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Henry's Law Constants

https://www.henrys-law.org, https://henry.mpch-mainz.gwdg.de

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

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Henry's Law Constants

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When referring to the compilation of Henry's Law Constants, please cite this publication:

R. Sander: Compilation of Henry's law constants (version 5.0.0) for water as solvent, Atmos. Chem. Phys., 23, 10901-12440 (2023), doi:10.5194/acp-23-10901-2023

The publication from 2023 replaces that from 2015, which is now obsolete. Please do not cite the old paper anymore.

Henry's Law Constants → Hydrocarbons (C, H) → Alkanes → methane

FORMULA:CH4
CAS RN:74-82-8
STRUCTURE
(FROM NIST):
InChIKey:VNWKTOKETHGBQD-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
1.4×10−5 1600 Burkholder et al. (2019) L 1)
1.2×10−5 1100 Burkholder et al. (2019) L 71)
1.4×10−5 1600 Burkholder et al. (2015) L 1)
1.2×10−5 1100 Burkholder et al. (2015) L 71)
1.4×10−5 1900 Warneck & Williams (2012) L
1.4×10−5 1600 Sander et al. (2011) L 1)
1.4×10−5 1600 Sander et al. (2006) L 1)
1.4×10−5 1500 Fernández-Prini et al. (2003) L 3)
1.4×10−5 1600 Plyasunov & Shock (2000) L
1.4×10−5 1600 Abraham & Matteoli (1988) L
Clever & Young (1987) L 222)
1.5×10−5 Mackay & Shiu (1981) L
1.4×10−5 1700 Wilhelm et al. (1977) L
1.3×10−5 1500 Himmelblau (1960) L 1)
1.6×10−5 Liu et al. (2021) M
1.4×10−5 1800 Lutsyk et al. (2005) M
1.2×10−5 2400 Lekvam & Bishnoi (1997) M
1.3×10−5 1400 Reichl (1995) M 223)
1.4×10−5 1600 Scharlin & Battino (1995) M 224)
1.2×10−5 Guitart et al. (1989) M 14)
1.4×10−5 1800 Ben-Naim & Battino (1985) M
1.4×10−5 1600 Crovetto et al. (1982) M
1.4×10−5 1600 Rettich et al. (1981) M
1.4×10−5 1600 Cosgrove & Walkley (1981) M 11)
1.3×10−5 1700 Shoor et al. (1969) M 225)
1.5×10−5 McAuliffe (1966) M 226)
1.4×10−5 1600 Wetlaufer et al. (1964) M
1.5×10−5 McAuliffe (1963) M 227)
1.3×10−5 1600 Morrison & Billett (1952) M 228)
1.3×10−5 1700 Winkler (1901) M 229)
1.5×10−5 Duchowicz et al. (2020) V 187)
1.5×10−5 HSDB (2015) V
1.5×10−5 Meylan & Howard (1991) V
1.5×10−5 Hine & Mookerjee (1975) V
1.3×10−5 1600 Wauchope & Haque (1972) V
9.2×10−5 Butler & Ramchandani (1935) V
1.4×10−5 Hine & Weimar (1965) R
1.4×10−5 Pierotti (1965) T
9.6×10−6 Liss & Slater (1974) C
1.3×10−5 Deno & Berkheimer (1960) C
1.1×10−5 Hayer et al. (2022) Q 20)
3.4×10−3 Duchowicz et al. (2020) Q
7.0×10−7 Gharagheizi et al. (2012) Q
2.5×10−5 Hilal et al. (2008) Q
2300 Kühne et al. (2005) Q
3.0×10−5 Yao et al. (2002) Q 230)
3.0×10−5 English & Carroll (2001) Q 231) 232)
8.6×10−6 Katritzky et al. (1998) Q
1.6×10−5 Nirmalakhandan et al. (1997) Q
2.1×10−5 Suzuki et al. (1992) Q 233)
2.4×10−5 Meylan & Howard (1991) Q
1700 Kühne et al. (2005) ?
1.6×10−5 Yaws (1999) ? 21)
1.4×10−5 1600 Yaws et al. (1999) ? 21)
1.2×10−5 Abraham & Weathersby (1994) ? 21)
1.3×10−5 1700 Dean & Lange (1999) ? 23) 234)
1.5×10−5 Yaws & Yang (1992) ? 21)
1.4×10−5 Abraham et al. (1990) ?

Data

The first column contains Henry's law solubility constant Hscp at the reference temperature of 298.15 K.
The second column contains the temperature dependence d ln Hs cp / d (1/T), also at the reference temperature.

References

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  • Himmelblau, D. M.: Solubilities of inert gases in water. 0∘C. to near the critical point of water, J. Chem. Eng. Data, 5, 10–15, doi:10.1021/JE60005A003 (1960).
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  • Kühne, R., Ebert, R.-U., & Schüürmann, G.: Prediction of the temperature dependency of Henry’s law constant from chemical structure, Environ. Sci. Technol., 39, 6705–6711, doi:10.1021/ES050527H (2005).
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  • Liu, G.-H., Wen, M.-M., Deng, L.-T., Cui, H.-N., Jia, Y.-Y., Cheng, S.-H., Cao, J., & Li, C.: The determination of Henry’s law constant of methane in test water by A.R.M/headspace, Acta Geosci. Sinica, 4, 565–571, doi:10.3975/CAGSB.2020.111202 (2021).
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  • Nirmalakhandan, N., Brennan, R. A., & Speece, R. E.: Predicting Henry’s law constant and the effect of temperature on Henry’s law constant, Wat. Res., 31, 1471–1481, doi:10.1016/S0043-1354(96)00395-8 (1997).
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  • Sander, S. P., Friedl, R. R., Golden, D. M., Kurylo, M. J., Moortgat, G. K., Keller-Rudek, H., Wine, P. H., Ravishankara, A. R., Kolb, C. E., Molina, M. J., Finlayson-Pitts, B. J., Huie, R. E., & Orkin, V. L.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15, JPL Publication 06-2, Jet Propulsion Laboratory, Pasadena, CA, URL https://jpldataeval.jpl.nasa.gov (2006).
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  • Yaws, C. L., Hopper, J. R., Wang, X., Rathinsamy, A. K., & Pike, R. W.: Calculating solubility & Henry’s law constants for gases in water, Chem. Eng., pp. 102–105 (1999).

Type

Table entries are sorted according to reliability of the data, listing the most reliable type first: L) literature review, M) measured, V) VP/AS = vapor pressure/aqueous solubility, R) recalculation, T) thermodynamical calculation, X) original paper not available, C) citation, Q) QSPR, E) estimate, ?) unknown, W) wrong. See Section 3.1 of Sander (2023) for further details.

Notes

1) A detailed temperature dependence with more than one parameter is available in the original publication. Here, only the temperature dependence at 298.15 K according to the Van 't Hoff equation is presented.
3) The vapor pressure for water from Wagner & Pruss (1993) was used to calculate Hs.
11) Measured at high temperature and extrapolated to T⊖ = 298.15 K.
14) Value at T = 310 K.
20) Calculated using machine learning matrix completion methods (MCMs).
21) Several references are given in the list of Henry's law constants but not assigned to specific species.
23) The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by Buck (1981). The quantities A and α from Dean & Lange (1999) were assumed to be identical.
71) Solubility in sea water.
187) Estimation based on the quotient between vapor pressure and water solubility, extracted from HENRYWIN.
222) Clever & Young (1987) recommend the data from Rettich et al. (1981).
223) The data from Reichl (1995) were fitted to the three-parameter equation: Hscp= exp( −133.87698 +6629.95765/T +17.62619 ln(T)) mol m−3 Pa−1, with T in K.
224) The data from Scharlin & Battino (1995) were fitted to the three-parameter equation: Hscp= exp( −206.41149 +10058.76380/T +28.34414 ln(T)) mol m−3 Pa−1, with T in K.
225) The data from Shoor et al. (1969) were fitted to the three-parameter equation: Hscp= exp( −201.05778 +9920.37989/T +27.48020 ln(T)) mol m−3 Pa−1, with T in K.
226) The same value was also published in McAuliffe (1963).
227) The same value was also published in McAuliffe (1966).
228) The data from Morrison & Billett (1952) were fitted to the three-parameter equation: Hscp= exp( −195.92029 +9624.35229/T +26.74970 ln(T)) mol m−3 Pa−1, with T in K.
229) The data from Winkler (1901) were fitted to the three-parameter equation: Hscp= exp( −203.15923 +9951.76163/T +27.82682 ln(T)) mol m−3 Pa−1, with T in K.
230) Yao et al. (2002) compared two QSPR methods and found that radial basis function networks (RBFNs) are better than multiple linear regression. In their paper, they provide neither a definition nor the unit of their Henry's law constants. Comparing the values with those that they cite from Yaws (1999), it is assumed that they use the variant Hvpx and the unit atm.
231) English & Carroll (2001) provide several calculations. Here, the preferred value with explicit inclusion of hydrogen bonding parameters from a neural network is shown.
232) Value from the training dataset.
233) Calculated with a principal component analysis (PCA); see Suzuki et al. (1992) for details.
234) The data from Dean & Lange (1999) were fitted to the three-parameter equation: Hscp= exp( −185.72813 +9197.97398/T +25.21142 ln(T)) mol m−3 Pa−1, with T in K.

References cited in the notes can be found here.

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