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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 → Hydrocarbons (C, H) → Cycloalkanes → cyclohexane

FORMULA:C6H12
CAS RN:110-82-7
STRUCTURE
(FROM NIST):
InChIKey:XDTMQSROBMDMFD-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
5.6×10−5 Mackay and Shiu 1981 L
3.2×10−4 5400 Hiatt 2013 M
8.0×10−5 Helburn et al. 2008 M
5.2×10−5 4500 Dewulf et al. 1999 M 114)
6.0×10−5 Hansen et al. 1993 M 115)
5.4×10−5 3800 Kolb et al. 1992 M 102)
3.4×10−5 Guitart et al. 1989 M 19)
5.5×10−5 3200 Ashworth et al. 1988 M 103)
5.4×10−5 3400 Tsonopoulos and Wilson 1983 M
5.4×10−5 3800 Tucker et al. 1981 M
5.3×10−5 Mackay et al. 2006a V
5.1×10−5 Mackay et al. 1993 V
6.0×10−5 Hwang et al. 1992 V
5.4×10−5 Eastcott et al. 1988 V
5.1×10−5 Hine and Mookerjee 1975 V
4000 Gill et al. 1976 T 100)
6.2×10−5 710 Goldstein 1982 X 116)
9.5×10−5 Hilal et al. 2008 Q
3600 Kühne et al. 2005 Q
4.5×10−5 Nirmalakhandan and Speece 1988a Q
3900 Kühne et al. 2005 ?
5.1×10−5 Yaws and Yang 1992 ? 92)
5.1×10−5 Abraham et al. 1990 ?
5.1×10−5 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.
  • Ashworth, R. A., Howe, G. B., Mullins, M. E., and Rogers, T. N.: Air-water partitioning coefficients of organics in dilute aqueous solutions, J. Hazard. Mater., 18, 25-36, doi:10.1016/0304-3894(88)85057-X, 1988.
  • Dewulf, J., van Langenhove, H., and Everaert, P.: Determination of Henry's law coefficients by combination of the equilibrium partitioning in closed systems and solid-phase microextraction techniques, J. Chromatogr. A, 830, 353-363, doi:10.1016/S0021-9673(98)00877-2, 1999.
  • 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.
  • Gill, S. J., Nichols, N. F., and Wadsö, I.: Calorimetric determination of enthalpies of solution of slightly soluble liquids II. Enthalpy of solution of some hydrocarbons in water and their use in establishing the temperature dependence of their solubilities, J. Chem. Thermodyn., 8, 445-452, doi:10.1016/0021-9614(76)90065-3, 1976.
  • 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.
  • Guitart, R., Puigdemont, F., and 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.
  • Hansen, K. C., Zhou, Z., Yaws, C. L., and Aminabhavi, T. M.: Determination of Henry's law constants of organics in dilute aqueous solutions, J. Chem. Eng. Data, 38, 546-550, doi:10.1021/JE00012A017, 1993.
  • Helburn, R., Albritton, J., Howe, G., Michael, L., and Franke, D.: Henry's law constants for fragrance and organic solvent compounds in aqueous industrial surfactants, J. Chem. Eng. Data, 53, 1071-1079, doi:10.1021/JE700418A, 2008.
  • Hiatt, M. H.: Determination of Henry's law constants using internal standards with benchmark values, J. Chem. Eng. Data, 58, 902-908, doi:10.1021/JE3010535, 2013.
  • 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.
  • 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.
  • Kolb, B., Welter, C., and Bichler, C.: Determination of partition coefficients by automatic equilibrium headspace gas chromatography by vapor phase calibration, Chromatographia, 34, 235-240, doi:10.1007/BF02268351, 1992.
  • 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.
  • 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.
  • Tsonopoulos, C. and Wilson, G. M.: High-temperature mutual solubilities of hydrocarbons and water. Part I: Benzene, cyclohexane and n-hexane, AIChE J., 29, 990-999, doi:10.1002/AIC.690290618, 1983.
  • Tucker, E. E., Lane, E. H., and Christian, S. D.: Vapor pressure studies of hydrophobic interactions. formation of benzene-benzene and cyclohexane-cyclohexanol dimers in dilute aqueous solution, J. Solution Chem., 10, 1-20, doi:10.1007/BF00652776, 1981.
  • 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

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.
100) Calculated from the solvation enthalpy, using the van 't Hoff equation.
102) Extrapolated from data measured between 40 °C and 80 °C.
103) The value is most probably taken from the report by Howe et al. (1987).
114) The data listed in Tabs. 2 and 3 of Dewulf et al. (1999) are inconsistent, with 5 % difference.
115) Value at T = 301 K.
116) Value given here as quoted by Staudinger and Roberts (1996).

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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