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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 → pentadecafluorooctanoic acid

FORMULA:C8HF15O2
TRIVIAL NAME: perfluorooctanoic acid; PFOA
CAS RN:335-67-1
STRUCTURE
(FROM NIST):
InChIKey:SNGREZUHAYWORS-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
4.9×10−2 Kutsuna and Hori 2008 M
4.0×10−1 Li et al. 2007 M
1.1×10−4 Zhang et al. 2010 Q 107) 108)
1.0×10−2 Zhang et al. 2010 Q 107) 109)
1.2×10−2 Zhang et al. 2010 Q 107) 110)
1.1×10−3 Zhang et al. 2010 Q 107) 111)
1.1×10−4 Zhang et al. 2010 Q 107) 108)
1.0×10−2 Zhang et al. 2010 Q 107) 109)
2.1×10−2 Zhang et al. 2010 Q 107) 110)
1.1×10−3 Zhang et al. 2010 Q 107) 111)
9.5×10−2 Arp et al. 2006 Q 240)
2.0×10−2 Arp et al. 2006 Q 241)

References

  • Arp, H. P. H., Niederer, C., and Goss, K. U.: Predicting the partitioning behavior of various highly fluorinated compounds, Environ. Sci. Technol., 40, 7298-7304, doi:10.1021/ES060744Y, 2006.
  • Kutsuna, S. and Hori, H.: Experimental determination of Henry's law constant of perfluorooctanoic acid (PFOA) at 298 K by means of an inert-gas stripping method with a helical plate, Atmos. Environ., 42, 8883-8892, doi:10.1016/J.ATMOSENV.2008.09.008, 2008.
  • Li, H., Ellis, D., and Mackay, D.: Measurement of low air-water partition coefficients of organic acids by evaporation from a water surface, J. Chem. Eng. Data, 52, 1580-1584, doi:10.1021/JE600556D, 2007.
  • 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

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.
240) Calculated using the new SPARC method, see Arp et al. (2006) for details.
241) Calculated using the COSMOtherm method, see Arp et al. (2006) for details.

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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