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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

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) → Ketones (RCOR) → 2,3-butanedione

FORMULA:CH3COCOCH3
TRIVIAL NAME: biacetyl; dimethylglyoxal
CAS RN:431-03-8
STRUCTURE
(FROM NIST):
InChIKey:QSJXEFYPDANLFS-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
7.3×10−1 5700 Sander et al. 2011 L
5.6×10−1 6700 Strekowski and George 2005 M
5.6×10−1 Straver and de Loos 2005 M
1.0 Marin et al. 1999 M
3.7×10−1 Roberts and Pollien 1997 M
7.3×10−1 5700 Betterton 1991 M
5.7×10−1 Snider and Dawson 1985 M
6.1×10−1 Marin et al. 1999 V
1.9 Gaffney and Senum 1984 X 181)
1.9 Gaffney and Senum 1984 X 153)
3.8 Hilal et al. 2008 Q
6500 Kühne et al. 2005 Q
7.1×10−1 Marin et al. 1999 Q
6000 Kühne et al. 2005 ?

References

  • Betterton, E. A.: The partitioning of ketones between the gas and aqueous phases, Atmos. Environ., 25A, 1473-1477, doi:10.1016/0960-1686(91)90006-S, 1991.
  • Gaffney, J. S. and Senum, G. I.: Peroxides, peracids, aldehydes, and PANs and their links to natural and anthropogenic organic sources, in: Gas-Liquid Chemistry of Natural Waters, edited by Newman, L., pp. 5-1-5-7, NTIS TIC-4500, UC-11, BNL 51757 Brookhaven National Laboratory, 1984.
  • 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.
  • 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.
  • Marin, M., Baek, I., and Taylor, A. J.: Volatile release from aqueous solutions under dynamic headspace dilution conditions, J. Agric. Food Chem., 47, 4750-4755, doi:10.1021/JF990470G, 1999.
  • Roberts, D. D. and Pollien, P.: Analysis of aroma release during microwave heating, J. Agric. Food Chem., 45, 4388-4392, doi:10.1021/JF9702508, 1997.
  • 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.
  • 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.
  • Straver, E. J. M. and de Loos, T. W.: Determination of Henry's law constants and activity coefficients at infinite dilution of flavor compounds in water at 298 K with a gas-chromatographic method, J. Chem. Eng. Data, 50, 1171-1176, doi:10.1021/JE0495942, 2005.
  • Strekowski, R. S. and George, C.: Measurement of Henry's law constants for acetone, 2-butanone, 2,3-butanedione and isobutyraldehyde using a horizontal flow reactor, J. Chem. Eng. Data, 50, 804-810, doi:10.1021/JE034137R, 2005.

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

153) Value given here as quoted by Gaffney et al. (1987).
181) Value given here as quoted by Hilal et al. (2008).

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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