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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 fluorine (F)Organic fluorine → hexafluoroethane

FORMULA:C2F6
CAS RN:76-16-4
STRUCTURE
(FROM NIST):
InChIKey:WMIYKQLTONQJES-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
6.5×10−7 2100 Bonifácio et al. 2001 M
5.3×10−7 Park et al. 1982 M
5.7×10−7 2900 Wen and Muccitelli 1979 M
4.1×10−7 Zhang et al. 2010 Q 107) 108)
1.1×10−5 Zhang et al. 2010 Q 107) 109)
8.4×10−7 Zhang et al. 2010 Q 107) 110)
1.9×10−6 Zhang et al. 2010 Q 107) 111)
1.2×10−5 Hilal et al. 2008 Q
2600 Kühne et al. 2005 Q
1.2×10−6 1700 Bonifácio et al. 2001 Q
2900 Kühne et al. 2005 ?
5.8×10−7 Yaws and Yang 1992 ? 92)

References

  • Bonifácio, R. P., Pádua, A. A. H., and Costa Gomes, M. F.: Perfluoroalkanes in water: experimental Henry's law coefficients for hexafluoroethane and computer simulations for tetrafluoromethane and hexafluoroethane, J. Phys. Chem. B, 105, 8403-8409, doi:10.1021/JP010597K, 2001.
  • 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.
  • 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.
  • Wen, W.-Y. and Muccitelli, J. A.: Thermodynamics of some perfluorocarbon gases in water, J. Solution Chem., 8, 225-246, doi:10.1007/BF00648882, 1979.
  • 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.
  • 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

92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
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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