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Henry's Law Constants

www.henrys-law.org

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany


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Henry's Law Constants

Notes

References

Errata

Contact, Impressum, Acknowledgements


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

R. Sander: Compilation of Henry's law constants (version 4.0) for water as solvent, Atmos. Chem. Phys., 15, 4399-4981 (2015), doi:10.5194/acp-15-4399-2015


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

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

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.4×10−5 1900 Warneck and Williams 2012 L
1.4×10−5 1600 Sander et al. 2011 L
1.4×10−5 1600 Sander et al. 2006 L
1.4×10−5 1500 Fernández-Prini et al. 2003 L 1)
1.4×10−5 1600 Abraham and Matteoli 1988 L
1.5×10−5 Mackay and Shiu 1981 L
1.4×10−5 1700 Wilhelm et al. 1977 L
1.2×10−5 2400 Lekvam and Bishnoi 1997 M
1.3×10−5 1400 Reichl 1995 M
1.2×10−5 Guitart et al. 1989 M 19)
1.4×10−5 1600 Crovetto et al. 1982 M
1.4×10−5 1600 Rettich et al. 1981 M
1.3×10−5 1900 Winkler 1901 M
1.5×10−5 HSDB 2015 V
1.5×10−5 Meylan and Howard 1991 V
1.5×10−5 Hine and Mookerjee 1975 V
9.2×10−5 Butler and Ramchandani 1935 V
1.4×10−5 Hine and Weimar 1965 R
1.4×10−5 1600 Clever and Young 1987 X 3)
1.4×10−5 1600 Clever and Young 1987 X 5) 24)
9.6×10−6 Liss and Slater 1974 C
1.3×10−5 Deno and Berkheimer 1960 C
2.5×10−5 Hilal et al. 2008 Q
2300 Kühne et al. 2005 Q
1.6×10−5 Nirmalakhandan et al. 1997 Q
2.4×10−5 Meylan and Howard 1991 Q
1700 Kühne et al. 2005 ?
1.6×10−5 Yaws 1999 ?
1.3×10−5 1900 Dean 1992 ? 6)
1.5×10−5 Yaws and Yang 1992 ? 92)
1.4×10−5 Abraham et al. 1990 ?

References

  • Abraham, M. H. and Matteoli, E.: The temperature variation of the hydrophobic effect, J. Chem. Soc. Faraday Trans. 1, 84, 1985-2000, doi:10.1039/F19888401985, 1988.
  • Abraham, M. H., Whiting, G. S., Fuchs, R., and Chambers, E. J.: Thermodynamics of solute transfer from water to hexadecane, J. Chem. Soc. Perkin Trans. 2, pp. 291-300, doi:10.1039/P29900000291, 1990.
  • Butler, J. A. V. and Ramchandani, C. N.: The solubility of non-electrolytes. Part II. The influence of the polar group on the free energy of hydration of aliphatic compounds, J. Chem. Soc., pp. 952-955, doi:10.1039/JR9350000952, 1935.
  • Clever, H. L. and Young, C. L., eds.: IUPAC Solubility Data Series, vol. 27/28 of Methane , Pergamon Press, Oxford, England, 1987.
  • Crovetto, R., Fernández-Prini, R., and Japas, M. L.: Solubilities of inert gases and methane in H2O and in D2O in the temperature range of 300 to 600 K, J. Chem. Phys., 76, 1077-1086, doi:10.1063/1.443074, 1982.
  • Dean, J. A.: Lange's Handbook of Chemistry, McGraw-Hill, Inc., 1992.
  • Deno, N. C. and Berkheimer, H. E.: Activity coefficients as a functon of structure and media, J. Chem. Eng. Data, 5, 1-5, doi:10.1021/JE60005A001, 1960.
  • Fernández-Prini, R., Alvarez, J. L., and Harvey, A. H.: Henry's constants and vapor-liquid distribution constants for gaseous solutes in H2O and D2O at high temperatures, J. Phys. Chem. Ref. Data, 32, 903-916, doi:10.1063/1.1564818, 2003.
  • Guitart, R., Puigdemont, F., and Arboix, M.: Rapid headspace gas chromatographic method for the determination of liquid/gas partition coefficients, J. Chromatogr., 491, 271-280, doi:10.1016/S0378-4347(00)82845-5, 1989.
  • Hilal, S. H., Ayyampalayam, S. N., and Carreira, L. A.: Air-liquid partition coefficient for a diverse set of organic compounds: Henry's law constant in water and hexadecane, Environ. Sci. Technol., 42, 9231-9236, doi:10.1021/ES8005783, 2008.
  • Hine, J. and Mookerjee, P. K.: The intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions, J. Org. Chem., 40, 292-298, doi:10.1021/JO00891A006, 1975.
  • Hine, J. and Weimar, Jr., R. D.: Carbon basicity, J. Am. Chem. Soc., 87, 3387-3396, doi:10.1021/JA01093A018, 1965.
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
  • Kühne, R., Ebert, R.-U., and 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.
  • Lekvam, K. and Bishnoi, P. R.: Dissolution of methane in water at low temperatures and intermediate pressures, Fluid Phase Equilib., 131, 297-309, doi:10.1016/S0378-3812(96)03229-3, 1997.
  • Liss, P. S. and Slater, P. G.: Flux of gases across the air-sea interface, Nature, 247, 181-184, doi:10.1038/247181A0, 1974.
  • Mackay, D. and Shiu, W. Y.: A critical review of Henry's law constants for chemicals of environmental interest, J. Phys. Chem. Ref. Data, 10, 1175-1199, doi:10.1063/1.555654, 1981.
  • Meylan, W. M. and Howard, P. H.: Bond contribution method for estimating Henry's law constants, Environ. Toxicol. Chem., 10, 1283-1293, doi:10.1002/ETC.5620101007, 1991.
  • Nirmalakhandan, N., Brennan, R. A., and 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.
  • Reichl, A.: Messung und Korrelierung von Gaslöslichkeiten halogenierter Kohlenwasserstoffe, Ph.D. thesis, Technische Universität Berlin, Germany, 1995.
  • Rettich, T. R., Handa, Y. P., Battino, R., and Wilhelm, E.: Solubility of gases in liquids. 13. High-precision determination of Henry's constants for methane and ethane in liquid water at 275 to 328 K, J. Phys. Chem., 85, 3230-3237, doi:10.1021/J150622A006, 1981.
  • 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., and 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, http://jpldataeval.jpl.nasa.gov, 2006.
  • Sander, S. P., Abbatt, J., Barker, J. R., Burkholder, J. B., Friedl, R. R., Golden, D. M., Huie, R. E., Kolb, C. E., Kurylo, M. J., Moortgat, G. K., Orkin, V. L., and Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, http://jpldataeval.jpl.nasa.gov, 2011.
  • Warneck, P. and Williams, J.: The Atmospheric Chemist's Companion: Numerical Data for Use in the Atmospheric Sciences, Springer Verlag, doi:10.1007/978-94-007-2275-0, 2012.
  • Wilhelm, E., Battino, R., and Wilcock, R. J.: Low-pressure solubility of gases in liquid water, Chem. Rev., 77, 219-262, doi:10.1021/CR60306A003, 1977.
  • Winkler, L. W.: Die Löslichkeit der Gase in Wasser (dritte Abhandlung), Ber. Dtsch. Chem. Ges., 34, 1408-1422, doi:10.1002/CBER.19010340210, 1901.
  • Yaws, C. L., ed.: Chemical Properties Handbook, McGraw-Hill, Inc., 1999.
  • Yaws, C. L. and Yang, H.-C.: Henry's law constant for compound in water, in: Thermodynamic and Physical Property Data, edited by Yaws, C. L., pp. 181-206, Gulf Publishing Company, Houston, TX, 1992.

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 (2015) for further details.

Notes

1) Vapor pressure data for water from Wagner and Pruss (1993) was needed to calculate H.
3) Value given here as quoted by Fogg and Sangster (2003).
5) Value given here as quoted by Lide and Frederikse (1995).
6) Only the tabulated data between T = 273 K and T = 303 K from Dean (1992) were used to derive H and its temperature dependence. Above T = 303 K, the tabulated data could not be parameterized very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by Sander et al. (1995). The quantities A and α from Dean (1992) were assumed to be identical.
19) Value at T = 310 K.
24) The parametrization given by Lide and Frederikse (1995) with parameters A, B, and C doesn't fit the data in the same paper for this substance. Therefore the parametrization of the solubility data was recalculated.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.

The numbers of the notes are the same as in Sander (2015). References cited in the notes can be found here.

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