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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

Notes

References

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 Constants → Organic species with chlorine (Cl) → Chlorocarbons with nitrogen (C, H, O, N, Cl) → metolachlor

FORMULA:C15H22ClNO2
CAS RN:51218-45-2
STRUCTURE
(FROM NIST):
InChIKey:WVQBLGZPHOPPFO-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
7.5×102 Muir et al. 2004 L 144)
7.2×102 Muir et al. 2004 L 143)
6.2×102 15000 Fogg and Sangster 2003 L
2.1×102 10000 Feigenbrugel et al. 2004a M
1.3×102 Rice et al. 1997b M 9)
4.3×102 Mackay et al. 2006d V
4.1×102 Otto et al. 1997 V
1.1×103 Glotfelty et al. 1987 V
1.1×103 Burkhard and Guth 1981 V
5.7×102 15000 Lau et al. 1995 X 3)
1.2×103 Rice et al. 1997b C
6.2×103 Hilal et al. 2008 Q
12000 Kühne et al. 2005 Q
10000 Kühne et al. 2005 ?
1.1×103 Chesters et al. 1989 ? 9)

References

  • Burkhard, N. and Guth, J. A.: Rate of volatilisation of pesticides from soil surfaces; comparison of calculated results with those determined in a laboratory model system, Pestic. Sci., 12, 37-44, doi:10.1002/PS.2780120106, 1981.
  • Chesters, G., Simsiman, G. V., Levy, J., Alhajjar, B. J., Fathulla, R. N., and Harkin, J. M.: Environmental fate of alachlor and metolachlor, Rev. Environ. Contam. Toxicol., 110, 1-74, doi:10.1007/978-1-4684-7092-5_1, 1989.
  • Feigenbrugel, V., Le Calvé, S., and Mirabel, P.: Temperature dependence of Henry's law constants of metolachlor and diazinon, Chemosphere, 57, 319-327, doi:10.1016/J.CHEMOSPHERE.2004.05.013, 2004a.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • Glotfelty, D. E., Seiber, J. N., and Liljedahl, A.: Pesticides in fog, Nature, 325, 602-605, doi:10.1038/325602A0, 1987.
  • 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.
  • 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.
  • Lau, Y. L., Liu, D. L. S., Pacepavicius, G. J., and Maguire, R. J.: Volatilization of metolachlor from water, J. Environ. Sci. Health B, 30, 605-620, doi:10.1080/03601239509372956, 1995.
  • 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.
  • Muir, D. C. G., Teixeira, C., and Wania, F.: Empirical and modeling evidence of regional atmospheric transport of current-use pesticides, Environ. Toxicol. Chem., 23, 2421-2432, doi:10.1897/03-457, 2004.
  • Otto, S., Riello, L., Düring, R.-A., Hummel, H. E., and Zanin, G.: Herbicide dissipation and dynamics modelling in three different tillage systems, Chemosphere, 34, 163-178, doi:10.1016/S0045-6535(96)00356-6, 1997.
  • 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.

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

3) Value given here as quoted by Fogg and Sangster (2003).
9) Value at T = 293 K.
143) Literature-derived value.
144) Final adjusted value.

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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