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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 ConstantsOrganic species with oxygen (O)Ketones (RCOR) → 3,3-dimethyl-2-butanone

FORMULA:C6H12O
TRIVIAL NAME: tert-butyl methyl ketone
CAS RN:75-97-8
STRUCTURE
(FROM NIST):
InChIKey:PJGSXYOJTGTZAV-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
4.5×10−2 HSDB 2015 V
7.6×10−2 6000 Bagno et al. 1991 T 196)
6000 Della Gatta et al. 1981 T 100)
4.7×10−2 Hilal et al. 2008 Q
5700 Kühne et al. 2005 Q
7.9×10−2 Nirmalakhandan et al. 1997 Q
5400 Kühne et al. 2005 ?
6.4×10−2 Yaws et al. 1998 ?

References

  • 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.
  • 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.
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
  • 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.
  • Nirmalakhandan, N., Brennan, R. A., and Speece, R. E.: Predicting Henry's law constant and the effect of temperature on Henry's law constant, Wat. Res., 31, 1471-1481, doi:10.1016/S0043-1354(96)00395-8, 1997.
  • Yaws, C. L., Sheth, S. D., and Han, M.: Using solubility and Henry's law constant data for ketones in water, Pollut. Eng., 30, 44-46, 1998.

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.
196) Calculated under the assumption that ∆G and ∆H are based on [mol/l] and [atm] as the standard states.

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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