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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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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 nitrogen (N)Nitriles (C, H, N) → butane nitrile

FORMULA:C3H7CN
TRIVIAL NAME: butyronitrile
CAS RN:109-74-0
STRUCTURE
(FROM NIST):
InChIKey:KVNRLNFWIYMESJ-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.7×10−1 5100 Ji and Evans (2007) M
1.3×10−1 Ramachandran et al. (1996) M
1.9×10−1 Li and Carr (1993) M
1.4×10−1 Hawthorne et al. (1985) M
1.9×10−1 Butler and Ramchandani (1935) M
3.5×10−1 Hilal et al. (2008) Q
4900 Kühne et al. (2005) Q
1.9×10−2 Nirmalakhandan et al. (1997) Q
1.9×10−1 Mackay et al. (2006d) ?
4700 Kühne et al. (2005) ?
1.9×10−1 Abraham et al. (1990) ?

References

  • Abraham, M. H., Whiting, G. S., Fuchs, R., & 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).
  • Butler, J. A. V. & Ramchandani, C. N.: The solubility of non-electrolytes. Part II. The influence of the polar group on the free energy of hydration of aliphatic compounds, J. Chem. Soc., pp. 952–955, doi:10.1039/JR9350000952 (1935).
  • Hawthorne, S. B., Sievers, R. E., & Barkley, R. M.: Organic emissions from shale oil wastewaters and their implications for air quality, Environ. Sci. Technol., 19, 992–997, doi:10.1021/ES00140A018 (1985).
  • Hilal, S. H., Ayyampalayam, S. N., & 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).
  • Ji, C. & 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., & 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).
  • Li, J. & Carr, P. W.: Measurement of water-hexadecane partition coefficients by headspace gas chromatography and calculation of limiting activity coefficients in water, Anal. Chem., 65, 1443–1450, doi:10.1021/AC00058A023 (1993).
  • Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Nitrogen and Sulfur Containing Compounds and Pesticides, CRC/Taylor & Francis Group (2006d).
  • Nirmalakhandan, N., Brennan, R. A., & 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).
  • Ramachandran, B. R., Allen, J. M., & Halpern, A. M.: Air-water partitioning of environmentally important organic compounds, J. Chem. Educ., 73, 1058–1061, doi:10.1021/ED073P1058 (1996).

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

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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