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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 propanoate

FORMULA:C2H5COOCH3
TRIVIAL NAME: methyl propionate
CAS RN:554-12-1
STRUCTURE
(FROM NIST):
InChIKey:RJUFJBKOKNCXHH-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
5.7×10−2 Buttery et al. 1969 M
6.1×10−2 Mackay et al. 2006c V
6.1×10−2 Mackay et al. 1995 V
6.1×10−2 Hine and Mookerjee 1975 V
5.4×10−2 5400 Bagno et al. 1991 T 196)
3.9×10−2 Hilal et al. 2008 Q
4.0×10−2 Nirmalakhandan and Speece 1988a Q
5.8×10−2 5000 Betterton 1992 ? 207)
5.7×10−2 Abraham et al. 1990 ?

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.
  • Bagno, A., Lucchini, V., and Scorrano, G.: Thermodynamics of protonation of ketones and esters and energies of hydration of their conjugate acids, J. Phys. Chem., 95, 345-352, doi:10.1021/J100154A063, 1991.
  • 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.
  • Buttery, R. G., Ling, L. C., and Guadagni, D. G.: Volatilities of aldehydes, ketones, and esters in dilute water solutions, J. Agric. Food Chem., 17, 385-389, doi:10.1021/JF60162A025, 1969.
  • 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.
  • 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.

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

196) Calculated under the assumption that ∆G and ∆H are based on [mol/l] and [atm] as the standard states.
207) Betterton (1992) gives Kieckbusch and King (1979) as the source. However, no data were found in that reference.

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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