MPG

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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Errata

Contact, Impressum, Acknowledgements


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 → trifluralin

FORMULA:C13H16F3N3O4
CAS RN:1582-09-8
STRUCTURE
(FROM NIST):
InChIKey:ZSDSQXJSNMTJDA-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
9.5×10−2 Rice et al. 1997b M 9)
9.1×10−1 Watanabe 1993 M
1.9×10−1 Fendinger et al. 1989 M 126)
1.7×10−1 Fendinger et al. 1989 M 245)
Mackay et al. 2006d V 221)
2.5×10−1 Suntio et al. 1988 V 9)
3.8 Sanders and Seiber 1983 V 31)
9.6×10−2 HSDB 2015 C
1.7 Hilal et al. 2008 Q
5000 Kühne et al. 2005 Q
2100 Kühne et al. 2005 ?

References

  • Fendinger, N. J., Glotfelty, D. E., and Freeman, H. P.: Comparison of two experimental techniques for determining air/water Henry's law constants, Environ. Sci. Technol., 23, 1528-1531, doi:10.1021/ES00070A013, 1989.
  • 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.
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
  • 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.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Nitrogen and Sulfur Containing Compounds and Pesticides , CRC/Taylor & Francis Group, 2006d.
  • Rice, C. P., Chernyak, S. M., and McConnell, L. L.: Henry's law constants for pesticides measured as a function of temperature and salinity, J. Agric. Food Chem., 45, 2291-2298, doi:10.1021/JF960834U, 1997b.
  • Sanders, P. F. and Seiber, J. N.: A chamber for measuring volatilization of pesticides from model soil and water disposal systems, Chemosphere, 12, 999-1012, doi:10.1016/0045-6535(83)90252-7, 1983.
  • Suntio, L. R., Shiu, W. Y., Mackay, D., Seiber, J. N., and Glotfelty, D.: Critical review of Henry's law constants for pesticides, Rev. Environ. Contam. Toxicol., 103, 1-59, doi:10.1007/978-1-4612-3850-8_1, 1988.
  • Watanabe, T.: Relationship between volatilization rates and physicochemical properties of some pesticides, J. Pestic. Sci., 18, 201-209, doi:10.1584/JPESTICS.18.3_201, 1993.

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

9) Value at T = 293 K.
31) Value at T = 295 K.
126) Value at T = 296 K.
221) Mackay et al. (2006d) list a vapor pressure p, a solubility c, and a Henry's law constant calculated as p/c. However, the data are internally inconsistent and deviate by more than 10 %.
245) Measured with the wetted-wall column at room temperature.

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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