MPG

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

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 ConstantsOrganic species with oxygen (O)Ketones (RCOR) → butanone

FORMULA:C2H5COCH3
TRIVIAL NAME: methyl ethyl ketone; MEK
CAS RN:78-93-3
STRUCTURE
(FROM NIST):
InChIKey:ZWEHNKRNPOVVGH-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.8×10−1 5700 Sander et al. 2011 L
1.8×10−1 5700 Sander et al. 2006 L
1.9×10−1 4600 Fogg and Sangster 2003 L
1.8×10−1 5400 Staudinger and Roberts 2001 L
2.0×10−1 5000 Staudinger and Roberts 1996 L
1.0×10−1 Kim and Kim 2014 M
9.5×10−2 Helburn et al. 2008 M
2.1×10−1 5200 Ji and Evans 2007 M
1.5×10−1 4400 Falabella et al. 2006 M 89) 130)
2.7×10−2 12000 Strekowski and George 2005 M
1.7×10−1 Straver and de Loos 2005 M
1.5×10−1 4500 Chai et al. 2005 M 89)
Cheng et al. 2004 M 123)
Cheng et al. 2003 M 123)
1.1×10−1 Karl et al. 2003 M
1.6×10−1 Kim et al. 2000 M
1.9×10−1 Chaintreau et al. 1995 M
1.4×10−1 4700 Ettre et al. 1993 M 89)
1.9×10−1 5000 Zhou and Mopper 1990 M 188)
6.8×10−2 -5200 Ashworth et al. 1988 M 103)
1.3×10−1 Hellmann 1987 M 31)
1.8×10−1 Park et al. 1987 M
1.7×10−1 5700 Snider and Dawson 1985 M
1.4×10−1 Hawthorne et al. 1985 M
1.0×10−1 Friant and Suffet 1979 M 23)
9.8×10−2 Sato and Nakajima 1979a M 19)
1.8×10−1 Vitenberg et al. 1975 M
1.1×10−1 Vitenberg et al. 1974 M
1.9×10−1 Rohrschneider 1973 M
2.1×10−1 Buttery et al. 1969 M
1.1×10−2 Abraham and Acree 2007 V
2.8×10−1 Mackay et al. 2006c V
2.8×10−1 Mackay et al. 1995 V
2.6×10−1 Hwang et al. 1992 V
1.6×10−1 Rathbun and Tai 1982 V
7.1×10−2 Hine and Weimar 1965 R
2.1×10−1 5500 Bagno et al. 1991 T 196)
5500 Della Gatta et al. 1981 T 100)
7.1×10−2 5800 Janini and Quaddora 1986 X 116)
2.3×10−1 Mackay et al. 1995 C
4.1×10−1 Harrison et al. 1993 C
1.9×10−1 Cabani et al. 1981 C
1.3×10−1 Hilal et al. 2008 Q
5900 Kühne et al. 2005 Q
1.6×10−1 Nirmalakhandan et al. 1997 Q
1.0×10−1 Mackay et al. 2006c ? 7)
5300 Kühne et al. 2005 ?
1.5×10−1 Yaws et al. 1998 ?
3.1×10−1 Betterton 1991 ?
2.1×10−1 Abraham et al. 1990 ?

References

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  • Falabella, J. B., Nair, A., and Teja, A. S.: Henry's constants of 1-alkanols and 2-ketones in salt solutions, J. Chem. Eng. Data, 51, 1940-1945, doi:10.1021/JE0600956, 2006.
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  • Helburn, R., Albritton, J., Howe, G., Michael, L., and Franke, D.: Henry's law constants for fragrance and organic solvent compounds in aqueous industrial surfactants, J. Chem. Eng. Data, 53, 1071-1079, doi:10.1021/JE700418A, 2008.
  • Hellmann, H.: Model tests on volatilization of organic trace substances in surfaces waters, Fresenius J. Anal. Chem., 328, 475-479, doi:10.1007/BF00475967, 1987.
  • 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 Weimar, Jr., R. D.: Carbon basicity, J. Am. Chem. Soc., 87, 3387-3396, doi:10.1021/JA01093A018, 1965.
  • Hwang, Y.-L., Olson, J. D., and Keller, II, G. E.: Steam stripping for removal of organic pollutants from water. 2. Vapor-liquid equilibrium data, Ind. Eng. Chem. Res., 31, 1759-1768, doi:10.1021/IE00007A022, 1992.
  • Janini, G. M. and Quaddora, L. A.: Determination of activity coefficients of oxygenated hydrocarbons by liquid-liquid chromatography, J. Liq. Chromatogr., 9, 39-53, doi:10.1080/01483918608076621, 1986.
  • Ji, C. and Evans, E. M.: Using an internal standard method to determine Henry's law constants, Environ. Toxicol. Chem., 26, 231-236, doi:10.1897/06-339R.1, 2007.
  • 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.
  • Karl, T., Yeretzian, C., Jordan, A., and Lindinger, W.: Dynamic measurements of partition coefficients using proton-transfer-reaction mass spectrometry (PTR-MS), Int. J. Mass Spectrom., 223-224, 383-395, doi:10.1016/S1387-3806(02)00927-2, 2003.
  • Kim, Y.-H. and Kim, K.-H.: Recent advances in thermal desorption-gas chromatography-mass spectrometery method to eliminate the matrix effect between air and water samples: Application to the accurate determination of Henry's law constant, J. Chromatogr. A, 1342, 78-85, doi:10.1016/J.CHROMA.2014.03.040, 2014.
  • Kim, B. R., Kalis, E. M., DeWulf, T., and Andrews, K. M.: Henry's Law constants for paint solvents and their implications on volatile organic compound emissions from automotive painting, Water Environ. Res., 72, 65-74, doi:10.2175/106143000X137121, 2000.
  • 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.
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  • 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.
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  • Snider, J. R. and Dawson, G. A.: Tropospheric light alcohols, carbonyls, and acetonitrile: Concentrations in the southwestern United States and Henry's law data, J. Geophys. Res., 90D, 3797-3805, doi:10.1029/JD090ID02P03797, 1985.
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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

7) Several references are given in the list of Henry's law constants but not assigned to specific species.
19) Value at T = 310 K.
23) Value at T = 303 K.
31) Value at T = 295 K.
89) Measured at high temperature and extrapolated to T = 298.15 K.
100) Calculated from the solvation enthalpy, using the van 't Hoff equation.
103) The value is most probably taken from the report by Howe et al. (1987).
116) Value given here as quoted by Staudinger and Roberts (1996).
123) It was found that H changes with the concentration of the solution.
130) Values for salt solutions are also available from this reference.
188) Data from Table 1 by Zhou and Mopper (1990) were used to redo the regression analysis. The data for acetone in their Table 2 are incorrect.
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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