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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 chlorine (Cl) → Chlorofluorocarbons (C, H, O, N, F, Cl) → chlorotrifluoromethane

FORMULA:CF3Cl
TRIVIAL NAME: R13
CAS RN:75-72-9
STRUCTURE
(FROM NIST):
InChIKey:AFYPFACVUDMOHA-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
9.9×10−6 1700 Sander et al. 2011 L 279)
9.3×10−6 1600 Wilhelm et al. 1977 L
8.6×10−6 2200 Reichl 1995 M
9.2×10−6 1900 Scharlin and Battino 1994 M
7.8×10−6 Park et al. 1982 M
1.5×10−4 Mackay et al. 1993 V
5.7×10−6 Hine and Mookerjee 1975 V
7.2×10−6 Hilal et al. 2008 C
5.7×10−6 Irmann 1965 C
2.6×10−5 Hilal et al. 2008 Q
2600 Kühne et al. 2005 Q
1.4×10−5 Nirmalakhandan and Speece 1988a Q
5.1×10−6 Irmann 1965 Q
2000 Kühne et al. 2005 ?
8.8×10−6 Yaws 1999 ?
8.7×10−6 Yaws and Yang 1992 ? 92)

References

  • 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.
  • Hine, J. and Mookerjee, P. K.: The intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions, J. Org. Chem., 40, 292-298, doi:10.1021/JO00891A006, 1975.
  • Irmann, F.: Eine einfache Korrelation zwischen Wasserlöslichkeit und Struktur von Kohlenwasserstoffen und Halogenkohlenwasserstoffen, Chem.-Ing.-Tech., 37, 789-798, doi:10.1002/CITE.330370802, 1965.
  • 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., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Volatile Organic Chemicals , Lewis Publishers, Boca Raton, 1993.
  • 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.
  • Park, T., Rettich, T. R., Battino, R., Peterson, D., and Wilhelm, E.: Solubility of gases in liquids. 14. Bunsen coefficients for several fluorine-containing gases (Freons) dissolved in water at 298.15 K, J. Chem. Eng. Data, 27, 324-326, doi:10.1021/JE00029A027, 1982.
  • Reichl, A.: Messung und Korrelierung von Gaslöslichkeiten halogenierter Kohlenwasserstoffe, Ph.D. thesis, Technische Universität Berlin, Germany, 1995.
  • 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.
  • Scharlin, P. and Battino, R.: Solubility of CCl2F2, CClF3, CF4 and c-C4F8 in H2O and D2O at 288 to 318 K and 101.325 kPa. Thermodynamics of transfer of gases from H2O to D2O, Fluid Phase Equilib., 95, 137-147, doi:10.1016/0378-3812(94)80066-9, 1994.
  • Wilhelm, E., Battino, R., and Wilcock, R. J.: Low-pressure solubility of gases in liquid water, Chem. Rev., 77, 219-262, doi:10.1021/CR60306A003, 1977.
  • Yaws, C. L., ed.: Chemical Properties Handbook, McGraw-Hill, Inc., 1999.
  • 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.
279) The H298 and A,B data listed in Table 5.4 of Sander et al. (2011) are inconsistent, with 5 % difference.

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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