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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 → 2-methylpropane

FORMULA:HC(CH3)3
TRIVIAL NAME: isobutane
CAS RN:75-28-5
STRUCTURE
(FROM NIST):
InChIKey:NNPPMTNAJDCUHE-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
9.1×10−6 2700 Sander et al. 2011 L 96)
9.1×10−6 2700 Sander et al. 2006 L 97)
8.3×10−6 Mackay and Shiu 1981 L
8.0×10−6 2700 Wilhelm et al. 1977 L
1.1×10−4 5100 Mohebbi et al. 2012 M
8.3×10−6 HSDB 2015 V
8.3×10−6 Mackay et al. 2006a V
8.3×10−6 Mackay et al. 1993 V
8.4×10−6 Hine and Mookerjee 1975 V
9.7×10−6 Irmann 1965 V
2.7×10−5 2400 Hayduk 1986 X 3) 98)
9.2×10−6 2700 Hayduk 1986 X 5)
5.6×10−6 Hilal et al. 2008 Q
3300 Kühne et al. 2005 Q
1.0×10−5 Nirmalakhandan and Speece 1988a Q
1.1×10−5 Irmann 1965 Q
2900 Kühne et al. 2005 ?
8.5×10−6 Yaws and Yang 1992 ? 92)
8.0×10−6 Abraham et al. 1990 ?
7.9×10−6 Abraham 1979 ?

References

  • Abraham, M. H.: Free energies of solution of rare gases and alkanes in water and nonaqueous solvents. A quantitative assessment of the hydrophobic effect, J. Am. Chem. Soc., 101, 5477-5484, doi:10.1021/JA00513A004, 1979.
  • 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.
  • 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., 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.
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), 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., 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.
  • 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.
  • Mackay, D., Shiu, W. Y., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Volatile Organic Chemicals , Lewis Publishers, Boca Raton, 1993.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. I of Introduction and Hydrocarbons , CRC/Taylor & Francis Group, 2006a.
  • Mohebbi, V., Naderifar, A., Behbahani, R. M., and Moshfeghian, M.: Determination of Henry's law constant of light hydrocarbon gases at low temperatures, J. Chem. Thermodyn., 51, 8-11, doi:10.1016/J.JCT.2012.02.014, 2012.
  • Nirmalakhandan, N. N. and Speece, R. E.: QSAR model for predicting Henry's constant, Environ. Sci. Technol., 22, 1349-1357, doi:10.1021/ES00176A016, 1988a.
  • 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.
  • 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.
  • 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

3) Value given here as quoted by Fogg and Sangster (2003).
5) Value given here as quoted by Lide and Frederikse (1995).
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
96) The H298 and A,B,C data listed in Table 5.4 of Sander et al. (2011) are inconsistent, with 6 % difference.
97) The H298 and A,B,C data listed in Table 5.4 of Sander et al. (2006) are inconsistent, with 6 % difference.
98) It is unclear why the value given by Fogg and Sangster (2003) is about 3 times higher than that given by Lide and Frederikse (1995) (and others), even though both refer to .

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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