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Henry's Law Constants

www.henrys-law.org

Rolf Sander

NEW: Version 5.0.0 has been published in October 2023

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 5.0.0) for water as solvent, Atmos. Chem. Phys., 23, 10901-12440 (2023), doi:10.5194/acp-23-10901-2023

The publication from 2023 replaces that from 2015, which is now obsolete. Please do not cite the old paper anymore.

Henry's Law Constants → Organic species with fluorine (F) → Organic fluorine → 1H,1H,2H,2H-perfluoro-1-octanol

FORMULA:C8H5F13O
TRIVIAL NAME: 6:2 FTOH
CAS RN:647-42-7
STRUCTURE
(FROM NIST):
InChIKey:GRJRKPMIRMSBNK-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
3.3×10−4 4700 Abusallout et al. (2022) M
1.7×10−4 2600 Wu and Chang (2011) M 11)
1.5×10−3 Goss et al. (2006) M
8.5×10−5 7000 Lei et al. (2004) M 329)
9.4×10−4 Eger et al. (1999) M 14)
3.9×10−1 Wu and Chang (2011) V
6.6×10−5 Abusallout et al. (2022) Q 634)
6.5×10−5 Zhang et al. (2010) Q 288) 289)
9.5×10−3 Zhang et al. (2010) Q 288) 290)
3.4×10−3 Zhang et al. (2010) Q 288) 291)
9.9×10−6 Zhang et al. (2010) Q 288) 292)
2.8×10−4 Arp et al. (2006) Q 635)
1.8×10−5 Arp et al. (2006) Q 636)
1.8×10−3 8000 Goss et al. (2006) Q

Data

The first column contains Henry's law solubility constant Hscp at the reference temperature of 298.15 K.
The second column contains the temperature dependence d ln Hs cp / d (1/T), also at the reference temperature.

References

  • Abusallout, I., Holton, C., Wang, J., & Hanigan, D.: Henry’s Law constants of 15 per- and polyfluoroalkyl substances determined by static headspace analysis, J. Hazard. Mater. Lett., 3, 100 070, doi:10.1016/J.HAZL.2022.100070 (2022).
  • Arp, H. P. H., Niederer, C., & Goss, K. U.: Predicting the partitioning behavior of various highly fluorinated compounds, Environ. Sci. Technol., 40, 7298–7304, doi:10.1021/ES060744Y (2006).
  • Eger, II, E. I., Ionescu, P., Laster, M. J., Gong, D., Hudlicky, T., Kendig, J. J., Harris, R. A., Trudell, J. R., & Pohorille, A.: Minimum alveolar anesthetic concentration of fluorinated alkanols in rats: relevance to theories of narcosis, Anesth. Analg., 88, 867–876, doi:10.1213/00000539-199904000-00035 (1999).
  • Goss, K. U., Bronner, G., Harner, T., Hertel, M., & 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., & 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. & 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., & 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 (2023) for further details.

Notes

11) Measured at high temperature and extrapolated to T⊖ = 298.15 K.
14) Value at T = 310 K.
288) Data taken from the supplement.
289) Calculated using the EPI Suite (v4.0) method.
290) Calculated using the SPARC (v4.2) method.
291) Calculated using the COSMOtherm (v2.1) method.
292) Calculated using the ABSOLV (ADMEBoxes v4.1) method.
329) Extrapolated from data above 298 K.
634) Calculated using the EPI Suite Bond estimation method.
635) Calculated using the new SPARC method; see Arp et al. (2006) for details.
636) Calculated using the COSMOtherm method; see Arp et al. (2006) for details.

The numbers of the notes are the same as in Sander (2023). References cited in the notes can be found here.

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