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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 butanoate

FORMULA:C3H7COOCH3
TRIVIAL NAME: methyl butyrate
CAS RN:623-42-7
STRUCTURE
(FROM NIST):
InChIKey:UUIQMZJEGPQKFD-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.7×10−2 Aprea et al. 2007 M
4.8×10−2 Buttery et al. 1969 M
3.7×10−2 Amoore and Buttery 1978 V
5800 Della Gatta et al. 1981 T 100)
2.8×10−2 Hilal et al. 2008 Q
3.2×10−2 Nirmalakhandan and Speece 1988a Q
4.8×10−2 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.
  • 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.
  • Aprea, E., Biasioli, F., Märk, T. D., and Gasperi, F.: PTR-MS study of esters in water and water/ethanol solutions: Fragmentation patterns and partition coefficients, Int. J. Mass Spectrom., 262, 114-121, doi:10.1016/J.IJMS.2006.10.016, 2007.
  • 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.
  • Della Gatta, G., Stradella, L., and Venturello, P.: Enthalpies of solvation in cyclohexane and in water for homologous aliphatic ketones and esters, J. Solution Chem., 10, 209-220, doi:10.1007/BF00653098, 1981.
  • 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.
  • 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

100) Calculated from the solvation enthalpy, using the van 't Hoff equation.

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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