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Henry's Law Constants

Rolf Sander

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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 Constants → Organic species with oxygen (O) → Carboxylic acids (RCOOH) and peroxy carboxylic acids (RCOOOH) → ethanoic acid

FORMULA:CH3COOH
TRIVIAL NAME: acetic acid
CAS RN:64-19-7
STRUCTURE
(FROM NIST):
InChIKey:QTBSBXVTEAMEQO-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
4.0×101 6200 Sander et al. 2011 L
4.0×101 6200 Sander et al. 2006 L
4.6×101 6300 Staudinger and Roberts 2001 L
1.4×101 von Hartungen et al. 2004 M
4.0×101 6300 Johnson et al. 1996 M
5.4×101 Khan et al. 1995 M
5.4×101 8300 Khan and Brimblecombe 1992 M
9.2×101 Servant et al. 1991 M 201)
Fredenhagen and Liebster 1932 M 123)
9.1 Hwang et al. 1992 V
6300 Abraham 1984 V
6200 Abraham 1984 R 202)
8.7×101 6400 Jacob et al. 1989 T
6400 Winiwarter et al. 1988 T 203)
8.7×101 Keene and Galloway 1986 T
9.7 4900 Goldstein 1982 X 116)
9.9×101 Gaffney and Senum 1984 X 153) 205)
5.1×101 Johnson et al. 1996 C
5.2×101 Keene et al. 1995 C
8.5×101 Keene et al. 1995 C
1.3×102 Hilal et al. 2008 Q
6100 Kühne et al. 2005 Q
3.9×101 Nirmalakhandan and Speece 1988a Q
6200 Kühne et al. 2005 ?
8.2 Yaws and Yang 1992 ? 92)
3.3×101 Abraham et al. 1990 ?
3.3×101 Hine and Mookerjee 1975 ?

References

  • Abraham, M. H.: Thermodynamics of solution of homologous series of solutes in water, J. Chem. Soc. Faraday Trans. 1, 80, 153-181, doi:10.1039/F19848000153, 1984.
  • 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.
  • Fredenhagen, K. and Liebster, H.: Die Teildrucke und Verteilungszahlen der Essigsäure über ihren wässerigen Lösungen bei 25 ° C, Z. Phys. Chem., 162A, 449-453, doi:10.1515/ZPCH-1932-16234, 1932.
  • Gaffney, J. S. and Senum, G. I.: Peroxides, peracids, aldehydes, and PANs and their links to natural and anthropogenic organic sources, in: Gas-Liquid Chemistry of Natural Waters, edited by Newman, L., pp. 5-1-5-7, NTIS TIC-4500, UC-11, BNL 51757 Brookhaven National Laboratory, 1984.
  • Goldstein, D. J.: Air and steam stripping of toxic pollutants, Appendix 3: Henry's law constants, Tech. Rep. EPA-68-03-002, Industrial Environmental Research Laboratory, Cincinnati, OH, USA, 1982.
  • 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.
  • Hwang, Y.-L., Olson, J. D., and Keller, II, G. E.: Steam stripping for removal of organic pollutants from water. 2. Vapor-liquid equilibrium data, Ind. Eng. Chem. Res., 31, 1759-1768, doi:10.1021/IE00007A022, 1992.
  • Jacob, D. J., Gottlieb, E. W., and Prather, M. J.: Chemistry of a polluted cloudy boundary layer, J. Geophys. Res., 94D, 12 975-13 002, doi:10.1029/JD094ID10P12975, 1989.
  • Johnson, B. J., Betterton, E. A., and Craig, D.: Henry's law coefficients of formic and acetic acids, J. Atmos. Chem., 24, 113-119, doi:10.1007/BF00162406, 1996.
  • 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.
  • Keene, W. C. and Galloway, J. N.: Considerations regarding sources for formic and acetic acids in the troposphere, J. Geophys. Res., 91D, 14 466-14 474, doi:10.1029/JD091ID13P14466, 1986.
  • Keene, W. C., Mosher, B. W., Jacob, D. J., Munger, J. W., Talbot, R. W., Artz, R. S., Maben, J. R., Daube, B. C., and Galloway, J. N.: Carboxylic acids in a high-elevation forested site in central Virginia, J. Geophys. Res., 100D, 9345-9357, doi:10.1029/94JD01247, 1995.
  • Khan, I. and Brimblecombe, P.: Henry's law constants of low molecular weight ( < 130) organic acids, J. Aerosol Sci., 23, S897-S900, doi:10.1016/0021-8502(92)90556-B, 1992.
  • Khan, I., Brimblecombe, P., and Clegg, S. L.: Solubilities of pyruvic acid and the lower (C1-C6) carboxylic acids. Experimental determination of equilibrium vapour pressures above pure aqueous and salt solutions, J. Atmos. Chem., 22, 285-302, doi:10.1007/BF00696639, 1995.
  • 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.
  • Servant, J., Kouadio, G., Cros, B., and Delmas, R.: Carboxylic monoacids in the air of Mayombe forest (Congo): Role of the forest as a source or sink, J. Atmos. Chem., 12, 367-380, doi:10.1007/BF00114774, 1991.
  • Staudinger, J. and Roberts, P. V.: A critical compilation of Henry's law constant temperature dependence relations for organic compounds in dilute aqueous solutions, Chemosphere, 44, 561-576, doi:10.1016/S0045-6535(00)00505-1, 2001.
  • von Hartungen, E., Wisthaler, A., Mikoviny, T., Jaksch, D., Boscaini, E., Dunphy, P. J., and Märk, T. D.: Proton-transfer-reaction mass spectrometry (PTR-MS) of carboxylic acids. Determination of Henry's law constants and axillary odour investigations, Int. J. Mass Spectrom., 239, 243-248, doi:10.1016/J.IJMS.2004.09.009, 2004.
  • Winiwarter, W., Puxbaum, H., Fuzzi, S., Facchini, M. C., Orsi, G., Beltz, N., Enderle, K.-H., and Jaeschke, W.: Organic acid gas and liquid-phase measurements in Po valley fall-winter conditions in the presence of fog, Tellus, 40B, 348-357, doi:10.1111/J.1600-0889.1988.TB00109.X, 1988.
  • 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

92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
116) Value given here as quoted by Staudinger and Roberts (1996).
123) It was found that H changes with the concentration of the solution.
153) Value given here as quoted by Gaffney et al. (1987).
201) The value given here was measured at a liquid phase mixing ratio of 1 μmol/mol. Servant et al. (1991) found that the Henry's law constant changes at higher concentrations.
202) Abraham (1984) smoothed the values from a plot of enthalpy against carbon number.
203) The value of H⊖ was taken from Keene and Galloway (1986).
205) Value at pH = 4.

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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