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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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References

Errata

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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)Aliphatic alkenes and cycloalkenes → 2-methyl-1,3-butadiene

FORMULA:C5H8
TRIVIAL NAME: isoprene
CAS RN:78-79-5
STRUCTURE
(FROM NIST):
InChIKey:RRHGJUQNOFWUDK-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.3×10−4 Mackay and Shiu 1981 L
3.4×10−4 4400 Leng et al. 2013 M
2.9×10−4 Karl et al. 2003 M 119)
1.3×10−4 HSDB 2015 V
1.3×10−4 Mackay et al. 2006a V
1.3×10−4 Copolovici and Niinemets 2005 V
1.3×10−4 Mackay et al. 1993 V
1.3×10−4 Hine and Mookerjee 1975 V
2.7×10−4 Hilal et al. 2008 Q
6.7×10−5 Nirmalakhandan and Speece 1988a Q
1.3×10−4 Yaws and Yang 1992 ? 92)

References

  • Copolovici, L. O. and Niinemets, U.: Temperature dependencies of Henry's law constants and octanol/water partition coefficients for key plant volatile monoterpenoids, Chemosphere, 61, 1390-1400, doi:10.1016/J.CHEMOSPHERE.2005.05.003, 2005.
  • 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.
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
  • Karl, T., Yeretzian, C., Jordan, A., and Lindinger, W.: Dynamic measurements of partition coefficients using proton-transfer-reaction mass spectrometry (PTR-MS), Int. J. Mass Spectrom., 223-224, 383-395, doi:10.1016/S1387-3806(02)00927-2, 2003.
  • Leng, C., Kish, J. D., Kelley, J., Mach, M., Hiltner, J., Zhang, Y., and Liu, Y.: Temperature-dependent Henry's law constants of atmospheric organics of biogenic origin, J. Phys. Chem. A, 117, 10 359-10 367, doi:10.1021/JP403603Z, 2013.
  • 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.
  • 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.
119) Value at T = 291 K.

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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