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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 ConstantsOrganic species with oxygen (O)Carboxylic acids (RCOOH) and peroxy carboxylic acids (RCOOOH) → hexanoic acid

FORMULA:C5H11COOH
TRIVIAL NAME: caproic acid
CAS RN:142-62-1
STRUCTURE
(FROM NIST):
InChIKey:FUZZWVXGSFPDMH-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.3×101 6100 Staudinger and Roberts 2001 L
7.5 von Hartungen et al. 2004 M
1.3×101 6300 Khan et al. 1995 M
1.3×101 5900 Khan and Brimblecombe 1992 M
1.7×101 Mackay et al. 2006c V
1.7 Mackay et al. 1995 V
1.1×101 Brimblecombe et al. 1992 V
2.0×101 Hwang et al. 1992 V
8700 Abraham 1984 V
8100 Abraham 1984 R 202)
2.4×101 Hilal et al. 2008 Q
7500 Kühne et al. 2005 Q
1.7×101 Nirmalakhandan et al. 1997 Q
7200 Kühne et al. 2005 ?
1.5×101 Abraham et al. 1990 ?

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.
  • Brimblecombe, P., Clegg, S. L., and Khan, I.: Thermodynamic properties of carboxylic acids relevant to their solubility in aqueous solutions, J. Aerosol Sci., 23, S901-S904, doi:10.1016/0021-8502(92)90557-C, 1992.
  • 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.
  • 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.
  • 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.
  • 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.
  • Mackay, D., Shiu, W. Y., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Oxygen, Nitrogen, and Sulfur Containing Compounds , Lewis Publishers, Boca Raton, 1995.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Oxygen Containing Compounds , CRC/Taylor & Francis Group, 2006c.
  • 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.
  • 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.

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

202) Abraham (1984) smoothed the values from a plot of enthalpy against carbon number.

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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