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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 ConstantsOrganic species with nitrogen (N)Amines (C, H, N) → aminobenzene

FORMULA:C6H7N
TRIVIAL NAME: aniline
CAS RN:62-53-3
STRUCTURE
(FROM NIST):
InChIKey:PAYRUJLWNCNPSJ-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
5.2 Altschuh et al. 1999 M
1.2 Heal et al. 1995 M 147)
5.0 Jayasinghe et al. 1992 M
1.1 Dallos et al. 1983 M 220)
4.6 6500 Bernauer et al. 2006 V
6.0 Mackay et al. 2006d V
6.0 Schüürmann 2000 V
7.1×10−5 Lide and Frederikse 1995 V
6.0 Mackay et al. 1995 V
5.5 Hwang et al. 1992 V
3.4 Yoshida et al. 1983 V
7.1×10−5 Howard 1989 X 142)
8.2×10−2 Howard 1989 X 164)
5.1 Hilal et al. 2008 Q
6200 Kühne et al. 2005 Q
8.2×10−2 Mackay et al. 2006d ?
7100 Kühne et al. 2005 ?
4.3 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.
  • Altschuh, J., Brüggemann, R., Santl, H., Eichinger, G., and Piringer, O. G.: Henry's law constants for a diverse set of organic chemicals: Experimental determination and comparison of estimation methods, Chemosphere, 39, 1871-1887, doi:10.1016/S0045-6535(99)00082-X, 1999.
  • Bernauer, M., Dohnal, V., Roux, A. H., Roux-Desgranges, G., and Majer, V.: Temperature dependences of limiting activity coefficients and Henry's law constants for nitrobenzene, aniline, and cyclohexylamine in water, J. Chem. Eng. Data, 51, 1678-1685, doi:10.1021/JE060136Y, 2006.
  • Dallos, A., Ország, I., and Ratkovics, F.: Liquid—liquid and vapour—liquid equilibrium data and calculations for the system aniline + water in the presence of NaCl, NaI, NH4Cl and NH4I, Fluid Phase Equilib., 11, 91-102, doi:10.1016/0378-3812(83)85008-0, 1983.
  • Heal, M. R., Pilling, M. J., Titcombe, P. E., and Whitaker, B. J.: Mass accommodation of aniline, phenol and toluene on aqueous droplets, Geophys. Res. Lett., 22, 3043-3046, doi:10.1029/95GL02944, 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.
  • Howard, P. H.: Handbook of Environmental fate and exposure data for organic chemicals. Vol. I: Large production and priority pollutants, Lewis Publishers Inc. Chelsea, Michigan, 1989.
  • Hwang, Y.-L., Olson, J. D., and Keller, II, G. E.: Steam stripping for removal of organic pollutants from water. 2. Vapor-liquid equilibrium data, Ind. Eng. Chem. Res., 31, 1759-1768, doi:10.1021/IE00007A022, 1992.
  • Jayasinghe, D. S., Brownawell, B. J., Chen, H., and Westall, J. C.: Determination of Henry's constants of organic compounds of low volatility: methylanilines in methanol-water, Environ. Sci. Technol., 26, 2275-2281, doi:10.1021/ES00035A028, 1992.
  • 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.
  • Lide, D. R. and Frederikse, H. P. R., eds.: CRC Handbook of Chemistry and Physics, 76th Edition, CRC Press, Inc., Boca Raton, FL, 1995.
  • 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. IV of Nitrogen and Sulfur Containing Compounds and Pesticides , CRC/Taylor & Francis Group, 2006d.
  • Schüürmann, G.: Prediction of Henry's law constant of benzene derivatives using quantum chemical continuum-solvation models, J. Comput. Chem., 21, 17-34, doi:10.1002/(SICI)1096-987X(20000115)21:1<17::AID-JCC3>3.0.CO;2-5, 2000.
  • Yoshida, K., Shigeoka, T., and Yamauchi, F.: Non-steady state equilibrium model for the preliminary prediction of the fate of chemicals in the environment, Ecotoxicol. Environ. Saf., 7, 179-190, doi:10.1016/0147-6513(83)90064-7, 1983.

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

142) Value given here as quoted by Haynes (2014).
147) Value at T = 283 K.
164) Value given here as quoted by Mackay et al. (1995).
220) Value at T = 323 K.

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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