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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

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

FORMULA:CF2Cl2
TRIVIAL NAME: R12
CAS RN:75-71-8
STRUCTURE
(FROM NIST):
InChIKey:PXBRQCKWGAHEHS-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.0×10−5 3400 Warneck and Williams (2012) L
3.0×10−5 3500 Sander et al. (2011) L
3.0×10−5 3500 Sander et al. (2006) L
3.1×10−5 3500 Staudinger and Roberts (2001) L
2.1×10−5 1800 Wilhelm et al. (1977) L
1.3×10−4 5500 Hiatt (2013) M
3.0×10−5 3000 Reichl (1995) M
2.9×10−5 2700 Scharlin and Battino (1994) M
3.1×10−5 3500 Munz and Roberts (1987) M
2.9×10−5 3200 Warner and Weiss (1985) M
2.3×10−5 3400 Wisegarver and Cline (1985) M 127)
2.9×10−5 Park et al. (1982) M
2.5×10−5 Pearson and McConnell (1975) M 9) 248)
2.4×10−5 Mackay et al. (2006b) V
2.4×10−5 Mackay et al. (1993) V
2.3×10−5 Mackay and Shiu (1981) V
2.3×10−5 Hine and Mookerjee (1975) V
3.5×10−6 -210 Goldstein (1982) X 116)
3.6×10−5 Hilal et al. (2008) C
6.4×10−6 Ryan et al. (1988) C
2.3×10−5 Irmann (1965) C
5.4×10−5 Hilal et al. (2008) Q
3000 Kühne et al. (2005) Q
4.7×10−5 Nirmalakhandan and Speece (1988a) Q
2.0×10−5 Irmann (1965) Q
3400 Kühne et al. (2005) ?
2.5×10−5 Yaws (1999) ?
2.5×10−5 Yaws and Yang (1992) ? 92)

References

  • 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., & 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. & 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., & 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.: 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., & 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., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. II of Halogenated Hydrocarbons, CRC/Taylor & Francis Group (2006b).
  • Munz, C. & Roberts, P. V.: Air-water phase equilibria of volatile organic solutes, J. Am. Water Works Assoc., 79, 62–69, doi:10.1002/J.1551-8833.1987.TB02844.X (1987).
  • Nirmalakhandan, N. N. & 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., & 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. & 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., & 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., & 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, URL 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., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, URL http://jpldataeval.jpl.nasa.gov (2011).
  • Scharlin, P. & 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).
  • Staudinger, J. & 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. & 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. & Weiss, R. F.: Solubilities of chlorofluorocarbons 11 and 12 in water and seawater, Deep-Sea Res. A, 32, 1485–1497 (1985).
  • Wilhelm, E., Battino, R., & Wilcock, R. J.: Low-pressure solubility of gases in liquid water, Chem. Rev., 77, 219–262, doi:10.1021/CR60306A003 (1977).
  • Wisegarver, D. P. & 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. & 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

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.
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).

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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