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Henry's Law Constants

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 → propane

FORMULA:C3H8
CAS RN:74-98-6
STRUCTURE
(FROM NIST):
InChIKey:ATUOYWHBWRKTHZ-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.5×10−5 2700 Sander et al. (2011) L
1.5×10−5 2700 Sander et al. (2006) L
1.5×10−5 2800 Abraham and Matteoli (1988) L
1.4×10−5 Mackay and Shiu (1981) L
1.5×10−5 2700 Wilhelm et al. (1977) L
1.6×10−5 2700 Chapoy et al. (2004) M
1.5×10−5 2700 Reichl (1995) M
9.7×10−6 Guitart et al. (1989) M 19)
1.4×10−5 HSDB (2015) V
1.4×10−5 Hine and Mookerjee (1975) V
1.3×10−5 Irmann (1965) V
1.5×10−5 2700 Hayduk (1986) X 3) 93)
1.5×10−5 2700 Hayduk (1986) X 5)
1.4×10−5 Deno and Berkheimer (1960) C
1.4×10−5 Hilal et al. (2008) Q
2900 Kühne et al. (2005) Q
1.6×10−5 Nirmalakhandan and Speece (1988a) Q
1.3×10−5 Irmann (1965) Q
2800 Kühne et al. (2005) ?
1.4×10−5 Yaws and Yang (1992) ? 92)
1.5×10−5 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).
  • Chapoy, A., Mokraoui, S., Valtz, A., Richon, D., Mohammadi, A. H., & Tohidi, B.: Solubility measurement and modeling for the system propane-water from 277.62 to 368.16 K, Fluid Phase Equilib., 226, 213–220, doi:10.1016/J.FLUID.2004.08.040 (2004).
  • 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).
  • 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. 24 of Propane, Butane and 2-Methylpropane, Pergamon Press, Oxford, England (1986).
  • 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).
  • 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).
  • 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

3) Value given here as quoted by Fogg and Sangster (2003).
5) Value given here as quoted by Lide and Frederikse (1995).
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.
93) Erratum for page 325 of Fogg and Sangster (2003): The second term in the equation describing the recommended data should be a division by T, not a multiplication, i.e. 1.44345E4/T.

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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