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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 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 Please do not cite the old paper anymore.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 phosphorus (P) → Phosphorus (C, H, O, N, Cl, Br, S, P) → diazinon

FORMULA:C12H21N2O3PS
TRIVIAL NAME: dimpylate
CAS RN:333-41-5
STRUCTURE
(FROM NIST):
InChIKey:FHIVAFMUCKRCQO-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
4.6×101 Muir et al. (2004) L 369)
9.2×101 Muir et al. (2004) L 368)
1.5×101 12000 Feigenbrugel et al. (2004a) M
1.1×101 Watanabe (1993) M
8.4×101 Fendinger et al. (1989) M 73)
8.8×101 Fendinger and Glotfelty (1988) M 73)
2.5×101 Mackay et al. (2006d) V
1.5×101 Suntio et al. (1988) V 12)
6.7 Glotfelty et al. (1987) V
1.0×102 Sanders and Seiber (1983) V 88)
1.3×101 Burkhard and Guth (1981) V
1.5×10−1 Barcelo and Hennion (1997) X 569)
1.7×10−1 Goodarzi et al. (2010) Q 570)
1.4×102 Meylan and Howard (1991) 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

  • Barcelo, D. & Hennion, M. C.: Trace Determination of Pesticides and Their Degradation Products in Water, Elsevier Science, Amsterdam, ISBN 9780444818423 (1997).
  • Burkhard, N. & 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).
  • Feigenbrugel, V., Le Calvé, S., & 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).
  • Fendinger, N. J. & Glotfelty, D. E.: A laboratory method for the experimental determination of air–water Henry’s law constants for several pesticides, Environ. Sci. Technol., 22, 1289–1293, doi:10.1021/ES00176A007 (1988).
  • Fendinger, N. J., Glotfelty, D. E., & 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).
  • Glotfelty, D. E., Seiber, J. N., & Liljedahl, A.: Pesticides in fog, Nature, 325, 602–605, doi:10.1038/325602A0 (1987).
  • Goodarzi, M., Ortiz, E. V., Coelho, L. D. S., & Duchowicz, P. R.: Linear and non-linear relationships mapping the Henry’s law parameters of organic pesticides, Atmos. Environ., 44, 3179–3186, doi:10.1016/J.ATMOSENV.2010.05.025 (2010).
  • Mackay, D., Shiu, W. Y., Ma, K. C., & 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, doi:10.1201/9781420044393 (2006d).
  • Meylan, W. M. & Howard, P. H.: Bond contribution method for estimating Henry’s law constants, Environ. Toxicol. Chem., 10, 1283–1293, doi:10.1002/ETC.5620101007 (1991).
  • Muir, D. C. G., Teixeira, C., & 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).
  • Sanders, P. F. & 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., & 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 (2023) for further details.

Notes

12) Value at T = 293 K.
73) Value at T = 296 K.
88) Value at T = 295 K.
368) Literature-derived value.
369) Final adjusted value.
569) Value given here as quoted by Goodarzi et al. (2010).
570) Goodarzi et al. (2010) compared several QSPR methods and found that the Levenberg-Marquardt algorithm with Bayesian regularization produces the best results. Values obtained with other methods can be found in their supplement.

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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