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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

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 iodine (I)Iodocarbons (C, H, O, Cl, I) → iodomethane

FORMULA:CH3I
TRIVIAL NAME: methyl iodide
CAS RN:74-88-4
STRUCTURE
(FROM NIST):
InChIKey:INQOMBQAUSQDDS-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.0×10−3 3600 Sander et al. 2011 L
2.0×10−3 3600 Sander et al. 2006 L
2.0×10−3 3600 Staudinger and Roberts 2001 L
1.8×10−3 3200 Hiatt 2013 M
1.9×10−3 Gan and Yates 1996 M 113)
1.4×10−3 4600 Moore et al. 1995 M 127)
2.0×10−3 3700 Elliott and Rowland 1993 M
1.9×10−3 3800 Hunter-Smith et al. 1983 M 251)
2.0×10−3 3100 Balls 1980 M
1.8×10−3 3000 Swain and Thornton 1962 M
1.9×10−3 3200 Glew and Moelwyn-Hughes 1953 M
1.9×10−3 3700 Rex 1906 M
1.8×10−3 Mackay et al. 2006b V
1.9×10−3 3600 Fogg and Sangster 2003 V
1.8×10−3 Mackay et al. 1993 V
1.8×10−3 Abraham 1984 V
1.8×10−3 Hine and Mookerjee 1975 V
1.7×10−3 Liss and Slater 1974 C
2.1×10−3 Hilal et al. 2008 Q
3800 Kühne et al. 2005 Q
3.6×10−3 Nirmalakhandan and Speece 1988a Q
1.8×10−3 Mackay et al. 2006b ?
3700 Kühne et al. 2005 ?
3.5×10−3 Yaws 1999 ?
1.8×10−3 Mackay et al. 1993 ?
3.5×10−3 Yaws and Yang 1992 ? 92)

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.
  • Balls, P. W.: Gas transfer across air-water interfaces, Ph.D. thesis, University of East Anglia, Great Britain, 1980.
  • Elliott, S. and Rowland, F. S.: Nucleophilic substitution rates and solubilities for methyl halides in seawater, Geophys. Res. Lett., 20, 1043-1046, doi:10.1029/93GL01081, 1993.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • Gan, J. and Yates, S. R.: Degradation and phase partition of methyl iodide in soil, J. Agric. Food Chem., 44, 4001-4008, doi:10.1021/JF960413C, 1996.
  • Glew, D. N. and Moelwyn-Hughes, E. A.: Chemical statics of the methyl halides in water, Discuss. Faraday Soc., 15, 150-161, doi:10.1039/DF9531500150, 1953.
  • 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.
  • Hunter-Smith, R. J., Balls, P. W., and Liss, P. S.: Henry's law constants and the air-sea exchange of various low molecular weight halocarbon gases, Tellus, 35B, 170-176, doi:10.1111/J.1600-0889.1983.TB00021.X, 1983.
  • 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.
  • Liss, P. S. and Slater, P. G.: Flux of gases across the air-sea interface, Nature, 247, 181-184, doi:10.1038/247181A0, 1974.
  • 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.
  • Moore, R. M., Geen, C. E., and Tait, V. K.: Determination of Henry's law constants for a suite of naturally occuring halogenated methanes in seawater, Chemosphere, 30, 1183-1191, doi:10.1016/0045-6535(95)00009-W, 1995.
  • 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.
  • Rex, A.: Über die Löslichkeit der Halogenderivate der Kohlenwasserstoffe in Wasser, Z. Phys. Chem., 55, 355-370, doi:10.1515/ZPCH-1906-5519, 1906.
  • Sander, S. P., Friedl, R. R., Golden, D. M., Kurylo, M. J., Moortgat, G. K., Keller-Rudek, H., Wine, P. H., Ravishankara, A. R., Kolb, C. E., Molina, M. J., Finlayson-Pitts, B. J., Huie, R. E., and Orkin, V. L.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15, JPL Publication 06-2, Jet Propulsion Laboratory, Pasadena, CA, http://jpldataeval.jpl.nasa.gov, 2006.
  • Sander, S. P., Abbatt, J., Barker, J. R., Burkholder, J. B., Friedl, R. R., Golden, D. M., Huie, R. E., Kolb, C. E., Kurylo, M. J., Moortgat, G. K., Orkin, V. L., and Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, http://jpldataeval.jpl.nasa.gov, 2011.
  • 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.
  • Swain, C. G. and Thornton, E. R.: Initial-state and transition-state isotope effects of methyl halides in light and heavy water, J. Am. Chem. Soc., 84, 822-826, doi:10.1021/JA00864A029, 1962.
  • Yaws, C. L., ed.: Chemical Properties Handbook, McGraw-Hill, Inc., 1999.
  • 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.
113) Value at T = 294 K.
127) Solubility in sea water.
251) Probably an interpolation of the data from Balls (1980).

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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