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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)Heterocycles with nitrogen (C, H, N) → 3-methylpyridine

FORMULA:C5H4NCH3
TRIVIAL NAME: 3-picoline; β-picoline
CAS RN:108-99-6
STRUCTURE
(FROM NIST):
InChIKey:ITQTTZVARXURQS-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
4.2×10−1 Chaintreau et al. 1995 M
1.3 6300 Andon et al. 1954 M 129)
8.8×10−1 Hilal et al. 2008 Q
6400 Kühne et al. 2005 Q
1.3 Nirmalakhandan et al. 1997 Q
1.3 Mackay et al. 2006d ?
6300 Kühne et al. 2005 ?
5.4×10−1 Yaws and Yang 1992 ? 92)
1.3 Abraham et al. 1990 ?
Staudinger and Roberts 2001 W 223)

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.
  • Andon, R. J. L., Cox, J. D., and Herington, E. F. G.: Phase relationships in the pyridine series. Part V. The thermodynamic properties of dilute solutions of pyridine bases in water at 25 ° and 40 °, J. Chem. Soc., pp. 3188-3196, doi:10.1039/JR9540003188, 1954.
  • Chaintreau, A., Grade, A., and Muñoz-Box, R.: Determination of partition coefficients and quantitation of headspace volatile compounds, Anal. Chem., 67, 3300-3304, doi:10.1021/AC00114A029, 1995.
  • 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.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and 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., 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.
  • Staudinger, J. and Roberts, P. V.: A critical compilation of Henry's law constant temperature dependence relations for organic compounds in dilute aqueous solutions, Chemosphere, 44, 561-576, doi:10.1016/S0045-6535(00)00505-1, 2001.
  • Yaws, C. L. and Yang, H.-C.: Henry's law constant for compound in water, in: Thermodynamic and Physical Property Data, edited by Yaws, C. L., pp. 181-206, Gulf Publishing Company, Houston, TX, 1992.

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

92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
129) Calculated using Gh and Hh from Table 2 in Andon et al. (1954). Note that the thermodynamic functions in that table are not based on their α in Table 1. Instead, the expression exp(−Gh/(RT)) yields the Henry's law constant Hxp in the unit 1/atm.
223) Due to an apparently incorrect definition of the Henry's law constant by Andon et al. (1954), Staudinger and Roberts (2001) quote incorrect values from that paper.

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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