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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 chlorine (Cl) → Chlorocarbons (C, H, Cl) → 1-chloropentane

FORMULA:C5H11Cl
CAS RN:543-59-9
STRUCTURE
(FROM NIST):
InChIKey:SQCZQTSHSZLZIQ-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
4.2×10−4 Li et al. 1993 M
4.1×10−4 4700 Leighton and Calo 1981 M
2.7×10−4 Sato and Nakajima 1979b M 19)
4.5×10−4 Mackay et al. 2006b V
4.5×10−4 Mackay et al. 1993 V
4.5×10−4 Abraham 1984 V
4.3×10−4 Amoore and Buttery 1978 V
4.5×10−4 Hine and Mookerjee 1975 V
7.3×10−4 Hilal et al. 2008 Q
4000 Kühne et al. 2005 Q
3.9×10−4 Nirmalakhandan and Speece 1988a Q
4.2×10−4 Mackay et al. 2006b ?
4400 Kühne et al. 2005 ?
4.2×10−4 Mackay et al. 1993 ?
2.0×10−4 Yaws and Yang 1992 ? 92)
4.5×10−4 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.
  • Amoore, J. E. and Buttery, R. G.: Partition coefficient and comparative olfactometry, Chem. Senses Flavour, 3, 57-71, doi:10.1093/CHEMSE/3.1.57, 1978.
  • 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.
  • 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.
  • Leighton, D. T. and Calo, J. M.: Distribution coefficients of chlorinated hydrocarbons in dilute air-water systems for groundwater contamination applications, J. Chem. Eng. Data, 26, 382-385, doi:10.1021/JE00026A010, 1981.
  • Li, J., Dallas, A. J., Eikens, D. I., Carr, P. W., Bergmann, D. L., Hait, M. J., and Eckert, C. A.: Measurement of large infinite dilution activity coefficients of nonelectrolytes in water by inert gas stripping and gas chromatography, Anal. Chem., 65, 3212-3218, doi:10.1021/AC00070A008, 1993.
  • 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. II of Halogenated Hydrocarbons , CRC/Taylor & Francis Group, 2006b.
  • 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.
  • Sato, A. and Nakajima, T.: A structure-activity relationship of some chlorinated hydrocarbons, Arch. Environ. Health, 34, 69-75, doi:10.1080/00039896.1979.10667371, 1979b.
  • 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.

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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