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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) → 3-pentanone

FORMULA:C2H5COC2H5
CAS RN:96-22-0
STRUCTURE
(FROM NIST):
InChIKey:FDPIMTJIUBPUKL-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.6×10−1 5600 Ji and Evans 2007 M
7.0×10−2 Sato and Nakajima 1979a M 19)
9.7×10−5 Saylor et al. 1938 M 23)
8.4×10−2 Mackay et al. 2006c V
1.2×10−1 Mackay et al. 1995 V
8.4×10−2 Mackay et al. 1995 V
2.8×10−1 Rathbun and Tai 1982 V
1.3×10−1 6000 Bagno et al. 1991 T 196)
6000 Della Gatta et al. 1981 T 100)
2.0×10−1 9200 Janini and Quaddora 1986 X 116)
1.1×10−1 Howard 1993 X 164)
1.3×10−1 Cabani et al. 1981 C
9.2×10−2 Hilal et al. 2008 Q
6200 Kühne et al. 2005 Q
1.2×10−1 Nirmalakhandan et al. 1997 Q
6800 Kühne et al. 2005 ?
1.2×10−1 Yaws et al. 1998 ?
1.3×10−1 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.
  • 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.
  • 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.
  • 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.
  • Howard, P. H.: Handbook of Environmental fate and exposure data for organic chemicals. Vol. IV: Solvents 2, Lewis Publishers Inc. Chelsea, Michigan, 1993.
  • 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.
  • 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.
  • 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.
  • Rathbun, R. E. and Tai, D. Y.: Volatilization of ketones from water, Water Air Soil Pollut., 17, 281-293, doi:10.1007/BF00283158, 1982.
  • 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.
  • Saylor, J. H., Stuckey, J. M., and Gross, P. M.: Solubility studies. V. the validity of Henry's law for the calculation of vapor solubilities, J. Am. Chem. Soc., 60, 373-376, doi:10.1021/JA01269A041, 1938.
  • 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.
23) Value at T = 303 K.
100) Calculated from the solvation enthalpy, using the van 't Hoff equation.
116) Value given here as quoted by Staudinger and Roberts (1996).
164) Value given here as quoted by Mackay et al. (1995).
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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