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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 → octafluorocyclobutane

FORMULA:C4F8
CAS RN:115-25-3
STRUCTURE
(FROM NIST):
InChIKey:BCCOBQSFUDVTJQ-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.3×10−6 3100 Clever et al. 2005 L 237)
1.3×10−6 2900 Scharlin and Battino 1994 M
1.2×10−6 Park et al. 1982 M
1.2×10−6 3800 Wen and Muccitelli 1979 M
1.3×10−7 Zhang et al. 2010 Q 107) 108)
1.6×10−6 Zhang et al. 2010 Q 107) 109)
2.2×10−6 Zhang et al. 2010 Q 107) 110)
1.0×10−6 Zhang et al. 2010 Q 107) 111)
9.2×10−6 Hilal et al. 2008 Q
4500 Kühne et al. 2005 Q
3800 Kühne et al. 2005 ?
2.5×10−6 Yaws and Yang 1992 ? 92) 146)

References

  • Clever, H. L., Battino, R., Jaselskis, B., Yampol'skii, Y. P., Jaselskis, B., Scharlin, P., and Young, C. L.: IUPAC-NIST solubility data series. 80. gaseous fluorides of boron, nitrogen, sulfur, carbon, and silicon and solid xenon fluorides in all solvents, J. Phys. Chem. Ref. Data, 34, 201-438, doi:10.1063/1.1794762, 2005.
  • 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.
  • 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.
  • 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.
146) Value at T = 299 K.
237) In their Table 13, Clever et al. (2005) list Ostwald coefficients that are probably incorrect by a factor of 100. Therefore, these values are not used. Instead, H is calculated using the mol fraction x1 from the same table.

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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