MPG

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 fluorine (F) → Organic fluorine → 2,2,2-trifluoroethanol

FORMULA:CF3CH2OH
CAS RN:75-89-8
STRUCTURE
(FROM NIST):
InChIKey:RHQDFWAXVIIEBN-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
4.7×10−1 6200 Sander et al. 2011 L
4.7×10−1 6200 Chen et al. 2003 M
5.8×10−1 5900 Rochester and Symonds 1973 M
3.5×10−1 Zhang et al. 2010 Q 107) 108)
2.4×10−1 Zhang et al. 2010 Q 107) 109)
3.8 Zhang et al. 2010 Q 107) 110)
4.7×10−2 Zhang et al. 2010 Q 107) 111)
6.1×10−1 Hilal et al. 2008 Q
6500 Kühne et al. 2005 Q
5.0×10−1 Nirmalakhandan and Speece 1988a Q
5600 Kühne et al. 2005 ?
5.7×10−1 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.
  • Chen, L., Takenaka, N., Bandow, H., and Maeda, Y.: Henry's law constants for C2-C3 fluorinated alcohols and their wet deposition in the atmosphere, Atmos. Environ., 37, 4817-4822, doi:10.1016/J.ATMOSENV.2003.08.002, 2003.
  • 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.
  • Nirmalakhandan, N. N. and Speece, R. E.: QSAR model for predicting Henry's constant, Environ. Sci. Technol., 22, 1349-1357, doi:10.1021/ES00176A016, 1988a.
  • Rochester, H. and Symonds, J. R.: Thermodynamic studies of fluoroalcohols. Part 3. - The thermodynamics of transfer of five fluoroalcohols from the gas-phase to aqueous solution, J. Chem. Soc. Faraday Trans. 1, 69, 1577-1585, doi:10.1039/F19736901577, 1973.
  • 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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