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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)Cycloalkanescis-1,2-dimethylcyclohexane

FORMULA:C6H10(CH3)2
CAS RN:2207-01-4
STRUCTURE
(FROM NIST):
InChIKey:KVZJLSYJROEPSQ-OCAPTIKFSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.8×10−5 Mackay and Shiu 1981 L
2.9×10−5 4900 Dohányosová et al. 2004 M
4.6×10−6 Abraham and Acree 2007 V
2.8×10−5 Mackay et al. 2006a V
2.8×10−5 Meylan and Howard 1991 V
2.8×10−5 Eastcott et al. 1988 V
2.8×10−5 Hine and Mookerjee 1975 V
4300 Kühne et al. 2005 Q
4.3×10−5 Nirmalakhandan et al. 1997 Q
2.2×10−5 Meylan and Howard 1991 Q
4900 Kühne et al. 2005 ?
2.8×10−5 Yaws and Yang 1992 ? 92)

References

  • Abraham, M. H. and Acree, Jr., W. E.: Prediction of gas to water partition coefficients from 273 to 373 K using predicted enthalpies and heat capacities of hydration, Fluid Phase Equilib., 262, 97-110, doi:10.1016/J.FLUID.2007.08.011, 2007.
  • Dohányosová, P., Sarraute, S., Dohnal, V., Majer, V., and Costa Gomes, M.: Aqueous solubility and related thermodynamic functions of nonaromatic hydrocarbons as a function of molecular structure, Ind. Eng. Chem. Res., 43, 2805-2815, doi:10.1021/IE030800T, 2004.
  • Eastcott, L., Shiu, W. Y., and Mackay, D.: Environmentally relevant physical-chemical properties of hydrocarbons: A review of data and development of simple correlations, Oil Chem. Pollut., 4, 191-216, doi:10.1016/S0269-8579(88)80020-0, 1988.
  • 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.
  • 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., 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.
  • Meylan, W. M. and Howard, P. H.: Bond contribution method for estimating Henry's law constants, Environ. Toxicol. Chem., 10, 1283-1293, doi:10.1002/ETC.5620101007, 1991.
  • 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.
  • 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.

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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