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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

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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 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 → ethane

FORMULA:C2H6
CAS RN:74-84-0
STRUCTURE
(FROM NIST):
InChIKey:OTMSDBZUPAUEDD-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.9×10−5 2400 Sander et al. (2011) L
1.9×10−5 2400 Sander et al. (2006) L
1.9×10−5 2400 Fernández-Prini et al. (2003) L 1)
1.9×10−5 2300 Abraham and Matteoli (1988) L
2.0×10−5 Mackay and Shiu (1981) L
1.8×10−5 2400 Wilhelm et al. (1977) L
2.0×10−5 2200 Reichl (1995) M
1.3×10−5 Guitart et al. (1989) M 19)
1.9×10−5 2300 Rettich et al. (1981) M
1.9×10−5 2700 Winkler (1901) M
2.0×10−5 HSDB (2015) V
2.0×10−5 Hine and Mookerjee (1975) V
1.0×10−4 Butler and Ramchandani (1935) V
1.9×10−5 2300 Hayduk (1982) X 3)
1.9×10−5 2300 Hayduk (1982) X 5)
1.8×10−5 Deno and Berkheimer (1960) C
2.0×10−5 Hilal et al. (2008) Q
2600 Kühne et al. (2005) Q
2.2×10−5 Nirmalakhandan and Speece (1988a) Q
1.1×10−5 Irmann (1965) Q
2500 Kühne et al. (2005) ?
1.8×10−5 2800 Dean (1992) ? 6)
2.0×10−5 Yaws and Yang (1992) ? 92)
1.9×10−5 Abraham et al. (1990) ?

References

  • Abraham, M. H. & 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., & 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. & 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).
  • Dean, J. A.: Lange’s Handbook of Chemistry, McGraw-Hill, Inc. (1992).
  • Deno, N. C. & 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., & 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., & 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).
  • Hayduk, W., ed.: IUPAC Solubility Data Series, vol. 9 of Ethane, Pergamon Press, Oxford, England (1982).
  • Hilal, S. H., Ayyampalayam, S. N., & 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. & 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).
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), URL http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm (2015).
  • Irmann, F.: Eine einfache Korrelation zwischen Wasserlöslichkeit und Struktur von Kohlenwasserstoffen und Halogenkohlenwasserstoffen, Chem.-Ing.-Tech., 37, 789–798, doi:10.1002/CITE.330370802 (1965).
  • 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).
  • Mackay, D. & 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).
  • Nirmalakhandan, N. N. & Speece, R. E.: QSAR model for predicting Henry’s constant, Environ. Sci. Technol., 22, 1349–1357, doi:10.1021/ES00176A016 (1988a).
  • 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., & 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., & 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 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., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, URL http://jpldataeval.jpl.nasa.gov (2011).
  • Wilhelm, E., Battino, R., & 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. & 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 Hs.
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 Hs 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.
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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