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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 oxygen (O) → Esters (RCOOR) → methyl methanoate

FORMULA:HCOOCH3
TRIVIAL NAME: methyl formate
CAS RN:107-31-3
STRUCTURE
(FROM NIST):
InChIKey:TZIHFWKZFHZASV-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
4.1×10−2 4000 Sander et al. 2011 L
4.1×10−2 4000 Kutsuna et al. 2005 M
4.1×10−2 Hoff et al. 1993 M
3.9×10−2 4100 Hartkopf and Karger 1973 M
4.9×10−2 Mackay et al. 2006c V
4.9×10−2 Mackay et al. 1995 V
5.8×10−2 Hilal et al. 2008 Q
4100 Kühne et al. 2005 Q
6.4×10−2 Nirmalakhandan and Speece 1988a Q
4200 Kühne et al. 2005 ?
4.4×10−2 Betterton 1992 ? 206)
4.4×10−2 Abraham et al. 1990 ?
4.4×10−2 Hine and Mookerjee 1975 ? 206)

References

  • 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.
  • Betterton, E. A.: Henry's law constants of soluble and moderately soluble organic gases: Effects on aqueous phase chemistry, Adv. Environ. Sci. Technol., 24, 1-50, 1992.
  • Hartkopf, A. and Karger, B. L.: Study of the interfacial properties of water by gas chromatography, Acc. Chem. Res., 6, 209-216, doi:10.1021/AR50066A006, 1973.
  • 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.
  • Hoff, J. T., Mackay, D., Gillham, R., and Shiu, W. Y.: Partitioning of organic chemicals at the air-water interface in environmental systems, Environ. Sci. Technol., 27, 2174-2180, doi:10.1021/ES00047A026, 1993.
  • 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.
  • Kutsuna, S., Chen, L., Abe, T., Mizukado, J., Uchimaru, T., Tokuhashi, K., and Sekiya, A.: Henry's law constants of 2,2,2-trifluoroethyl formate, ethyl trifluoroacetate, and non-fluorinated analogous esters, Atmos. Environ., 39, 5884-5892, doi:10.1016/J.ATMOSENV.2005.06.021, 2005.
  • Mackay, D., Shiu, W. Y., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Oxygen, Nitrogen, and Sulfur Containing Compounds , Lewis Publishers, Boca Raton, 1995.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Oxygen Containing Compounds , CRC/Taylor & Francis Group, 2006c.
  • 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.
  • 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.

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

206) Pecsar and Martin (1966) is quoted as the source. However, only activity coefficients and no vapor pressures are listed there.

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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