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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) → trichlorofluoromethane

FORMULA:CFCl3
TRIVIAL NAME: R11
CAS RN:75-69-4
STRUCTURE
(FROM NIST):
InChIKey:CYRMSUTZVYGINF-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.1×10−4 3400 Warneck and Williams 2012 L
1.1×10−4 3300 Sander et al. 2011 L
1.1×10−4 3300 Sander et al. 2006 L
1.1×10−4 3300 Staudinger and Roberts 2001 L
1.0×10−4 3100 Staudinger and Roberts 1996 L
2.8×10−4 5100 Hiatt 2013 M
1.0×10−4 3700 Maaßen 1995 M
1.4×10−4 3800 Reichl 1995 M
9.9×10−5 3500 Ashworth et al. 1988 M 103)
1.0×10−4 3600 Warner and Weiss 1985 M
7.8×10−5 3900 Wisegarver and Cline 1985 M 127)
1.1×10−4 2700 Hunter-Smith et al. 1983 M 251)
1.1×10−4 Park et al. 1982 M
1.7×10−4 Warner et al. 1980 M
1.1×10−4 2100 Balls 1980 M
1.2×10−5 Pearson and McConnell 1975 M 9) 248)
7.8×10−5 Mackay et al. 2006b V
9.9×10−5 6100 Fogg and Sangster 2003 V
7.8×10−5 Mackay et al. 1993 V
9.0×10−5 Yoshida et al. 1983 V
9.0×10−5 Mackay and Shiu 1981 V
9.5×10−5 Warner et al. 1980 V
9.8×10−5 Irmann 1965 V
1.7×10−4 730 Goldstein 1982 X 116)
1.0×10−4 Hilal et al. 2008 C
1.7×10−4 Ryan et al. 1988 C
1.7×10−4 Shen 1982 C
8.1×10−5 Liss and Slater 1974 C
1.7×10−4 Hilal et al. 2008 Q
3300 Kühne et al. 2005 Q
8.6×10−5 Irmann 1965 Q
9.8×10−5 Mackay et al. 2006b ?
3800 Kühne et al. 2005 ?
8.1×10−5 Yaws 1999 ?
9.8×10−5 Mackay et al. 1993 ?
8.1×10−5 Yaws and Yang 1992 ? 92)

References

  • Ashworth, R. A., Howe, G. B., Mullins, M. E., and Rogers, T. N.: Air-water partitioning coefficients of organics in dilute aqueous solutions, J. Hazard. Mater., 18, 25-36, doi:10.1016/0304-3894(88)85057-X, 1988.
  • Balls, P. W.: Gas transfer across air-water interfaces, Ph.D. thesis, University of East Anglia, Great Britain, 1980.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • Goldstein, D. J.: Air and steam stripping of toxic pollutants, Appendix 3: Henry's law constants, Tech. Rep. EPA-68-03-002, Industrial Environmental Research Laboratory, Cincinnati, OH, USA, 1982.
  • Hiatt, M. H.: Determination of Henry's law constants using internal standards with benchmark values, J. Chem. Eng. Data, 58, 902-908, doi:10.1021/JE3010535, 2013.
  • 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.
  • Hunter-Smith, R. J., Balls, P. W., and Liss, P. S.: Henry's law constants and the air-sea exchange of various low molecular weight halocarbon gases, Tellus, 35B, 170-176, doi:10.1111/J.1600-0889.1983.TB00021.X, 1983.
  • 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.
  • Liss, P. S. and Slater, P. G.: Flux of gases across the air-sea interface, Nature, 247, 181-184, doi:10.1038/247181A0, 1974.
  • Maaßen, S.: Experimentelle Bestimmung und Korrelierung von Verteilungskoeffizienten in verdünnten Lösungen, Ph.D. thesis, Technische Universität Berlin, Germany, 1995.
  • Mackay, D. and Shiu, W. Y.: A critical review of Henry's law constants for chemicals of environmental interest, J. Phys. Chem. Ref. Data, 10, 1175-1199, doi:10.1063/1.555654, 1981.
  • 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.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. II of Halogenated Hydrocarbons , CRC/Taylor & Francis Group, 2006b.
  • 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.
  • Pearson, C. R. and McConnell, G.: Chlorinated C1 and C2 hydrocarbons in the marine environment, Proc. R. Soc. Lond. B, 189, 305-332, doi:10.1098/RSPB.1975.0059, 1975.
  • Reichl, A.: Messung und Korrelierung von Gaslöslichkeiten halogenierter Kohlenwasserstoffe, Ph.D. thesis, Technische Universität Berlin, Germany, 1995.
  • Ryan, J. A., Bell, R. M., Davidson, J. M., and O'Connor, G. A.: Plant uptake of non-ionic organic chemicals from soils, Chemosphere, 17, 2299-2323, doi:10.1016/0045-6535(88)90142-7, 1988.
  • Sander, S. P., Friedl, R. R., Golden, D. M., Kurylo, M. J., Moortgat, G. K., Keller-Rudek, H., Wine, P. H., Ravishankara, A. R., Kolb, C. E., Molina, M. J., Finlayson-Pitts, B. J., Huie, R. E., and Orkin, V. L.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15, JPL Publication 06-2, Jet Propulsion Laboratory, Pasadena, CA, http://jpldataeval.jpl.nasa.gov, 2006.
  • 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.
  • Shen, T. T.: Estimation of organic compound emissions from waste lagoons, J. Air Pollut. Control Assoc., 32, 79-82, doi:10.1080/00022470.1982.10465374, 1982.
  • Staudinger, J. and Roberts, P. V.: A critical review of Henry's law constants for environmental applications, Crit. Rev. Environ. Sci. Technol., 26, 205-297, doi:10.1080/10643389609388492, 1996.
  • 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.
  • Warneck, P. and Williams, J.: The Atmospheric Chemist's Companion: Numerical Data for Use in the Atmospheric Sciences, Springer Verlag, doi:10.1007/978-94-007-2275-0, 2012.
  • Warner, M. J. and Weiss, R. F.: Solubilities of chlorofluorocarbons 11 and 12 in water and seawater, Deep-Sea Res. A, 32, 1485-1497, 1985.
  • Warner, H. P., Cohen, J. M., and Ireland, J. C.: Determination of Henry's law constants of selected priority pollutants, Tech. rep., U.S. EPA, Municipal Environmental Research Laboratory, Wastewater Research Division, Cincinnati, Ohio, 45268, USA, 1980.
  • Wisegarver, D. P. and Cline, J. D.: Solubility of trichlorofluoromethane (F-11) and dichlorodifluoromethane (F-12) in seawater and its relationship to surface concentrations in the North Pacific, Deep-Sea Res. A, 32, 97-106, 1985.
  • 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.
  • 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

9) Value at T = 293 K.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
103) The value is most probably taken from the report by Howe et al. (1987).
116) Value given here as quoted by Staudinger and Roberts (1996).
127) Solubility in sea water.
248) The same data were also published in McConnell et al. (1975).
251) Probably an interpolation of the data from Balls (1980).

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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