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 Constants → Organic species with oxygen (O) → Ketones (RCOR) → 2-hexanone

FORMULA:C6H12O
CAS RN:591-78-6
STRUCTURE
(FROM NIST):
InChIKey:QQZOPKMRPOGIEB-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.5×10−1 8600 Hiatt 2013 M
7.9×10−2 4800 Falabella et al. 2006 M 89) 130)
1.1×10−1 Straver and de Loos 2005 M
8.6×10−2 5100 Chai et al. 2005 M 89)
4.3×10−2 Sato and Nakajima 1979a M 19)
1.1×10−1 HSDB 2015 V
1.1×10−1 Mackay et al. 2006c V
1.1×10−1 Mackay et al. 1995 V
1.0×10−1 Meylan and Howard 1991 V
1.0×10−1 Cabani et al. 1981 V
6200 Della Gatta et al. 1981 T 100)
1.0×10−1 Howard 1993 X 164)
8.2×10−2 Hilal et al. 2008 Q
6600 Kühne et al. 2005 Q
9.2×10−2 Nirmalakhandan et al. 1997 Q
8.5×10−2 Meylan and Howard 1991 Q
6200 Kühne et al. 2005 ?
1.2×10−1 Yaws et al. 1998 ?
1.0×10−1 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.
  • Cabani, S., Gianni, P., Mollica, V., and Lepori, L.: Group contributions to the thermodynamic properties of non-ionic organic solutes in dilute aqueous solution, J. Solution Chem., 10, 563-595, doi:10.1007/BF00646936, 1981.
  • Chai, X.-S., Falabella, J. B., and Teja, A. S.: A relative headspace method for Henry's constants of volatile organic compounds, Fluid Phase Equilib., 231, 239-245, doi:10.1016/J.FLUID.2005.02.006, 2005.
  • 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.
  • 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.
  • Hiatt, M. H.: Determination of Henry's law constants using internal standards with benchmark values, J. Chem. Eng. Data, 58, 902-908, doi:10.1021/JE3010535, 2013.
  • 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.
  • Howard, P. H.: Handbook of Environmental fate and exposure data for organic chemicals. Vol. IV: Solvents 2, Lewis Publishers Inc. Chelsea, Michigan, 1993.
  • 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.
  • 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.
  • Meylan, W. M. and Howard, P. H.: Bond contribution method for estimating Henry's law constants, Environ. Toxicol. Chem., 10, 1283-1293, doi:10.1002/ETC.5620101007, 1991.
  • 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.
  • Sato, A. and Nakajima, T.: Partition coefficients of some aromatic hydrocarbons and ketones in water, blood and oil, Br. J. Ind. Med., 36, 231-234, doi:10.1136/OEM.36.3.231, 1979a.
  • 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.
  • 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

19) Value at T = 310 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.
130) Values for salt solutions are also available from this reference.
164) Value given here as quoted by Mackay et al. (1995).

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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