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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 → 1H,1H,2H,2H-perfluorohexan-1-ol

FORMULA:C6H5F9O
TRIVIAL NAME: 4:2 FTOH
CAS RN:2043-47-2
STRUCTURE
(FROM NIST):
InChIKey:JCMNMOBHVPONLD-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
6.6×10−3 4500 Wu and Chang 2011 M 89)
1.3×10−2 Goss et al. 2006 M
6.1×10−5 5400 Lei et al. 2004 M 122)
5.6×10−1 Wu and Chang 2011 V
1.8×10−3 Zhang et al. 2010 Q 107) 108)
1.3×10−1 Zhang et al. 2010 Q 107) 109)
8.2×10−3 Zhang et al. 2010 Q 107) 110)
2.4×10−4 Zhang et al. 2010 Q 107) 111)
4.3×10−4 Arp et al. 2006 Q 240)
3.1×10−5 Arp et al. 2006 Q 241)
7.2×10−3 7200 Goss et al. 2006 Q

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.
  • Goss, K. U., Bronner, G., Harner, T., Hertel, M., and Schmidt, T.: The partition behavior of fluorotelomer alcohols and olefins, Environ. Sci. Technol., 40, 3572-3577, doi:10.1021/ES060004P, 2006.
  • Lei, Y. D., Wania, F., Mathers, D., and Mabury, S. A.: Determination of vapor pressures, octanol-air, and water-air partition coefficients for polyfluorinated sulfonamide, sulfonamidoethanols, and telomer alcohols, J. Chem. Eng. Data, 49, 1013-1022, doi:10.1021/JE049949H, 2004.
  • Wu, Y. and Chang, V. W.-C.: The effect of surface adsorption and molecular geometry on the determination of Henry's law constants for fluorotelomer alcohols, J. Chem. Eng. Data, 56, 3442-3448, doi:10.1021/JE200466W, 2011.
  • 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

89) Measured at high temperature and extrapolated to T = 298.15 K.
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.
122) Extrapolated from data above 298 K.
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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