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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 Please do not cite the old paper anymore.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 ConstantsOrganic species with fluorine (F)Organic fluorine → trifluoroethanoic acid, methyl ester

FORMULA:CF3COOCH3
TRIVIAL NAME: methyl trifluoroacetate
CAS RN:431-47-0
STRUCTURE
(FROM NIST):
InChIKey:VMVNZNXAVJHNDJ-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
1.1×10−3 5300 Burkholder et al. (2019) L 639) 640)
1.1×10−3 5300 Burkholder et al. (2015) L 641) 642)
1.1×10−3 5300 Sander et al. (2011) L 643)
1.2×10−3 4900 Kutsuna et al. (2004) M
6100 Kühne et al. (2005) Q
5800 Kühne et al. (2005) ?

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

  • Burkholder, J. B., Sander, S. P., Abbatt, J., Barker, J. R., Huie, R. E., Kolb, C. E., Kurylo, M. J., Orkin, V. L., Wilmouth, D. M., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 18, JPL Publication 15-10, Jet Propulsion Laboratory, Pasadena, URL https://jpldataeval.jpl.nasa.gov (2015).
  • Burkholder, J. B., Sander, S. P., Abbatt, J., Barker, J. R., Cappa, C., Crounse, J. D., Dibble, T. S., Huie, R. E., Kolb, C. E., Kurylo, M. J., Orkin, V. L., Percival, C. J., Wilmouth, D. M., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 19, JPL Publication 19-5, Jet Propulsion Laboratory, Pasadena, URL https://jpldataeval.jpl.nasa.gov (2019).
  • Kühne, R., Ebert, R.-U., & 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).
  • Kutsuna, S., Chen, L., Ohno, K., Tokuhashi, K., & Sekiya, A.: Henry’s law constants and hydrolysis rate constants of 2,2,2-trifluoroethyl acetate and methyl trifluoroacetate, Atmos. Environ., 38, 725–732, doi:10.1016/J.ATMOSENV.2003.10.019 (2004).
  • Sander, S. P., Abbatt, J., Barker, J. R., Burkholder, J. B., Friedl, R. R., Golden, D. M., Huie, R. E., Kolb, C. E., Kurylo, M. J., Moortgat, G. K., Orkin, V. L., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, URL https://jpldataeval.jpl.nasa.gov (2011).

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

639) A refit yields A = −21.67, B = 5776, and H(298 K) = 0.10 M atm−1 (Robert E. Huie, personal communication, 2021).
640) The H298 and A, B data listed in Table 5-4 of Burkholder et al. (2019) are inconsistent, with 29 % difference.
641) A refit yields A = −21.67, B = 5776, and H(298 K) = 0.10 M atm−1 (Robert E. Huie, personal communication, 2021).
642) The H298 and A, B data listed in Table 5-4 of Burkholder et al. (2015) are inconsistent, with 29 % difference.
643) The H298 and A, B data listed in Table 5.4 of Sander et al. (2011) are inconsistent, with 29 % difference.

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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