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Henry's Law Constants

Rolf Sander

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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 fluorine (F) → Organic fluorine → trifluoroethanoic acid

FORMULA:CF3COOH
TRIVIAL NAME: trifluoroacetic acid
CAS RN:76-05-1
STRUCTURE
(FROM NIST):
InChIKey:DTQVDTLACAAQTR-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
8.9×101 9300 Sander et al. 2011 L
5.7×101 4100 Kutsuna and Horia 2008 M
8.8×101 9300 Bowden et al. 1996 M
2.3 Zhang et al. 2010 Q 107) 108)
1.6×10−1 Zhang et al. 2010 Q 107) 109)
8.0 Zhang et al. 2010 Q 107) 110)
3.9 Zhang et al. 2010 Q 107) 111)
4.0×10−1 Hilal et al. 2008 Q
7700 Kühne et al. 2005 Q
9400 Kühne et al. 2005 ?

References

  • Bowden, D. J., Clegg, S. L., and Brimblecombe, P.: The Henry's law constant of trifluoroacetic acid and its partitioning into liquid water in the atmosphere, Chemosphere, 32, 405-420, doi:10.1016/0045-6535(95)00330-4, 1996.
  • 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.
  • Kutsuna, S. and Horia, H.: Experimental determination of Henry's law constants of trifluoroacetic acid at 278-298 K, Atmos. Environ., 42, 1399-1412, doi:10.1016/J.ATMOSENV.2007.11.009, 2008.
  • Sander, S. P., Abbatt, J., Barker, J. R., Burkholder, J. B., Friedl, R. R., Golden, D. M., Huie, R. E., Kolb, C. E., Kurylo, M. J., Moortgat, G. K., Orkin, V. L., and Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, http://jpldataeval.jpl.nasa.gov, 2011.
  • Zhang, X., Brown, T. N., Wania, F., Heimstad, E. S., and Goss, K.-U.: Assessment of chemical screening outcomes based on different partitioning property estimation methods, Environ. Int., 36, 514-520, doi:10.1016/J.ENVINT.2010.03.010, 2010.

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

107) Data taken from the supplement.
108) Calculated using the EPI Suite (v4.0) method.
109) Calculated using the SPARC (v4.2) method.
110) Calculated using the COSMOtherm (v2.1) method.
111) Calculated using the ABSOLV (ADMEBoxes v4.1) method.

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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