species:  formothion
! formula:  C_6H_{12}NO_4PS_2
! trivial:  
! casrn:    2540-82-1
! inchikey: AIKKULXCBHRFOS-UHFFFAOYSA-N
Hvpx____2540_82_1 =  6.1E-06                                  ! [atm] type: V, ref: 3088

! species:  menazon
! formula:  C_6H_{12}N_5O_2PS_2
! trivial:  
! casrn:    78-57-9
! inchikey: SUYHYHLFUHHVJQ-UHFFFAOYSA-N
Hvpx______78_57_9 =  8.3E-05                                  ! [atm] type: V, ref: 3088

! species:  ethoate-methyl
! formula:  C_6H_{14}NO_3PS_2
! trivial:  
! casrn:    116-01-8
! inchikey: DICRHEJCQXFJBY-UHFFFAOYSA-N
Hvpx_____116_01_8 =  1.5E-06                                  ! [atm] type: Q, ref: 3088

! species:  glyphosate-trimesium
! formula:  C_6H_{16}NO_5PS
! trivial:  
! casrn:    81591-81-3
! inchikey: RUCAXVJJQQJZGU-UHFFFAOYSA-M
Hvpx___81591_81_3 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  phosfolan
! formula:  C_7H_{14}NO_3PS_2
! trivial:  cyolane
! casrn:    947-02-4
! inchikey: ILBONRFSLATCRE-UHFFFAOYSA-N
Hvpx_____947_02_4 =  1.1E-05                                  ! [atm] type: ?, ref: 3766

! species:  methylparathion
! formula:  C_8H_{10}NO_5PS
! trivial:  parathion-methyl
! casrn:    298-00-0
! inchikey: RLBIQVVOMOPOHC-UHFFFAOYSA-N
Hvpx_____298_00_0 =  1.1E-02                                  ! [atm] type: L, ref: 479
Hvpx_____298_00_0 =  3.2E-02                                  ! [atm] type: M, ref: 3404
Hvpx_____298_00_0 =  2.1E-03                                  ! [atm] type: M, ref: 893
Hvpx_____298_00_0 =  3.4E-03                                  ! [atm] type: M, ref: 1144
Hvpx_____298_00_0 =  5.5E-03                                  ! [atm] type: M, ref: 2454
Hvpx_____298_00_0 =  1.2E-02                                  ! [atm] type: V, ref: 2614
Hvpx_____298_00_0 =  5.5E-03                                  ! [atm] type: V, ref: 3090
Hvpx_____298_00_0 =  1.2E-02                                  ! [atm] type: V, ref: 1157
Hvpx_____298_00_0 =  6.0E-03                                  ! [atm] type: V, ref: 2452
Hvpx_____298_00_0 =  2.6E-04                                  ! [atm] type: V, ref: 2455
Hvpx_____298_00_0 =  3.3E-03                                  ! [atm] type: V, ref: 2454
Hvpx_____298_00_0 =  4.3E+00                                  ! [atm] type: V, ref: 3945
Hvpx_____298_00_0 =  1.2E+00                                  ! [atm] type: X, ref: barcelo97
Hvpx_____298_00_0 =  2.6E-02                                  ! [atm] type: Q, ref: 3729
Hvpx_____298_00_0 =  3.6E-02                                  ! [atm] type: Q, ref: 2521

! species:  zinophos
! formula:  C_8H_{13}N_2O_3PS
! trivial:  thionazin
! casrn:    297-97-2
! inchikey: IRVDMKJLOCGUBJ-UHFFFAOYSA-N
Hvpx_____297_97_2 =  5.4E-02                                  ! [atm] type: V, ref: 2614
Hvpx_____297_97_2 =  4.5E-02                                  ! [atm] type: V, ref: 1157
Hvpx_____297_97_2 =  4.8E-02                                  ! [atm] type: ?, ref: 3087

! species:  vamidothion
! formula:  C_8H_{18}NO_4PS_2
! trivial:  
! casrn:    2275-23-2
! inchikey: LESVOLZBIFDZGS-UHFFFAOYSA-N
Hvpx____2275_23_2 =  4.8E-11                                  ! [atm] type: Q, ref: 3088

! species:  cyanophos
! formula:  C_9H_{10}NO_3PS
! trivial:  
! casrn:    2636-26-2
! inchikey: SCKHCCSZFPSHGR-UHFFFAOYSA-N
Hvpx____2636_26_2 =  3.0E-01                                  ! [atm] type: V, ref: 3088

! species:  fenitrothion
! formula:  C_9H_{12}NO_5PS
! trivial:  
! casrn:    122-14-5
! inchikey: ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
Hvpx_____122_14_5 =  6.6E-03                                  ! [atm] type: M, ref: 2538
Hvpx_____122_14_5 =  5.1E-02                                  ! [atm] type: M, ref: 2454
Hvpx_____122_14_5 =  6.6E-04                                  ! [atm] type: V, ref: 2614
Hvpx_____122_14_5 =  2.0E-03                                  ! [atm] type: V, ref: 1157
Hvpx_____122_14_5 =  2.0E-02                                  ! [atm] type: V, ref: 479
Hvpx_____122_14_5 =  3.7E-02                                  ! [atm] type: V, ref: 2454
Hvpx_____122_14_5 =  2.0E-01                                  ! [atm] type: X, ref: barcelo97
Hvpx_____122_14_5 =  1.2E-02                                  ! [atm] type: Q, ref: 3729
Hvpx_____122_14_5 =  1.0E-01                                  ! [atm] type: Q, ref: 2521

! species:  fosthiazate-1
! formula:  C_9H_{18}NO_3PS_2
! trivial:  
! casrn:    98886-44-3
! inchikey: DUFVKSUJRWYZQP-UHFFFAOYSA-N
Hvpx___98886_44_3 =  7.3E-03                                  ! [atm] type: X, ref: macbean2012
Hvpx___98886_44_3 =  5.2E-06                                  ! [atm] type: Q, ref: 3730
Hvpx___98886_44_3 =  9.6E-06                                  ! [atm] type: Q, ref: 3586
Hvpx___98886_44_3 =  9.6E-06                                  ! [atm] type: ?, ref: 3586
Hvpx___98886_44_3 =  9.6E-06                                  ! [atm] type: ?, ref: 3549

! species:  prothoate
! formula:  C_9H_{20}NO_3PS_2
! trivial:  trimethoate
! casrn:    2275-18-5
! inchikey: QTXHFDHVLBDJIO-UHFFFAOYSA-N
Hvpx____2275_18_5 =  3.7E-06                                  ! [atm] type: Q, ref: 3088

! species:  amiton
! formula:  C_{10}H_{24}NO_3PS
! trivial:  
! casrn:    78-53-5
! inchikey: PJISLFCKHOHLLP-UHFFFAOYSA-N
Hvpx______78_53_5 =  1.6E-05                                  ! [atm] type: ?, ref: 3393

! species:  azinphos-methyl
! formula:  C_{10}H_{12}N_3O_3PS_2
! trivial:  
! casrn:    86-50-0
! inchikey: CJJOSEISRRTUQB-UHFFFAOYSA-N
Hvpx______86_50_0 =  1.6E-04                                  ! [atm] type: V, ref: 3088
Hvpx______86_50_0 =  1.7E-04                                  ! [atm] type: V, ref: 2614
Hvpx______86_50_0 =  1.7E-03                                  ! [atm] type: V, ref: 1157
Hvpx______86_50_0 =  1.8E-01                                  ! [atm] type: X, ref: barcelo97
Hvpx______86_50_0 =  1.2E-02                                  ! [atm] type: Q, ref: 3729

! species:  parathion
! formula:  C_{10}H_{14}NO_5PS
! trivial:  E 605
! casrn:    56-38-2
! inchikey: LCCNCVORNKJIRZ-UHFFFAOYSA-N
Hvpx______56_38_2 =  4.7E-03                                  ! [atm] type: M, ref: 1144
Hvpx______56_38_2 =  7.7E-03                                  ! [atm] type: V, ref: 2614
Hvpx______56_38_2 =  1.1E-02                                  ! [atm] type: V, ref: 2973
Hvpx______56_38_2 =  1.1E-02                                  ! [atm] type: V, ref: 2967
Hvpx______56_38_2 =  6.6E-03                                  ! [atm] type: V, ref: 1157
Hvpx______56_38_2 =  1.3E-02                                  ! [atm] type: V, ref: 2452
Hvpx______56_38_2 =  3.3E-04                                  ! [atm] type: V, ref: 2455
Hvpx______56_38_2 =  6.7E-02                                  ! [atm] type: V, ref: 479
Hvpx______56_38_2 =  4.1E-02                                  ! [atm] type: V, ref: 2968
Hvpx______56_38_2 =  5.2E-02                                  ! [atm] type: V, ref: 2979
Hvpx______56_38_2 =  1.6E-02                                  ! [atm] type: X, ref: macbean2012
Hvpx______56_38_2 =  6.8E-01                                  ! [atm] type: X, ref: barcelo97
Hvpx______56_38_2 =  1.7E+00                                  ! [atm] type: Q, ref: 3729
Hvpx______56_38_2 =  8.3E-02                                  ! [atm] type: Q, ref: 2521
Hvpx______56_38_2 =  1.6E-02                                  ! [atm] type: ?, ref: 3393

! species:  isoparathion
! formula:  C_{10}H_{14}NO_5PS
! trivial:  
! casrn:    597-88-6
! inchikey: BGWJTLLALYACOG-UHFFFAOYSA-N
Hvpx_____597_88_6 =  8.9E-03                                  ! [atm] type: ?, ref: 3766

! species:  etrimfos
! formula:  C_{10}H_{17}N_2O_4PS
! trivial:  
! casrn:    38260-54-7
! inchikey: FGIWFCGDPUIBEZ-UHFFFAOYSA-N
Hvpx___38260_54_7 =  3.4E-02                                  ! [atm] type: V, ref: 3088

! species:  propetamphos
! formula:  C_{10}H_{20}NO_4PS
! trivial:  
! casrn:    31218-83-4
! inchikey: BZNDWPRGXNILMS-VQHVLOKHSA-N
Hvpx___31218_83_4 =  2.7E-03                                  ! [atm] type: V, ref: 3088

! species:  mecarbam
! formula:  C_{10}H_{20}NO_5PS_2
! trivial:  
! casrn:    2595-54-2
! inchikey: KLGMSAOQDHLCOS-UHFFFAOYSA-N
Hvpx____2595_54_2 =  5.0E-05                                  ! [atm] type: Q, ref: 3088

! species:  phosmet
! formula:  C_{11}H_{12}NO_4PS_2
! trivial:  
! casrn:    732-11-6
! inchikey: LMNZTLDVJIUSHT-UHFFFAOYSA-N
Hvpx_____732_11_6 =  4.6E-04                                  ! [atm] type: V, ref: 3088
Hvpx_____732_11_6 =  4.2E-04                                  ! [atm] type: V, ref: 2614
Hvpx_____732_11_6 =  5.2E-04                                  ! [atm] type: V, ref: 1157
Hvpx_____732_11_6 =  5.3E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx_____732_11_6 =  1.5E-01                                  ! [atm] type: Q, ref: 3729
Hvpx_____732_11_6 =  7.4E-04                                  ! [atm] type: ?, ref: 3549

! species:  pirimiphos methyl
! formula:  C_{11}H_{20}N_3O_3PS
! trivial:  
! casrn:    29232-93-7
! inchikey: QHOQHJPRIBSPCY-UHFFFAOYSA-N
Hvpx___29232_93_7 =  3.3E-02                                  ! [atm] type: V, ref: 3088
Hvpx___29232_93_7 =  3.3E-02                                  ! [atm] type: ?, ref: 3549

! species:  imicyafos
! formula:  C_{11}H_{21}N_4O_2PS
! trivial:  
! casrn:    140163-89-9
! inchikey: PPCUNNLZTNMXFO-UHFFFAOYSA-N
Hvpx__140163_89_9 =  3.6E-10                                  ! [atm] type: ?, ref: 3766

! species:  Agent VX
! formula:  C_{11}H_{26}NO_2PS
! trivial:  
! casrn:    50782-69-9
! inchikey: JJIUCEJQJXNMHV-UHFFFAOYSA-N
Hvpx___50782_69_9 =  6.0E-04                                  ! [atm] type: V, ref: 3088
Hvpx___50782_69_9 =  1.9E-04                                  ! [atm] type: ?, ref: 3393
Hvpx___50782_69_9 =  4.5E-04                                  ! [atm] type: ?, ref: 3121

! species:  ditalimfos
! formula:  C_{12}H_{14}NO_4PS
! trivial:  
! casrn:    5131-24-8
! inchikey: MTBZIGHNGSTDJV-UHFFFAOYSA-N
Hvpx____5131_24_8 =  2.4E-04                                  ! [atm] type: ?, ref: 3766

! species:  quinalphos
! formula:  C_{12}H_{15}N_2O_3PS
! trivial:  
! casrn:    13593-03-8
! inchikey: JYQUHIFYBATCCY-UHFFFAOYSA-N
Hvpx___13593_03_8 =  5.1E-03                                  ! [atm] type: ?, ref: 3766

! species:  phoxim
! formula:  C_{12}H_{15}N_2O_3PS
! trivial:  
! casrn:    14816-18-3
! inchikey: ATROHALUCMTWTB-UHFFFAOYSA-N
Hvpx___14816_18_3 =  1.1E-02                                  ! [atm] type: ?, ref: 3766

! species:  triazophos
! formula:  C_{12}H_{16}N_3O_3PS
! trivial:  
! casrn:    24017-47-8
! inchikey: AMFGTOFWMRQMEM-UHFFFAOYSA-N
Hvpx___24017_47_8 =  1.7E-03                                  ! [atm] type: V, ref: 3088

! species:  azinphos-ethyl
! formula:  C_{12}H_{16}N_3O_3PS_2
! trivial:  
! casrn:    2642-71-9
! inchikey: RQVGAIADHNPSME-UHFFFAOYSA-N
Hvpx____2642_71_9 =  5.5E-03                                  ! [atm] type: V, ref: 3088

! species:  diazinon
! formula:  C_{12}H_{21}N_2O_3PS
! trivial:  dimpylate
! casrn:    333-41-5
! inchikey: FHIVAFMUCKRCQO-UHFFFAOYSA-N
Hvpx_____333_41_5 =  1.2E-02                                  ! [atm] type: L, ref: 2965
Hvpx_____333_41_5 =  5.9E-03                                  ! [atm] type: L, ref: 2965
Hvpx_____333_41_5 =  3.6E-02 * EXP( -12000.*(1./T-1./298.15)) ! [atm] type: M, ref: 2818
Hvpx_____333_41_5 =  5.0E-02                                  ! [atm] type: M, ref: 2538
Hvpx_____333_41_5 =  6.5E-03                                  ! [atm] type: M, ref: 901
Hvpx_____333_41_5 =  6.2E-03                                  ! [atm] type: M, ref: 900
Hvpx_____333_41_5 =  2.2E-02                                  ! [atm] type: V, ref: 2614
Hvpx_____333_41_5 =  3.7E-02                                  ! [atm] type: V, ref: 1157
Hvpx_____333_41_5 =  8.1E-02                                  ! [atm] type: V, ref: 2452
Hvpx_____333_41_5 =  5.3E-03                                  ! [atm] type: V, ref: 2455
Hvpx_____333_41_5 =  4.1E-02                                  ! [atm] type: V, ref: 2968
Hvpx_____333_41_5 =  3.7E+00                                  ! [atm] type: X, ref: barcelo97
Hvpx_____333_41_5 =  3.2E+00                                  ! [atm] type: Q, ref: 3729
Hvpx_____333_41_5 =  3.8E-03                                  ! [atm] type: Q, ref: 1145

! species:  isoxathion
! formula:  C_{13}H_{16}NO_4PS
! trivial:  
! casrn:    18854-01-8
! inchikey: SDMSCIWHRZJSRN-UHFFFAOYSA-N
Hvpx___18854_01_8 =  3.4E-03                                  ! [atm] type: Q, ref: 3088

! species:  butamifos
! formula:  C_{13}H_{21}N_2O_4PS
! trivial:  
! casrn:    36335-67-8
! inchikey: OEYOMNZEMCPTKN-UHFFFAOYSA-N
Hvpx___36335_67_8 =  1.6E-02                                  ! [atm] type: ?, ref: 3766

! species:  fenamiphos
! formula:  C_{13}H_{22}NO_3PS
! trivial:  
! casrn:    22224-92-6
! inchikey: ZCJPOPBZHLUFHF-UHFFFAOYSA-N
Hvpx___22224_92_6 =  5.0E-04                                  ! [atm] type: V, ref: 3088

! species:  tebupirimfos
! formula:  C_{13}H_{23}N_2O_3PS
! trivial:  
! casrn:    96182-53-5
! inchikey: AWYOMXWDGWUJHS-UHFFFAOYSA-N
Hvpx___96182_53_5 =  1.5E-01                                  ! [atm] type: V, ref: 3088

! species:  pirimiphos ethyl
! formula:  C_{13}H_{24}N_3O_3PS
! trivial:  
! casrn:    23505-41-1
! inchikey: TZBPRYIIJAJUOY-UHFFFAOYSA-N
Hvpx___23505_41_1 =  3.0E+00                                  ! [atm] type: V, ref: 3088

! species:  bensulide
! formula:  C_{14}H_{24}NO_4PS_3
! trivial:  
! casrn:    741-58-2
! inchikey: RRNIZKPFKNDSRS-UHFFFAOYSA-N
Hvpx_____741_58_2 =  5.0E-04                                  ! [atm] type: V, ref: 3088

! species:  ethyl $p$-nitrophenyl benzenethiophosphonate
! formula:  C_{14}H_{14}NO_4PS
! trivial:  
! casrn:    2104-64-5
! inchikey: AIGRXSNSLVJMEA-UHFFFAOYSA-N
Hvpx____2104_64_5 =  2.5E-02                                  ! [atm] type: V, ref: 3586
Hvpx____2104_64_5 =  2.5E-02                                  ! [atm] type: V, ref: 3088
Hvpx____2104_64_5 =  1.3E-08                                  ! [atm] type: Q, ref: 3586

! species:  pyridaphenthion
! formula:  C_{14}H_{17}N_2O_4PS
! trivial:  
! casrn:    119-12-0
! inchikey: CXJSOEPQXUCJSA-UHFFFAOYSA-N
Hvpx_____119_12_0 =  1.1E-05                                  ! [atm] type: ?, ref: 3766

! species:  piperophos
! formula:  C_{14}H_{28}NO_3PS_2
! trivial:  
! casrn:    24151-93-7
! inchikey: UNLYSVIDNRIVFJ-UHFFFAOYSA-N
Hvpx___24151_93_7 =  6.2E-04                                  ! [atm] type: ?, ref: 3766

! species:  isofenphos
! formula:  C_{15}H_{24}NO_4PS
! trivial:  
! casrn:    25311-71-1
! inchikey: HOQADATXFBOEGG-UHFFFAOYSA-N
Hvpx___25311_71_1 =  4.6E-03                                  ! [atm] type: V, ref: 2614
Hvpx___25311_71_1 =  2.3E-03                                  ! [atm] type: X, ref: macbean2012
Hvpx___25311_71_1 =  5.3E-04                                  ! [atm] type: X, ref: barcelo97
Hvpx___25311_71_1 =  7.9E-01                                  ! [atm] type: Q, ref: 3729
Hvpx___25311_71_1 =  2.3E-03                                  ! [atm] type: ?, ref: 3087

! species:  chlormephos
! formula:  C_5H_{12}ClO_2PS_2
! trivial:  
! casrn:    24934-91-6
! inchikey: QGTYWWGEWOBMAK-UHFFFAOYSA-N
Hvpx___24934_91_6 =  1.6E+01                                  ! [atm] type: V, ref: 3586
Hvpx___24934_91_6 =  1.6E+01                                  ! [atm] type: V, ref: 3088
Hvpx___24934_91_6 =  1.7E-06                                  ! [atm] type: Q, ref: 3586

! species:  chlorethoxyfos
! formula:  C_6H_{11}Cl_4O_3PS
! trivial:  
! casrn:    54593-83-8
! inchikey: XFDJMIHUAHSGKG-UHFFFAOYSA-N
Hvpx___54593_83_8 =  2.3E-01                                  ! [atm] type: Q, ref: 3088

! species:  ronnel
! formula:  C_8H_8O_3Cl_3PS
! trivial:  
! casrn:    299-84-3
! inchikey: JHJOOSLFWRRSGU-UHFFFAOYSA-N
Hvpx_____299_84_3 =  1.1E+00                                  ! [atm] type: L, ref: 479
Hvpx_____299_84_3 =  3.1E+01                                  ! [atm] type: V, ref: 2614
Hvpx_____299_84_3 =  1.8E+00                                  ! [atm] type: V, ref: 1157
Hvpx_____299_84_3 =  9.6E+00                                  ! [atm] type: Q, ref: 2521

! species:  tolclofos-methyl
! formula:  C_9H_{11}Cl_2O_3PS
! trivial:  
! casrn:    57018-04-9
! inchikey: OBZIQQJJIKNWNO-UHFFFAOYSA-N
Hvpx___57018_04_9 =  3.1E+01                                  ! [atm] type: V, ref: 2614
Hvpx___57018_04_9 =  2.0E-01                                  ! [atm] type: ?, ref: 3549

! species:  methyl trithion
! formula:  C_9H_{12}ClO_2PS_3
! trivial:  
! casrn:    953-17-3
! inchikey: OUCCVXVYGFBXSV-UHFFFAOYSA-N
Hvpx_____953_17_3 =  5.5E-03                                  ! [atm] type: Q, ref: 3088

! species:  trichloronate
! formula:  C_{10}H_{12}Cl_3O_2PS
! trivial:  
! casrn:    327-98-0
! inchikey: ANIAQSUBRGXWLS-UHFFFAOYSA-N
Hvpx_____327_98_0 =  6.2E-01                                  ! [atm] type: V, ref: 3586
Hvpx_____327_98_0 =  6.1E-01                                  ! [atm] type: V, ref: 3088
Hvpx_____327_98_0 =  2.1E-05                                  ! [atm] type: Q, ref: 3586
Hvpx_____327_98_0 =  7.3E-03                                  ! [atm] type: ?, ref: 3087

! species:  dichlofenthion
! formula:  C_{10}H_{13}Cl_2O_3PS
! trivial:  
! casrn:    97-17-6
! inchikey: WGOWCPGHOCIHBW-UHFFFAOYSA-N
Hvpx______97_17_6 =  5.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx______97_17_6 =  5.3E+01                                  ! [atm] type: V, ref: 3088
Hvpx______97_17_6 =  1.7E+04                                  ! [atm] type: V, ref: 2614
Hvpx______97_17_6 =  1.7E+04                                  ! [atm] type: V, ref: 1157
Hvpx______97_17_6 =  3.6E-02                                  ! [atm] type: Q, ref: 3586

! species:  prothiofos
! formula:  C_{11}H_{15}Cl_2O_2PS_2
! trivial:  
! casrn:    34643-46-4
! inchikey: FITIWKDOCAUBQD-UHFFFAOYSA-N
Hvpx___34643_46_4 =  1.6E+00                                  ! [atm] type: ?, ref: 3766

! species:  chlorthiophos
! formula:  C_{11}H_{15}Cl_2O_3PS_2
! trivial:  
! casrn:    21923-23-9
! inchikey: JAZJVWLGNLCNDD-UHFFFAOYSA-N
Hvpx___21923_23_9 =  6.6E-02                                  ! [atm] type: Q, ref: 3088

! species:  carbophenothion
! formula:  C_{11}H_{16}ClO_2PS_3
! trivial:  
! casrn:    786-19-6
! inchikey: VEDTXTNSFWUXGQ-UHFFFAOYSA-N
Hvpx_____786_19_6 =  1.1E-02                                  ! [atm] type: V, ref: 3088
Hvpx_____786_19_6 =  2.5E-02                                  ! [atm] type: V, ref: 1157

! species:  coumaphos
! formula:  C_{14}H_{16}ClO_5PS
! trivial:  
! casrn:    56-72-4
! inchikey: BXNANOICGRISHX-UHFFFAOYSA-N
Hvpx______56_72_4 =  6.1E-03                                  ! [atm] type: V, ref: 3088

! species:  methylchlorpyrifos
! formula:  C_7H_7NO_3Cl_3PS
! trivial:  
! casrn:    5598-13-0
! inchikey: HRBKVYFZANMGRE-UHFFFAOYSA-N
Hvpx____5598_13_0 =  1.3E-01                                  ! [atm] type: V, ref: 3088
Hvpx____5598_13_0 =  2.2E-01                                  ! [atm] type: V, ref: 2614
Hvpx____5598_13_0 =  1.9E-01                                  ! [atm] type: V, ref: 1157
Hvpx____5598_13_0 =  1.7E-01                                  ! [atm] type: V, ref: 479
Hvpx____5598_13_0 =  8.3E-01                                  ! [atm] type: Q, ref: 2521
Hvpx____5598_13_0 =  1.3E-01                                  ! [atm] type: ?, ref: 3549

! species:  dicapthon
! formula:  C_8H_9NO_5ClPS
! trivial:  
! casrn:    2463-84-5
! inchikey: OTKXWJHPGBRXCR-UHFFFAOYSA-N
Hvpx____2463_84_5 =  5.3E-03                                  ! [atm] type: V, ref: 3088
Hvpx____2463_84_5 =  1.3E-02                                  ! [atm] type: V, ref: 2614
Hvpx____2463_84_5 =  1.3E-02                                  ! [atm] type: V, ref: 1157
Hvpx____2463_84_5 =  1.2E-02                                  ! [atm] type: V, ref: 479
Hvpx____2463_84_5 =  8.3E-02                                  ! [atm] type: Q, ref: 2521

! species:  chlorthion
! formula:  C_8H_9ClNO_5PS
! trivial:  
! casrn:    500-28-7
! inchikey: NZNRRXXETLSZRO-UHFFFAOYSA-N
Hvpx_____500_28_7 =  2.2E-03                                  ! [atm] type: V, ref: 3088
Hvpx_____500_28_7 =  2.2E-03                                  ! [atm] type: ?, ref: 3087

! species:  azamethiphos
! formula:  C_9H_{10}ClN_2O_5PS
! trivial:  
! casrn:    35575-96-3
! inchikey: VNKBTWQZTQIWDV-UHFFFAOYSA-N
Hvpx___35575_96_3 =  1.8E-06                                  ! [atm] type: ?, ref: 3766

! species:  isazophos
! formula:  C_9H_{17}ClN_3O_3PS
! trivial:  
! casrn:    42509-80-8
! inchikey: XRHGWAGWAHHFLF-UHFFFAOYSA-N
Hvpx___42509_80_8 =  2.9E-02                                  ! [atm] type: V, ref: 3088
Hvpx___42509_80_8 =  5.0E-03                                  ! [atm] type: V, ref: 2968
Hvpx___42509_80_8 =  7.6E-03                                  ! [atm] type: ?, ref: 3087

! species:  chlorpyrifos
! formula:  C_9H_{11}Cl_3NO_3PS
! trivial:  
! casrn:    2921-88-2
! inchikey: SBPBAQFWLVIOKP-UHFFFAOYSA-N
Hvpx____2921_88_2 =  3.1E-01                                  ! [atm] type: L, ref: 2965
Hvpx____2921_88_2 =  2.6E-01                                  ! [atm] type: L, ref: 2965
Hvpx____2921_88_2 =  2.5E+00 * EXP(  -7800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2814
Hvpx____2921_88_2 =  1.8E-01                                  ! [atm] type: M, ref: 893
Hvpx____2921_88_2 =  2.3E-01                                  ! [atm] type: M, ref: 1144
Hvpx____2921_88_2 =  6.0E-01                                  ! [atm] type: V, ref: 2614
Hvpx____2921_88_2 =  3.3E-01                                  ! [atm] type: V, ref: 2967
Hvpx____2921_88_2 =  9.6E-01                                  ! [atm] type: V, ref: 1157
Hvpx____2921_88_2 =  6.8E-01                                  ! [atm] type: V, ref: 2452
Hvpx____2921_88_2 =  9.7E+01                                  ! [atm] type: X, ref: barcelo97
Hvpx____2921_88_2 =  1.6E-01                                  ! [atm] type: C, ref: 3088
Hvpx____2921_88_2 =  4.0E-01                                  ! [atm] type: C, ref: 3073
Hvpx____2921_88_2 =  5.5E+00                                  ! [atm] type: Q, ref: 3729
Hvpx____2921_88_2 =  2.5E+00                                  ! [atm] type: Q, ref: 2521
Hvpx____2921_88_2 =  2.2E-03                                  ! [atm] type: Q, ref: 1145
Hvpx____2921_88_2 =  2.6E-01                                  ! [atm] type: ?, ref: 3549

! species:  chlorphoxim
! formula:  C_{12}H_{14}ClN_2O_3PS
! trivial:  
! casrn:    14816-20-7
! inchikey: GQKRUMZWUHSLJF-NTCAYCPXSA-N
Hvpx___14816_20_7 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  phosazetim
! formula:  C_{14}H_{11}Cl_2N_2O_4PS
! trivial:  
! casrn:    4104-14-7
! inchikey: XIBXUAZIZXDFTG-UHFFFAOYSA-N
Hvpx____4104_14_7 =  2.7E-04                                  ! [atm] type: Q, ref: 3088

! species:  dialifor
! formula:  C_{14}H_{17}ClNO_4PS_2
! trivial:  
! casrn:    10311-84-9
! inchikey: MUMQYXACQUZOFP-UHFFFAOYSA-N
Hvpx___10311_84_9 =  1.0E-02                                  ! [atm] type: V, ref: 3088
Hvpx___10311_84_9 =  7.6E-02                                  ! [atm] type: V, ref: 2614
Hvpx___10311_84_9 =  7.6E-02                                  ! [atm] type: V, ref: 1157

! species:  pyraclofos
! formula:  C_{14}H_{18}ClN_2O_3PS
! trivial:  
! casrn:    77458-01-6
! inchikey: QHGVXILFMXYDRS-UHFFFAOYSA-N
Hvpx___77458_01_6 =  2.4E-05                                  ! [atm] type: ?, ref: 3766

! species:  bromophos
! formula:  C_8H_8BrCl_2O_3PS
! trivial:  
! casrn:    2104-96-3
! inchikey: NYQDCVLCJXRDSK-UHFFFAOYSA-N
Hvpx____2104_96_3 =  5.3E+00                                  ! [atm] type: V, ref: 3088
Hvpx____2104_96_3 =  4.9E+00                                  ! [atm] type: ?, ref: 3087

! species:  bromophos-ethyl
! formula:  C_{10}H_{12}BrCl_2O_3PS
! trivial:  
! casrn:    4824-78-6
! inchikey: KWGUFOITWDSNQY-UHFFFAOYSA-N
Hvpx____4824_78_6 =  8.9E-01                                  ! [atm] type: Q, ref: 3088

! species:  profenofos
! formula:  C_{11}H_{15}BrClO_3PS
! trivial:  
! casrn:    41198-08-7
! inchikey: QYMMJNLHFKGANY-UHFFFAOYSA-N
Hvpx___41198_08_7 =  1.2E-03                                  ! [atm] type: V, ref: 3088
Hvpx___41198_08_7 =  8.7E-04                                  ! [atm] type: V, ref: 2614

! species:  iodofenphos
! formula:  C_8H_8Cl_2IO_3PS
! trivial:  
! casrn:    18181-70-9
! inchikey: LFVLUOAHQIVABZ-UHFFFAOYSA-N
Hvpx___18181_70_9 =  2.5E-01                                  ! [atm] type: V, ref: 3088
Hvpx___18181_70_9 =  2.4E-11                                  ! [atm] type: ?, ref: 3087

! species:  sesone
! formula:  C_8H_7Cl_2NaO_5S
! trivial:  2,4-dichlorophenoxyethyl sulfate
! casrn:    136-78-7
! inchikey: KISFEBPWFCGRGN-UHFFFAOYSA-M
Hvpx_____136_78_7 =  1.4E-06                                  ! [atm] type: Q, ref: 3088

! species:  iodosulfuron-methyl-sodium
! formula:  C_{14}H_{14}IN_5O_6SNa
! trivial:  
! casrn:    144550-36-7
! inchikey: JUJFQMPKBJPSFZ-UHFFFAOYSA-M
Hvpx__144550_36_7 =  1.3E-11                                  ! [atm] type: ?, ref: 3549

! species:  propoxycarbazone-sodium
! formula:  C_{15}H_{17}N_4O_7NaS
! trivial:  
! casrn:    181274-15-7
! inchikey: JRQGDDUXDKCWRF-UHFFFAOYSA-M
Hvpx__181274_15_7 =  5.5E-11                                  ! [atm] type: ?, ref: 3549

! species:  dioctyl sulfosuccinatesodium salt
! formula:  C_{20}H_{37}NaO_7S
! trivial:  bis(2-ethylhexyl) sodium sulfosuccinate
! casrn:    577-11-7
! inchikey: APSBXTVYXVQYAB-UHFFFAOYSA-M
Hvpx_____577_11_7 =  2.8E-07                                  ! [atm] type: Q, ref: 3088

! species:  dodecylbenzenesulfonic acid sodium salt
! formula:  C_{18}H_{29}NaO_3S
! trivial:  sodium dodecylbenzenesulfonate
! casrn:    25155-30-0
! inchikey: BWUAQXVVJWAXHR-UHFFFAOYSA-M
Hvpx___25155_30_0 =  3.5E-03                                  ! [atm] type: Q, ref: 3088

! species:  D\&C yellow 10
! formula:  C_{20}H_{17}NO_8Na_2S_2
! trivial:  
! casrn:    8004-92-0
! inchikey: NYMFWSWVZMTZQO-UHFFFAOYSA-L
Hvpx____8004_92_0 =  1.6E-15                                  ! [atm] type: Q, ref: 3088

! species:  D\&C yellow 8
! formula:  C_{20}H_{10}Na_2O_5
! trivial:  fluorescein sodium
! casrn:    518-47-8
! inchikey: NJDNXYGOVLYJHP-UHFFFAOYSA-L
Hvpx_____518_47_8 =  1.5E-11                                  ! [atm] type: Q, ref: 3088

! species:  D\&C black 1
! formula:  C_{22}H_{14}N_6Na_2O_9S_2
! trivial:  amido black 10B
! casrn:    1064-48-8
! inchikey: HKBVRFLHNUEVRO-DWTBGCDMSA-L
Hvpx____1064_48_8 =  6.6E-27                                  ! [atm] type: Q, ref: 3088

! species:  D\&C green 5
! formula:  C_{28}H_{20}N_2Na_2O_8S_2
! trivial:  
! casrn:    4403-90-1
! inchikey: FPAYXBWMYIMERV-UHFFFAOYSA-L
Hvpx____4403_90_1 =  1.8E-24                                  ! [atm] type: Q, ref: 3088

! species:  FD\&C green 2
! formula:  C_{37}H_{34}N_2Na_2O_9S3
! trivial:  
! casrn:    5141-20-8
! inchikey: DGOBMKYRQHEFGQ-UHFFFAOYSA-L
Hvpx____5141_20_8 =  7.7E-32                                  ! [atm] type: Q, ref: 3088

! species:  fosetyl-aluminum
! formula:  C_6H_{18}AlO_9P_3
! trivial:  
! casrn:    39148-24-8
! inchikey: ZKZMJOFIHHZSRW-UHFFFAOYSA-K
Hvpx___39148_24_8 =  1.8E-10                                  ! [atm] type: V, ref: 3088
Hvpx___39148_24_8 =  1.7E-10                                  ! [atm] type: ?, ref: 3549

! species:  tetramethylsilane
! formula:  C_4H_{12}Si
! trivial:  
! casrn:    75-76-3
! inchikey: CZDYPVPMEAXLPK-UHFFFAOYSA-N
Hvpx______75_76_3 =  2.4E+05                                  ! [atm] type: V, ref: 3586
Hvpx______75_76_3 =  2.4E+05                                  ! [atm] type: V, ref: 3088
Hvpx______75_76_3 =  3.9E+02                                  ! [atm] type: Q, ref: 3586
Hvpx______75_76_3 =  2.3E+05                                  ! [atm] type: ?, ref: 1500

! species:  tetraethylsilane
! formula:  C_8H_{20}Si
! trivial:  
! casrn:    631-36-7
! inchikey: VCZQFJFZMMALHB-UHFFFAOYSA-N
Hvpx_____631_36_7 =  1.5E+05                                  ! [atm] type: ?, ref: 1500

! species:  trimethylsilanol
! formula:  (CH_3)_3SiOH
! trivial:  TMS
! casrn:    1066-40-6
! inchikey: AAPLIUHOKVUFCC-UHFFFAOYSA-N
Hvpx____1066_40_6 =  7.8E+00                                  ! [atm] type: M, ref: 3094
Hvpx____1066_40_6 =  2.5E+00                                  ! [atm] type: V, ref: 3095

! species:  silicic acid
! formula:  Si(OH)_4
! trivial:  
! casrn:    10193-36-9
! inchikey: RMAQACBXLXPBSY-UHFFFAOYSA-N
Hvpx___10193_36_9 =  2.4E-11 * EXP( -14000.*(1./T-1./298.15)) ! [atm] type: M, ref: 3015

! species:  dimethylsilanediol
! formula:  C_2H_8O_2Si
! trivial:  
! casrn:    1066-42-8
! inchikey: XCLIHDJZGPCUBT-UHFFFAOYSA-N
Hvpx____1066_42_8 =  1.9E-04                                  ! [atm] type: M, ref: 3096
Hvpx____1066_42_8 =  1.9E+00                                  ! [atm] type: V, ref: 3095

! species:  tetramethyl silicate
! formula:  C_4H_{12}O_4Si
! trivial:  
! casrn:    681-84-5
! inchikey: LFQCEHFDDXELDD-UHFFFAOYSA-N
Hvpx_____681_84_5 =  3.5E-01                                  ! [atm] type: Q, ref: 3088

! species:  pentamethyldisiloxanol
! formula:  C_5H_{16}O_2Si_2
! trivial:  
! casrn:    56428-93-4
! inchikey: FGOLZCPMTWJPOU-UHFFFAOYSA-N
Hvpx___56428_93_4 =  7.4E+02                                  ! [atm] type: V, ref: 3095

! species:  tetraethyl silicate
! formula:  C_8H_{20}O_4Si
! trivial:  
! casrn:    78-10-4
! inchikey: BOTDANWDWHJENH-UHFFFAOYSA-N
Hvpx______78_10_4 =  1.1E+00                                  ! [atm] type: Q, ref: 3088

! species:  trimethoxysilylpropyl methacrylate
! formula:  C_{10}H_{20}O_5Si
! trivial:  
! casrn:    2530-85-0
! inchikey: XDLMVUHYZWKMMD-UHFFFAOYSA-N
Hvpx____2530_85_0 =  1.7E-02                                  ! [atm] type: Q, ref: 3088

! species:  hexamethyldisiloxane
! formula:  C_6H_{18}OSi_2
! trivial:  L2
! casrn:    107-46-0
! inchikey: UQEAIHBTYFGYIE-UHFFFAOYSA-N
Hvpx_____107_46_0 =  4.2E+05                                  ! [atm] type: M, ref: 3094
Hvpx_____107_46_0 =  3.3E+03                                  ! [atm] type: M, ref: 3081
Hvpx_____107_46_0 =  1.8E+03                                  ! [atm] type: M, ref: 3081
Hvpx_____107_46_0 =  7.1E+05                                  ! [atm] type: M, ref: 1573
Hvpx_____107_46_0 =  5.4E+05                                  ! [atm] type: V, ref: 3094
Hvpx_____107_46_0 =  5.4E+05                                  ! [atm] type: V, ref: 3081
Hvpx_____107_46_0 =  1.3E+05                                  ! [atm] type: V, ref: 3095
Hvpx_____107_46_0 =  2.5E+03                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_46_0 =  2.8E+03                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_46_0 =  2.5E+03                                  ! [atm] type: ?, ref: 3586

! species:  octamethyltrisiloxane
! formula:  C_8H_{24}O_2Si_3
! trivial:  L3
! casrn:    107-51-7
! inchikey: CXQXSVUQTKDNFP-UHFFFAOYSA-N
Hvpx_____107_51_7 =  1.6E+06                                  ! [atm] type: M, ref: 3094
Hvpx_____107_51_7 =  1.6E+05                                  ! [atm] type: M, ref: 3081
Hvpx_____107_51_7 =  2.0E+05                                  ! [atm] type: M, ref: 3081
Hvpx_____107_51_7 =  2.0E+06                                  ! [atm] type: V, ref: 3094
Hvpx_____107_51_7 =  2.0E+06                                  ! [atm] type: V, ref: 3081
Hvpx_____107_51_7 =  4.5E+05                                  ! [atm] type: V, ref: 3095
Hvpx_____107_51_7 =  4.1E+04                                  ! [atm] type: Q, ref: 3730
Hvpx_____107_51_7 =  2.2E+04                                  ! [atm] type: Q, ref: 3586
Hvpx_____107_51_7 =  1.8E+05                                  ! [atm] type: ?, ref: 3586

! species:  decamethyltetrasiloxane
! formula:  C_{10}H_{30}O_3Si_4
! trivial:  L4
! casrn:    141-62-8
! inchikey: YFCGDEUVHLPRCZ-UHFFFAOYSA-N
Hvpx_____141_62_8 =  3.8E+06                                  ! [atm] type: M, ref: 3094
Hvpx_____141_62_8 =  9.5E+05                                  ! [atm] type: M, ref: 3081
Hvpx_____141_62_8 =  1.5E+06                                  ! [atm] type: V, ref: 3094
Hvpx_____141_62_8 =  1.3E+06                                  ! [atm] type: V, ref: 3081
Hvpx_____141_62_8 =  1.8E+06                                  ! [atm] type: V, ref: 3095
Hvpx_____141_62_8 =  6.8E+05                                  ! [atm] type: Q, ref: 3730
Hvpx_____141_62_8 =  1.7E+05                                  ! [atm] type: Q, ref: 3586
Hvpx_____141_62_8 =  9.4E+05                                  ! [atm] type: ?, ref: 3586

! species:  dodecamethylpentasiloxane
! formula:  C_{12}H_{36}O_4Si_5
! trivial:  L5
! casrn:    141-63-9
! inchikey: FBZANXDWQAVSTQ-UHFFFAOYSA-N
Hvpx_____141_63_9 =  6.3E+06                                  ! [atm] type: V, ref: 3095

! species:  silthiofam
! formula:  C_{13}H_{21}NOSSi
! trivial:  
! casrn:    175217-20-6
! inchikey: MXMXHPPIGKYTAR-UHFFFAOYSA-N
Hvpx__175217_20_6 =  2.9E-01                                  ! [atm] type: ?, ref: 3549

! species:  tetradecamethylhexasiloxane
! formula:  C_{14}H_{42}O_5Si_6
! trivial:  L6
! casrn:    107-52-8
! inchikey: ADANNTOYRVPQLJ-UHFFFAOYSA-N
Hvpx_____107_52_8 =  2.0E+07                                  ! [atm] type: V, ref: 3095

! species:  hexadecamethylheptasiloxane
! formula:  C_{16}H_{48}O_6Si_7
! trivial:  L7
! casrn:    541-01-5
! inchikey: NFVSFLUJRHRSJG-UHFFFAOYSA-N
Hvpx_____541_01_5 =  7.1E+07                                  ! [atm] type: V, ref: 3095

! species:  octadecamethyloctasiloxane
! formula:  C_{18}H_{54}O_7Si_8
! trivial:  L8
! casrn:    556-69-4
! inchikey: VWGDPBQTSZDFMX-UHFFFAOYSA-N
Hvpx_____556_69_4 =  1.6E+08                                  ! [atm] type: V, ref: 3095

! species:  hexamethylcyclotrisiloxane
! formula:  C_6H_{18}O_3Si_3
! trivial:  D3
! casrn:    541-05-9
! inchikey: HTDJPCNNEPUOOQ-UHFFFAOYSA-N
Hvpx_____541_05_9 =  9.7E+04                                  ! [atm] type: V, ref: 3095
Hvpx_____541_05_9 =  8.6E+04                                  ! [atm] type: Q, ref: 3676
Hvpx_____541_05_9 =  3.4E+04                                  ! [atm] type: Q, ref: 3676
Hvpx_____541_05_9 =  2.2E+05                                  ! [atm] type: Q, ref: 3676

! species:  octamethylcyclotetrasiloxane
! formula:  C_8H_{24}O_4Si_4
! trivial:  D4
! casrn:    556-67-2
! inchikey: HMMGMWAXVFQUOA-UHFFFAOYSA-N
Hvpx_____556_67_2 =  7.4E+05                                  ! [atm] type: M, ref: 3094
Hvpx_____556_67_2 =  6.6E+05                                  ! [atm] type: M, ref: 3096
Hvpx_____556_67_2 =  3.3E+04                                  ! [atm] type: M, ref: 3081
Hvpx_____556_67_2 =  3.1E+04                                  ! [atm] type: M, ref: 3081
Hvpx_____556_67_2 =  4.6E+03                                  ! [atm] type: M, ref: 2456
Hvpx_____556_67_2 =  3.6E+05                                  ! [atm] type: V, ref: 3094
Hvpx_____556_67_2 =  3.5E+05                                  ! [atm] type: V, ref: 3081
Hvpx_____556_67_2 =  6.6E+05                                  ! [atm] type: V, ref: 3095
Hvpx_____556_67_2 =  2.0E+05                                  ! [atm] type: V, ref: 2456
Hvpx_____556_67_2 =  1.0E+06                                  ! [atm] type: Q, ref: 3676
Hvpx_____556_67_2 =  4.2E+05                                  ! [atm] type: Q, ref: 3676
Hvpx_____556_67_2 =  4.8E+05                                  ! [atm] type: Q, ref: 3676
Hvpx_____556_67_2 =  4.1E+04                                  ! [atm] type: Q, ref: 3730
Hvpx_____556_67_2 =  1.3E+04                                  ! [atm] type: Q, ref: 3586
Hvpx_____556_67_2 =  6.5E+03                                  ! [atm] type: ?, ref: 3586

! species:  decamethylcyclopentasiloxane
! formula:  C_{10}H_{30}O_5Si_5
! trivial:  D5
! casrn:    541-02-6
! inchikey: XMSXQFUHVRWGNA-UHFFFAOYSA-N
Hvpx_____541_02_6 =  2.0E+06                                  ! [atm] type: M, ref: 3094
Hvpx_____541_02_6 =  1.8E+06                                  ! [atm] type: M, ref: 3096
Hvpx_____541_02_6 =  1.6E+04                                  ! [atm] type: M, ref: 3081
Hvpx_____541_02_6 =  1.8E+04                                  ! [atm] type: M, ref: 3081
Hvpx_____541_02_6 =  7.3E+03                                  ! [atm] type: M, ref: 1573
Hvpx_____541_02_6 =  2.4E+05                                  ! [atm] type: V, ref: 3094
Hvpx_____541_02_6 =  2.5E+05                                  ! [atm] type: V, ref: 3081
Hvpx_____541_02_6 =  3.6E+05                                  ! [atm] type: V, ref: 3095
Hvpx_____541_02_6 =  2.3E+06                                  ! [atm] type: Q, ref: 3676
Hvpx_____541_02_6 =  4.4E+05                                  ! [atm] type: Q, ref: 3676
Hvpx_____541_02_6 =  1.8E+05                                  ! [atm] type: Q, ref: 3676

! species:  dodecamethylcyclohexasiloxane
! formula:  C_{12}H_{36}O_6Si_6
! trivial:  D6
! casrn:    540-97-6
! inchikey: IUMSDRXLFWAGNT-UHFFFAOYSA-N
Hvpx_____540_97_6 =  1.4E+06                                  ! [atm] type: M, ref: 3096
Hvpx_____540_97_6 =  8.0E+03                                  ! [atm] type: M, ref: 3081
Hvpx_____540_97_6 =  3.7E+03                                  ! [atm] type: M, ref: 3081
Hvpx_____540_97_6 =  1.4E+05                                  ! [atm] type: V, ref: 3081

! species:  tetramethyldisiloxane-1,3-diol
! formula:  C_4H_{14}O_3Si_2
! trivial:  
! casrn:    1118-15-6
! inchikey: PFEAZKFNWPIFCV-UHFFFAOYSA-N
Hvpx____1118_15_6 =  3.1E+00                                  ! [atm] type: V, ref: 3095

! species:  hexamethyltrisiloxane-1,5-diol
! formula:  C_6H_{20}O_4Si_3
! trivial:  
! casrn:    3663-50-1
! inchikey: XYBQTTAROZGWOZ-UHFFFAOYSA-N
Hvpx____3663_50_1 =  1.6E+02                                  ! [atm] type: V, ref: 3095

! species:  octamethyltetrasiloxane-1,7-diol
! formula:  C_8H_{26}O_5Si_4
! trivial:  
! casrn:    3081-07-0
! inchikey: VERNMKKMBJGSQB-UHFFFAOYSA-N
Hvpx____3081_07_0 =  2.0E+02                                  ! [atm] type: V, ref: 3095

! species:  pentamethylcyclotrisiloxanol
! formula:  C_5H_{16}O_4Si_3
! trivial:  D3OH
! casrn:    106916-50-1
! inchikey: OGNYSZJXUXVWRE-UHFFFAOYSA-N
Hvpx__106916_50_1 =  5.1E+02                                  ! [atm] type: V, ref: 3095
Hvpx__106916_50_1 =  4.4E+00                                  ! [atm] type: Q, ref: 3676
Hvpx__106916_50_1 =  2.0E+01                                  ! [atm] type: Q, ref: 3676
Hvpx__106916_50_1 =  3.7E+02                                  ! [atm] type: Q, ref: 3676

! species:  heptamethylcyclotetrasiloxanol
! formula:  C_7H_{22}O_5Si_4
! trivial:  D4OH
! casrn:    5290-02-8
! inchikey: MLGUQSFCJNMKPT-UHFFFAOYSA-N
Hvpx____5290_02_8 =  2.4E+03                                  ! [atm] type: V, ref: 3095
Hvpx____5290_02_8 =  5.2E+01                                  ! [atm] type: Q, ref: 3676
Hvpx____5290_02_8 =  5.1E+01                                  ! [atm] type: Q, ref: 3676
Hvpx____5290_02_8 =  4.2E+04                                  ! [atm] type: Q, ref: 3676

! species:  nonamethylcyclopentasiloxanol
! formula:  C_9H_{28}O_6Si_5
! trivial:  D5OH
! casrn:    5290-04-0
! inchikey: DKTKKERLEMHMHS-UHFFFAOYSA-N
Hvpx____5290_04_0 =  7.8E+03                                  ! [atm] type: V, ref: 3095
Hvpx____5290_04_0 =  1.2E+02                                  ! [atm] type: Q, ref: 3676
Hvpx____5290_04_0 =  2.7E+01                                  ! [atm] type: Q, ref: 3676
Hvpx____5290_04_0 =  1.2E+04                                  ! [atm] type: Q, ref: 3676

! species:  D3FormEst
! formula:  C_6H_{16}O_5Si_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: TZIXLALHTGGYNZ-UHFFFAOYSA-N
Hvpx_TZIXLALHTGGYNZ_UHFFFAOYSA_N =  2.0E+03                                  ! [atm] type: Q, ref: 3676
Hvpx_TZIXLALHTGGYNZ_UHFFFAOYSA_N =  1.7E+03                                  ! [atm] type: Q, ref: 3676
Hvpx_TZIXLALHTGGYNZ_UHFFFAOYSA_N =  3.1E+02                                  ! [atm] type: Q, ref: 3676

! species:  D3OHFormEst
! formula:  C_5H_{14}O_6Si_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: RMJPVGNUQFKGPC-UHFFFAOYSA-N
Hvpx_RMJPVGNUQFKGPC_UHFFFAOYSA_N =  1.0E-01                                  ! [atm] type: Q, ref: 3676
Hvpx_RMJPVGNUQFKGPC_UHFFFAOYSA_N =  5.5E-02                                  ! [atm] type: Q, ref: 3676
Hvpx_RMJPVGNUQFKGPC_UHFFFAOYSA_N =  4.5E+01                                  ! [atm] type: Q, ref: 3676

! species:  D3Hydroperoxide
! formula:  C_6H_{18}O_5Si_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: JKDUHABXPCJOJB-UHFFFAOYSA-N
Hvpx_JKDUHABXPCJOJB_UHFFFAOYSA_N =  7.9E+00                                  ! [atm] type: Q, ref: 3676
Hvpx_JKDUHABXPCJOJB_UHFFFAOYSA_N =  2.9E+02                                  ! [atm] type: Q, ref: 3676
Hvpx_JKDUHABXPCJOJB_UHFFFAOYSA_N =  6.1E+04                                  ! [atm] type: Q, ref: 3676

! species:  D3EtherHydroperoxide
! formula:  C_6H_{18}O_6Si_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: LHGAYMWHCKTFJV-UHFFFAOYSA-N
Hvpx_LHGAYMWHCKTFJV_UHFFFAOYSA_N =  6.5E-01                                  ! [atm] type: Q, ref: 3676
Hvpx_LHGAYMWHCKTFJV_UHFFFAOYSA_N =  2.8E+01                                  ! [atm] type: Q, ref: 3676
Hvpx_LHGAYMWHCKTFJV_UHFFFAOYSA_N =  3.2E+01                                  ! [atm] type: Q, ref: 3676

! species:  D3FormEst2
! formula:  C_6H_{14}O_7Si_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WKTLUKWDJJZJCN-UHFFFAOYSA-N
Hvpx_WKTLUKWDJJZJCN_UHFFFAOYSA_N =  4.5E+01                                  ! [atm] type: Q, ref: 3676
Hvpx_WKTLUKWDJJZJCN_UHFFFAOYSA_N =  5.9E+01                                  ! [atm] type: Q, ref: 3676
Hvpx_WKTLUKWDJJZJCN_UHFFFAOYSA_N =  2.7E+01                                  ! [atm] type: Q, ref: 3676

! species:  D3OH2O1
! formula:  C_4H_{14}O_5Si_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: UGEQNRIYBONGCP-UHFFFAOYSA-N
Hvpx_UGEQNRIYBONGCP_UHFFFAOYSA_N =  2.2E-04                                  ! [atm] type: Q, ref: 3676
Hvpx_UGEQNRIYBONGCP_UHFFFAOYSA_N =  1.9E-01                                  ! [atm] type: Q, ref: 3676
Hvpx_UGEQNRIYBONGCP_UHFFFAOYSA_N =  3.0E+00                                  ! [atm] type: Q, ref: 3676

! species:  D4FormEst
! formula:  C_8H_{22}O_6Si_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: PWVQOGDRWKITJQ-UHFFFAOYSA-N
Hvpx_PWVQOGDRWKITJQ_UHFFFAOYSA_N =  2.3E+04                                  ! [atm] type: Q, ref: 3676
Hvpx_PWVQOGDRWKITJQ_UHFFFAOYSA_N =  6.4E+03                                  ! [atm] type: Q, ref: 3676
Hvpx_PWVQOGDRWKITJQ_UHFFFAOYSA_N =  6.2E+03                                  ! [atm] type: Q, ref: 3676

! species:  D4OHFormEst
! formula:  C_7H_{20}O_7Si_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: AXBVNNKTZSENOJ-UHFFFAOYSA-N
Hvpx_AXBVNNKTZSENOJ_UHFFFAOYSA_N =  1.2E+00                                  ! [atm] type: Q, ref: 3676
Hvpx_AXBVNNKTZSENOJ_UHFFFAOYSA_N =  1.8E-01                                  ! [atm] type: Q, ref: 3676
Hvpx_AXBVNNKTZSENOJ_UHFFFAOYSA_N =  4.7E+03                                  ! [atm] type: Q, ref: 3676

! species:  1,1,1,3,5,5,5-heptamethyltrisiloxane
! formula:  C_7H_{22}O_2Si_3
! trivial:  
! casrn:    1873-88-7
! inchikey: QNWOFLWXQGHSRH-UHFFFAOYSA-N
Hvpx____1873_88_7 =  5.1E+06                                  ! [atm] type: ?, ref: 3766

! species:  D4Hydroperoxide
! formula:  C_8H_{24}O_6Si_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: IEOAKTNTPADFJB-UHFFFAOYSA-N
Hvpx_IEOAKTNTPADFJB_UHFFFAOYSA_N =  9.3E+01                                  ! [atm] type: Q, ref: 3676
Hvpx_IEOAKTNTPADFJB_UHFFFAOYSA_N =  1.3E+03                                  ! [atm] type: Q, ref: 3676
Hvpx_IEOAKTNTPADFJB_UHFFFAOYSA_N =  3.1E+05                                  ! [atm] type: Q, ref: 3676

! species:  D4EtherHydroperoxide
! formula:  C_8H_{24}O_7Si_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: BKBHFCQPJIYNBR-UHFFFAOYSA-N
Hvpx_BKBHFCQPJIYNBR_UHFFFAOYSA_N =  7.7E+00                                  ! [atm] type: Q, ref: 3676
Hvpx_BKBHFCQPJIYNBR_UHFFFAOYSA_N =  1.2E+02                                  ! [atm] type: Q, ref: 3676
Hvpx_BKBHFCQPJIYNBR_UHFFFAOYSA_N =  3.5E+04                                  ! [atm] type: Q, ref: 3676

! species:  D4FormEst2
! formula:  C_8H_{20}O_8Si_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: WJOJQLFAIHHNFX-UHFFFAOYSA-N
Hvpx_WJOJQLFAIHHNFX_UHFFFAOYSA_N =  5.3E+02                                  ! [atm] type: Q, ref: 3676
Hvpx_WJOJQLFAIHHNFX_UHFFFAOYSA_N =  3.0E+02                                  ! [atm] type: Q, ref: 3676
Hvpx_WJOJQLFAIHHNFX_UHFFFAOYSA_N =  1.9E+03                                  ! [atm] type: Q, ref: 3676

! species:  D4OH2
! formula:  C_6H_{20}O_6Si_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: ONAQLRRZBYFKLA-UHFFFAOYSA-N
Hvpx_ONAQLRRZBYFKLA_UHFFFAOYSA_N =  2.6E-03                                  ! [atm] type: Q, ref: 3676
Hvpx_ONAQLRRZBYFKLA_UHFFFAOYSA_N =  5.2E-01                                  ! [atm] type: Q, ref: 3676
Hvpx_ONAQLRRZBYFKLA_UHFFFAOYSA_N =  6.6E+03                                  ! [atm] type: Q, ref: 3676

! species:  D5FormEst
! formula:  C_{10}H_{28}O_7Si_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: IGERVNZEGVJPED-UHFFFAOYSA-N
Hvpx_IGERVNZEGVJPED_UHFFFAOYSA_N =  5.3E+04                                  ! [atm] type: Q, ref: 3676
Hvpx_IGERVNZEGVJPED_UHFFFAOYSA_N =  4.4E+03                                  ! [atm] type: Q, ref: 3676
Hvpx_IGERVNZEGVJPED_UHFFFAOYSA_N =  8.6E+03                                  ! [atm] type: Q, ref: 3676

! species:  glycidoxypropyltrimethoxysilane
! formula:  C_9H_{20}O_5Si
! trivial:  
! casrn:    2530-83-8
! inchikey: BPSIOYPQMFLKFR-UHFFFAOYSA-N
Hvpx____2530_83_8 =  3.9E-03                                  ! [atm] type: ?, ref: 3766

! species:  D5OHFormEst
! formula:  C_9H_{26}O_8Si_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KNIXZSAQQHGMJX-UHFFFAOYSA-N
Hvpx_KNIXZSAQQHGMJX_UHFFFAOYSA_N =  2.7E+00                                  ! [atm] type: Q, ref: 3676
Hvpx_KNIXZSAQQHGMJX_UHFFFAOYSA_N =  9.8E-02                                  ! [atm] type: Q, ref: 3676
Hvpx_KNIXZSAQQHGMJX_UHFFFAOYSA_N =  1.2E+04                                  ! [atm] type: Q, ref: 3676

! species:  D5Hydroperoxide
! formula:  C_{10}H_{30}O_7Si_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: VGMLSGIAATVHBV-UHFFFAOYSA-N
Hvpx_VGMLSGIAATVHBV_UHFFFAOYSA_N =  2.2E+02                                  ! [atm] type: Q, ref: 3676
Hvpx_VGMLSGIAATVHBV_UHFFFAOYSA_N =  8.6E+02                                  ! [atm] type: Q, ref: 3676
Hvpx_VGMLSGIAATVHBV_UHFFFAOYSA_N =  4.8E+05                                  ! [atm] type: Q, ref: 3676

! species:  D5EtherHydroperoxide
! formula:  C_{10}H_{30}O_8Si_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: GSAPDUDDTPAQSH-UHFFFAOYSA-N
Hvpx_GSAPDUDDTPAQSH_UHFFFAOYSA_N =  1.8E+01                                  ! [atm] type: Q, ref: 3676
Hvpx_GSAPDUDDTPAQSH_UHFFFAOYSA_N =  8.0E+01                                  ! [atm] type: Q, ref: 3676
Hvpx_GSAPDUDDTPAQSH_UHFFFAOYSA_N =  4.9E+04                                  ! [atm] type: Q, ref: 3676

! species:  D5FormEst2
! formula:  C_{10}H_{26}O_9Si_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: QFORSIVEJZTNKQ-UHFFFAOYSA-N
Hvpx_QFORSIVEJZTNKQ_UHFFFAOYSA_N =  1.2E+03                                  ! [atm] type: Q, ref: 3676
Hvpx_QFORSIVEJZTNKQ_UHFFFAOYSA_N =  2.2E+02                                  ! [atm] type: Q, ref: 3676
Hvpx_QFORSIVEJZTNKQ_UHFFFAOYSA_N =  2.8E+03                                  ! [atm] type: Q, ref: 3676

! species:  isobutyltriethoxysilane
! formula:  C_{10}H_{24}O_3Si
! trivial:  
! casrn:    17980-47-1
! inchikey: ALVYUZIFSCKIFP-UHFFFAOYSA-N
Hvpx___17980_47_1 =  9.9E+01                                  ! [atm] type: ?, ref: 3766

! species:  methyltris(trimethylsiloxy)silane
! formula:  C_{10}H_{30}O_3Si_4
! trivial:  
! casrn:    17928-28-8
! inchikey: RGMZNZABJYWAEC-UHFFFAOYSA-N
Hvpx___17928_28_8 =  1.9E+07                                  ! [atm] type: ?, ref: 3766

! species:  vinyltris(2-methoxyethoxy)silane
! formula:  C_{11}H_{24}O_6Si
! trivial:  
! casrn:    1067-53-4
! inchikey: WOXXJEVNDJOOLV-UHFFFAOYSA-N
Hvpx____1067_53_4 =  9.3E-04                                  ! [atm] type: ?, ref: 3766

! species:  tetrakis(trimethylsiloxy)silane
! formula:  C_{12}H_{36}O_4Si_5
! trivial:  
! casrn:    3555-47-3
! inchikey: VNRWTCZXQWOWIG-UHFFFAOYSA-N
Hvpx____3555_47_3 =  2.1E+07                                  ! [atm] type: ?, ref: 3766

! species:  2-(3,4-epoxycyclohexyl)\+ethyltriethoxysilane
! formula:  C_{14}H_{28}O_4Si
! trivial:  
! casrn:    10217-34-2
! inchikey: UDUKMRHNZZLJRB-UHFFFAOYSA-N
Hvpx___10217_34_2 =  5.5E-02                                  ! [atm] type: ?, ref: 3766

! species:  D5OH2
! formula:  C_8H_{26}O_7Si_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: AGIASGIZCMBNMT-UHFFFAOYSA-N
Hvpx_AGIASGIZCMBNMT_UHFFFAOYSA_N =  6.1E-03                                  ! [atm] type: Q, ref: 3676
Hvpx_AGIASGIZCMBNMT_UHFFFAOYSA_N =  2.2E-01                                  ! [atm] type: Q, ref: 3676
Hvpx_AGIASGIZCMBNMT_UHFFFAOYSA_N =  4.3E+03                                  ! [atm] type: Q, ref: 3676

! species:  hexamethyldisilazane
! formula:  C_6H_{19}NSi_2
! trivial:  
! casrn:    999-97-3
! inchikey: FFUAGWLWBBFQJT-UHFFFAOYSA-N
Hvpx_____999_97_3 =  4.8E+00                                  ! [atm] type: Q, ref: 3088

! species:  D3Organonitrate
! formula:  C_6H_{17}NO_6Si_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: WGZJMUDCTAXYSF-UHFFFAOYSA-N
Hvpx_WGZJMUDCTAXYSF_UHFFFAOYSA_N =  2.3E+02                                  ! [atm] type: Q, ref: 3676
Hvpx_WGZJMUDCTAXYSF_UHFFFAOYSA_N =  3.3E+03                                  ! [atm] type: Q, ref: 3676
Hvpx_WGZJMUDCTAXYSF_UHFFFAOYSA_N =  5.5E+03                                  ! [atm] type: Q, ref: 3676

! species:  D3EtherOrganonitrate
! formula:  C_6H_{17}NO_7Si_3
! trivial:  
! casrn:    UNKNOWN
! inchikey: CJWFNCZCCFYEKP-UHFFFAOYSA-N
Hvpx_CJWFNCZCCFYEKP_UHFFFAOYSA_N =  1.9E+01                                  ! [atm] type: Q, ref: 3676
Hvpx_CJWFNCZCCFYEKP_UHFFFAOYSA_N =  3.2E+02                                  ! [atm] type: Q, ref: 3676
Hvpx_CJWFNCZCCFYEKP_UHFFFAOYSA_N =  4.0E+02                                  ! [atm] type: Q, ref: 3676

! species:  D4Organonitrate
! formula:  C_8H_{23}NO_7Si_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: CYMCLGYPZZKOOI-UHFFFAOYSA-N
Hvpx_CYMCLGYPZZKOOI_UHFFFAOYSA_N =  2.7E+03                                  ! [atm] type: Q, ref: 3676
Hvpx_CYMCLGYPZZKOOI_UHFFFAOYSA_N =  1.3E+04                                  ! [atm] type: Q, ref: 3676
Hvpx_CYMCLGYPZZKOOI_UHFFFAOYSA_N =  7.2E+04                                  ! [atm] type: Q, ref: 3676

! species:  D4EtherOrganonitrate
! formula:  C_8H_{23}NO_8Si_4
! trivial:  
! casrn:    UNKNOWN
! inchikey: XHFUWVKWVPBCDO-UHFFFAOYSA-N
Hvpx_XHFUWVKWVPBCDO_UHFFFAOYSA_N =  2.2E+02                                  ! [atm] type: Q, ref: 3676
Hvpx_XHFUWVKWVPBCDO_UHFFFAOYSA_N =  1.5E+03                                  ! [atm] type: Q, ref: 3676
Hvpx_XHFUWVKWVPBCDO_UHFFFAOYSA_N =  3.5E+04                                  ! [atm] type: Q, ref: 3676

! species:  (3-aminopropyl)triethoxysilane
! formula:  C_9H_{23}NO_3Si
! trivial:  
! casrn:    919-30-2
! inchikey: WYTZZXDRDKSJID-UHFFFAOYSA-N
Hvpx_____919_30_2 =  4.5E-03                                  ! [atm] type: ?, ref: 3766

! species:  D5Organonitrate
! formula:  C_{10}H_{29}NO_8Si_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: KWHVDACCYNMOAR-UHFFFAOYSA-N
Hvpx_KWHVDACCYNMOAR_UHFFFAOYSA_N =  6.3E+03                                  ! [atm] type: Q, ref: 3676
Hvpx_KWHVDACCYNMOAR_UHFFFAOYSA_N =  1.1E+04                                  ! [atm] type: Q, ref: 3676
Hvpx_KWHVDACCYNMOAR_UHFFFAOYSA_N =  4.6E+04                                  ! [atm] type: Q, ref: 3676

! species:  D5EtherOrganonitrate
! formula:  C_{10}H_{29}NO_9Si_5
! trivial:  
! casrn:    UNKNOWN
! inchikey: BQINUVFPZWRRBW-UHFFFAOYSA-N
Hvpx_BQINUVFPZWRRBW_UHFFFAOYSA_N =  5.2E+02                                  ! [atm] type: Q, ref: 3676
Hvpx_BQINUVFPZWRRBW_UHFFFAOYSA_N =  9.6E+02                                  ! [atm] type: Q, ref: 3676
Hvpx_BQINUVFPZWRRBW_UHFFFAOYSA_N =  1.9E+04                                  ! [atm] type: Q, ref: 3676

! species:  silafluofen
! formula:  C_{25}H_{29}FO_2Si
! trivial:  
! casrn:    105024-66-6
! inchikey: HPYNBECUCCGGPA-UHFFFAOYSA-N
Hvpx__105024_66_6 =  1.4E+00                                  ! [atm] type: ?, ref: 3766

! species:  flusilazole
! formula:  C_{16}H_{15}F_2N_3Si
! trivial:  
! casrn:    85509-19-9
! inchikey: FQKUGOMFVDPBIZ-UHFFFAOYSA-N
Hvpx___85509_19_9 =  2.0E-02                                  ! [atm] type: X, ref: barcelo97
Hvpx___85509_19_9 =  1.2E-03                                  ! [atm] type: Q, ref: 3729

! species:  simeconazole
! formula:  C_{14}H_{20}FN_3OSi
! trivial:  
! casrn:    149508-90-7
! inchikey: YABFPHSQTSFWQB-UHFFFAOYSA-N
Hvpx__149508_90_7 =  1.4E-04                                  ! [atm] type: ?, ref: 3766

! species:  dichloromethylsilane
! formula:  CH_4Cl_2Si
! trivial:  methyldichlorosilane
! casrn:    75-54-7
! inchikey: NWKBSEBOBPHMKL-UHFFFAOYSA-N
Hvpx______75_54_7 =  7.2E+02                                  ! [atm] type: Q, ref: 3088

! species:  etacelasil
! formula:  C_{11}H_{25}O_6ClSi
! trivial:  
! casrn:    37894-46-5
! inchikey: SLZWEMYSYKOWCG-UHFFFAOYSA-N
Hvpx___37894_46_5 =  1.9E-04                                  ! [atm] type: ?, ref: 3087

! species:  prohexadione-calcium
! formula:  C_{20}H_{22}O_{10}Ca
! trivial:  
! casrn:    127277-53-6
! inchikey: VQIYODJWCVPJRC-UHFFFAOYSA-N
Hvpx__127277_53_6 =  1.0E-05                                  ! [atm] type: ?, ref: 3549

! species:  zineb
! formula:  C_4H_6N_2S_4Zn
! trivial:  
! casrn:    12122-67-7
! inchikey: AMHNZOICSMBGDH-UHFFFAOYSA-L
Hvpx___12122_67_7 =  2.0E-04                                  ! [atm] type: V, ref: 2614
Hvpx___12122_67_7 =  1.5E-04                                  ! [atm] type: X, ref: macbean2012
Hvpx___12122_67_7 =  2.9E-03                                  ! [atm] type: ?, ref: 3549

! species:  ziram
! formula:  C_6H_{12}N_2S_4Zn
! trivial:  
! casrn:    137-30-4
! inchikey: DUBNHZYBDBBJHD-UHFFFAOYSA-L
Hvpx_____137_30_4 =  3.4E-05                                  ! [atm] type: V, ref: 3088
Hvpx_____137_30_4 =  2.6E-06                                  ! [atm] type: V, ref: 2614
Hvpx_____137_30_4 =  3.1E-03                                  ! [atm] type: ?, ref: 3549

! species:  mancozeb
! formula:  C_8H_{12}MnN_4S_8Zn
! trivial:  
! casrn:    8018-01-7
! inchikey: CHNQZRKUZPNOOH-UHFFFAOYSA-J
Hvpx____8018_01_7 =  3.4E-02                                  ! [atm] type: ?, ref: 3549

! species:  methylarsine
! formula:  CH_5As
! trivial:  
! casrn:    593-52-2
! inchikey: IDDBICIFODFKQO-UHFFFAOYSA-N
Hvpx_____593_52_2 =  6.0E+04                                  ! [atm] type: ?, ref: 3766

! species:  ethylarsine
! formula:  C_2H_7As
! trivial:  
! casrn:    593-59-9
! inchikey: OSAGMAAQMRQLLW-UHFFFAOYSA-N
Hvpx_____593_59_9 =  3.6E+04                                  ! [atm] type: ?, ref: 3766

! species:  diethyl arsine
! formula:  C_4H_{11}As
! trivial:  
! casrn:    692-42-2
! inchikey: JZCIYTSNUPIOMK-UHFFFAOYSA-N
Hvpx_____692_42_2 =  2.5E+04                                  ! [atm] type: Q, ref: 3088

! species:  phenylarsine oxide
! formula:  C_6H_5AsO
! trivial:  
! casrn:    637-03-6
! inchikey: BQVCCPGCDUSGOE-UHFFFAOYSA-N
Hvpx_____637_03_6 =  6.1E-01                                  ! [atm] type: ?, ref: 3393

! species:  diphenylarsanylformonitrile
! formula:  C_{13}H_{10}AsN
! trivial:  
! casrn:    23525-22-6
! inchikey: BDHNJKLLVSRGDK-UHFFFAOYSA-N
Hvpx___23525_22_6 =  4.9E-04                                  ! [atm] type: ?, ref: 3766

! species:  dichloro(methyl)arsane
! formula:  CH_3AsCl_2
! trivial:  
! casrn:    593-89-5
! inchikey: VXRMBBLRHSRVDK-UHFFFAOYSA-N
Hvpx_____593_89_5 =  1.1E+02                                  ! [atm] type: ?, ref: 3766

! species:  lewisite
! formula:  C_2H_2AsCl_3
! trivial:  
! casrn:    541-25-3
! inchikey: GIKLTQKNOXNBNY-OWOJBTEDSA-N
Hvpx_____541_25_3 =  1.2E+01                                  ! [atm] type: V, ref: 3586
Hvpx_____541_25_3 =  1.8E+01                                  ! [atm] type: V, ref: 3088
Hvpx_____541_25_3 =  1.0E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____541_25_3 =  1.5E+01                                  ! [atm] type: ?, ref: 3393

! species:  diphenylchloroarsine
! formula:  C_{12}H_{10}AsCl
! trivial:  
! casrn:    712-48-1
! inchikey: YHHKGKCOLGRKKB-UHFFFAOYSA-N
Hvpx_____712_48_1 =  8.9E-03                                  ! [atm] type: ?, ref: 3766

! species:  lewisite oxide
! formula:  C_2H_2AsClO
! trivial:  
! casrn:    3088-37-7
! inchikey: MVCVAGFCWDFQQX-OWOJBTEDSA-N
Hvpx____3088_37_7 =  1.0E+02                                  ! [atm] type: ?, ref: 3393

! species:  phenyldichloroarsine
! formula:  C_6H_5AsCl_2
! trivial:  
! casrn:    696-28-6
! inchikey: UDHDFEGCOJAVRE-UHFFFAOYSA-N
Hvpx_____696_28_6 =  1.7E+00                                  ! [atm] type: Q, ref: 3088

! species:  adamsite
! formula:  C_{12}H_9AsClN
! trivial:  
! casrn:    578-94-9
! inchikey: PBNSPNYJYOYWTA-UHFFFAOYSA-N
Hvpx_____578_94_9 =  1.8E-03                                  ! [atm] type: Q, ref: 3088

! species:  dimethyl selenide
! formula:  C_2H_6Se
! trivial:  
! casrn:    593-79-3
! inchikey: RVIXKDRPFPUUOO-UHFFFAOYSA-N
Hvpx_____593_79_3 =  4.6E+01                                  ! [atm] type: Q, ref: 3730
Hvpx_____593_79_3 =  1.3E+02                                  ! [atm] type: Q, ref: 3586
Hvpx_____593_79_3 =  9.5E+01                                  ! [atm] type: ?, ref: 3586

! species:  dimethyl diselenide
! formula:  C_2H_6Se_2
! trivial:  
! casrn:    7101-31-7
! inchikey: VLXBWPOEOIIREY-UHFFFAOYSA-N
Hvpx____7101_31_7 =  3.9E+02                                  ! [atm] type: ?, ref: 3766

! species:  2-amino-4-(methylselenyl)butyric acid
! formula:  C_5H_{11}NO_2Se
! trivial:  selenium methionine
! casrn:    1464-42-2
! inchikey: RJFAYQIBOAGBLC-UHFFFAOYSA-N
Hvpx____1464_42_2 =  1.9E-06                                  ! [atm] type: Q, ref: 3088

! species:  tetramethylstannane
! formula:  C_4H_{12}Sn
! trivial:  tetramethyltin
! casrn:    594-27-4
! inchikey: VXKWYPOMXBVZSJ-UHFFFAOYSA-N
Hvpx_____594_27_4 =  5.8E+04 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2225
Hvpx_____594_27_4 =  5.6E+04                                  ! [atm] type: ?, ref: 1500
Hvpx_____594_27_4 =  4.6E+04                                  ! [atm] type: ?, ref: 2226

! species:  tetraethylstannane
! formula:  C_8H_{20}Sn
! trivial:  tetraethyltin
! casrn:    597-64-8
! inchikey: RWWNQEOPUOCKGR-UHFFFAOYSA-N
Hvpx_____597_64_8 =  3.5E+04                                  ! [atm] type: Q, ref: 3088
Hvpx_____597_64_8 =  8.9E+04                                  ! [atm] type: ?, ref: 1500
Hvpx_____597_64_8 =  9.6E+04 * EXP(  -6100.*(1./T-1./298.15)) ! [atm] type: ?, ref: 2225
Hvpx_____597_64_8 =  4.8E+04                                  ! [atm] type: ?, ref: 2226

! species:  tetrabutylstannane
! formula:  C_{16}H_{36}Sn
! trivial:  tetra-butyl tin
! casrn:    1461-25-2
! inchikey: AFCAKJKUYFLYFK-UHFFFAOYSA-N
Hvpx____1461_25_2 =  3.3E+05                                  ! [atm] type: Q, ref: 3088

! species:  triphenyltin hydroxide
! formula:  C_{18}H_{16}OSn
! trivial:  
! casrn:    76-87-9
! inchikey: BFWMWWXRWVJXSE-UHFFFAOYSA-M
Hvpx______76_87_9 =  2.4E-02                                  ! [atm] type: V, ref: 3586
Hvpx______76_87_9 =  1.4E+00                                  ! [atm] type: Q, ref: 3586

! species:  hexabutyldistannoxane
! formula:  C_{24}H_{54}OSn_2
! trivial:  bis(tributyltin)oxide
! casrn:    56-35-9
! inchikey: APQHKWPGGHMYKJ-UHFFFAOYSA-N
Hvpx______56_35_9 =  7.2E-03                                  ! [atm] type: V, ref: 3088

! species:  hexakis(2-methyl-2-phenylpropyl)distannoxane
! formula:  C_{60}H_{78}OSn_2
! trivial:  fenbutatin oxide
! casrn:    13356-08-6
! inchikey: HOXINJBQVZWYGZ-UHFFFAOYSA-N
Hvpx___13356_08_6 =  1.1E-04                                  ! [atm] type: V, ref: 3088

! species:  fentin acetate
! formula:  C_{20}H_{18}O_2Sn
! trivial:  
! casrn:    900-95-8
! inchikey: WDQNIWFZKXZFAY-UHFFFAOYSA-M
Hvpx_____900_95_8 =  2.7E-04                                  ! [atm] type: ?, ref: 3766

! species:  1-(tricyclohexylstannyl)1H-1,2,4-triazole
! formula:  C_{20}H_{35}N_3Sn
! trivial:  azocyclotin
! casrn:    41083-11-8
! inchikey: ONHBDDJJTDTLIR-UHFFFAOYSA-N
Hvpx___41083_11_8 =  1.2E-07                                  ! [atm] type: V, ref: 3586
Hvpx___41083_11_8 =  1.2E-07                                  ! [atm] type: V, ref: 3088
Hvpx___41083_11_8 =  4.7E-01                                  ! [atm] type: Q, ref: 3586

! species:  dimethylmercury
! formula:  C_2H_6Hg
! trivial:  
! casrn:    593-74-8
! inchikey: ATZBPOVXVPIOMR-UHFFFAOYSA-N
Hvpx_____593_74_8 =  4.2E+02 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2289
Hvpx_____593_74_8 =  2.6E+02                                  ! [atm] type: C, ref: 2577
Hvpx_____593_74_8 =  4.2E+02 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: C, ref: 3070
Hvpx_____593_74_8 =  5.3E+02 * EXP(  -3000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577
Hvpx_____593_74_8 =  3.5E+02                                  ! [atm] type: ?, ref: 2171
Hvpx_____593_74_8 =  4.2E+02 * EXP(  -2700.*(1./T-1./298.15)) ! [atm] type: ?, ref: 2171
Hvpx_____593_74_8 =  1.8E+02                                  ! [atm] type: ?, ref: 2576

! species:  diethylmercury
! formula:  C_4H_{10}Hg
! trivial:  
! casrn:    627-44-1
! inchikey: SPIUPAOJDZNUJH-UHFFFAOYSA-N
Hvpx_____627_44_1 =  5.3E+02 * EXP(  -3800.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  dipropylmercury
! formula:  C_6H_{14}Hg
! trivial:  
! casrn:    628-85-3
! inchikey: UZTYYBPPVOXULF-UHFFFAOYSA-N
Hvpx_____628_85_3 =  9.8E+02 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  diisopropylmercury
! formula:  C_6H_{14}Hg
! trivial:  
! casrn:    1071-39-2
! inchikey: UVUGOJQWNVFTRT-UHFFFAOYSA-N
Hvpx____1071_39_2 =  1.4E+03 * EXP(  -4600.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  dibutylmercury
! formula:  C_8H_{18}Hg
! trivial:  
! casrn:    629-35-6
! inchikey: CCYKQVBIPYDCKS-UHFFFAOYSA-N
Hvpx_____629_35_6 =  1.9E+03 * EXP(  -5400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  diphenylmercury
! formula:  C_{12}H_{10}Hg
! trivial:  
! casrn:    587-85-9
! inchikey: HWMTUNCVVYPZHZ-UHFFFAOYSA-N
Hvpx_____587_85_9 =  2.0E-03 * EXP(  -8800.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  hydroxymethylmercury
! formula:  CH_3HgOH
! trivial:  
! casrn:    1184-57-2
! inchikey: KRZWEBVPFGCYMY-UHFFFAOYSA-M
Hvpx____1184_57_2 =  5.6E-04 * EXP(  -7700.*(1./T-1./298.15)) ! [atm] type: M, ref: 2576
Hvpx____1184_57_2 =  3.7E-04                                  ! [atm] type: ?, ref: 2285

! species:  phenyl mercuric ethanoate
! formula:  C_8H_8HgO_2
! trivial:  
! casrn:    62-38-4
! inchikey: XEBWQGVWTUSTLN-UHFFFAOYSA-M
Hvpx______62_38_4 =  3.7E-05                                  ! [atm] type: V, ref: 1157

! species:  (3-cyanoguanidino)methylmercury
! formula:  C_3H_6N_4Hg
! trivial:  methylmercuric dicyanamide
! casrn:    502-39-6
! inchikey: JVJUWCMBRUMDDQ-UHFFFAOYSA-N
Hvpx_____502_39_6 =  7.7E-06                                  ! [atm] type: Q, ref: 3088

! species:  chloromethylmercury
! formula:  CH_3HgCl
! trivial:  
! casrn:    115-09-3
! inchikey: BABMCXWQNSQAOC-UHFFFAOYSA-M
Hvpx_____115_09_3 =  2.5E-02 * EXP(  -1800.*(1./T-1./298.15)) ! [atm] type: M, ref: 2288
Hvpx_____115_09_3 =  3.8E-02                                  ! [atm] type: M, ref: 2289
Hvpx_____115_09_3 =  2.8E-02 * EXP(  -4100.*(1./T-1./298.15)) ! [atm] type: C, ref: 3070
Hvpx_____115_09_3 =  2.1E-02                                  ! [atm] type: ?, ref: 2171
Hvpx_____115_09_3 =  3.7E-02                                  ! [atm] type: ?, ref: 2576

! species:  chloroethylmercury
! formula:  C_2H_5HgCl
! trivial:  
! casrn:    107-27-7
! inchikey: QWUGXIXRFGEYBD-UHFFFAOYSA-M
Hvpx_____107_27_7 =  3.6E-02 * EXP(  -5600.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  chloropropylmercury
! formula:  C_3H_7HgCl
! trivial:  
! casrn:    2440-40-6
! inchikey: ZLAYJSKLDWSALK-UHFFFAOYSA-M
Hvpx____2440_40_6 =  4.7E-02 * EXP(  -5900.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  chloroisopropylmercury
! formula:  C_3H_7HgCl
! trivial:  
! casrn:    30615-19-1
! inchikey: YOKZNQICWABELX-UHFFFAOYSA-M
Hvpx___30615_19_1 =  5.5E-02 * EXP(  -6000.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  chlorobutylmercury
! formula:  C_4H_9HgCl
! trivial:  
! casrn:    543-63-5
! inchikey: OKPMTXZRMGMMOO-UHFFFAOYSA-M
Hvpx_____543_63_5 =  6.2E-02 * EXP(  -6300.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  chloropentylmercury
! formula:  C_5H_{11}HgCl
! trivial:  
! casrn:    544-15-0
! inchikey: UHFZINPMKCNPQL-UHFFFAOYSA-M
Hvpx_____544_15_0 =  7.8E-02 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  chlorophenylmercury
! formula:  C_6H_5HgCl
! trivial:  
! casrn:    100-56-1
! inchikey: AWGTVRDHKJQFAX-UHFFFAOYSA-M
Hvpx_____100_56_1 =  1.5E-03                                  ! [atm] type: V, ref: 2577
Hvpx_____100_56_1 =  5.9E-04 * EXP(  -7400.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  2-methoxyethylmercury chloride
! formula:  CH_3OC_2H_4HgCl
! trivial:  aretan
! casrn:    123-88-6
! inchikey: VJTAZCKMHINUKO-UHFFFAOYSA-M
Hvpx_____123_88_6 =  1.4E-04 * EXP(  -8600.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  bromomethylmercury
! formula:  CH_3HgBr
! trivial:  
! casrn:    506-83-2
! inchikey: ZDHHIJSLJCLMPX-UHFFFAOYSA-M
Hvpx_____506_83_2 =  1.5E-01                                  ! [atm] type: ?, ref: 2576

! species:  bromoethylmercury
! formula:  C_2H_5HgBr
! trivial:  
! casrn:    107-26-6
! inchikey: UREACWLAXSOUKG-UHFFFAOYSA-M
Hvpx_____107_26_6 =  1.8E-01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  bromophenylmercury
! formula:  C_6H_5HgBr
! trivial:  
! casrn:    1192-89-8
! inchikey: PUPHNPSAIJQNEE-UHFFFAOYSA-M
Hvpx____1192_89_8 =  3.0E-03 * EXP(  -6900.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  iodomethylmercury
! formula:  CH_3HgI
! trivial:  
! casrn:    143-36-2
! inchikey: JVDIOYBHEYUIBM-UHFFFAOYSA-M
Hvpx_____143_36_2 =  2.8E-01 * EXP(  -4800.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577
Hvpx_____143_36_2 =  9.5E-01                                  ! [atm] type: ?, ref: 2576

! species:  iodoethylmercury
! formula:  C_2H_5HgI
! trivial:  
! casrn:    2440-42-8
! inchikey: BYIGJUQTUPMNMF-UHFFFAOYSA-M
Hvpx____2440_42_8 =  2.2E-01 * EXP(  -5200.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  iodophenylmercury
! formula:  C_6H_5HgI
! trivial:  
! casrn:    823-04-1
! inchikey: BISBXZWWFIOZSX-UHFFFAOYSA-M
Hvpx_____823_04_1 =  6.0E-03 * EXP(  -6700.*(1./T-1./298.15)) ! [atm] type: Q, ref: 2577

! species:  tetramethyl lead
! formula:  C_4H_{12}Pb
! trivial:  
! casrn:    75-74-1
! inchikey: XOOGZRUBTYCLHG-UHFFFAOYSA-N
Hvpx______75_74_1 =  3.4E+04                                  ! [atm] type: V, ref: 3088

! species:  ethyltrimethylplumbane
! formula:  C_5H_{14}Pb
! trivial:  
! casrn:    1762-26-1
! inchikey: KHQJREYATBQBHY-UHFFFAOYSA-N
Hvpx____1762_26_1 =  1.9E+04                                  ! [atm] type: Q, ref: 3088

! species:  diethyldimethylplumbane
! formula:  C_6H_{16}Pb
! trivial:  diethyldimethyl lead
! casrn:    1762-27-2
! inchikey: OLOAJSHVLXNSQV-UHFFFAOYSA-N
Hvpx____1762_27_2 =  2.6E+04                                  ! [atm] type: Q, ref: 3088

! species:  triethylmethylplumbane
! formula:  C_7H_{18}Pb
! trivial:  methyltriethyl lead
! casrn:    1762-28-3
! inchikey: KGFRUGHBHNUHOS-UHFFFAOYSA-N
Hvpx____1762_28_3 =  3.4E+04                                  ! [atm] type: Q, ref: 3088

! species:  tetraethyl lead
! formula:  C_8H_{20}Pb
! trivial:  
! casrn:    78-00-2
! inchikey: MRMOZBOQVYRSEM-UHFFFAOYSA-N
Hvpx______78_00_2 =  4.2E+04 * EXP(  -6400.*(1./T-1./298.15)) ! [atm] type: M, ref: 3077
Hvpx______78_00_2 =  4.3E+04                                  ! [atm] type: ?, ref: 2226

! species:  trimethyl lead chloride
! formula:  C_3H_9ClPb
! trivial:  
! casrn:    1520-78-1
! inchikey: HPQRSQFZILKRDH-UHFFFAOYSA-M
Hvpx____1520_78_1 =  2.2E-01                                  ! [atm] type: ?, ref: 3766

! species:  triethyl lead chloride
! formula:  C_6H_{15}ClPb
! trivial:  
! casrn:    1067-14-7
! inchikey: UQWYUMLFPUILRT-UHFFFAOYSA-M
Hvpx____1067_14_7 =  2.6E-06                                  ! [atm] type: V, ref: 3586
Hvpx____1067_14_7 =  4.8E+02                                  ! [atm] type: Q, ref: 3586
