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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 Please do not cite the old paper anymore.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 chlorine (Cl)Oxygenated chlorocarbons (C, H, O, Cl) → (2,4-dichlorophenoxy)-ethanoic acid

FORMULA:C8H6Cl2O3
TRIVIAL NAME: (2,4-dichlorophenoxy)-acetic acid; 2,4-D
CAS RN:94-75-7
STRUCTURE
(FROM NIST):
InChIKey:OVSKIKFHRZPJSS-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
1.4×10−1 Rice et al. (1997b) M 12) 734)
1.2 Rice et al. (1997b) M 12) 734)
2.8×102 Duchowicz et al. (2020) V 187)
5.0×104 Mackay et al. (2006c) V
2.3×104 Mackay et al. (2006d) V
4.0×103 Mackay et al. (2006d) V
2.9×102 Mackay et al. (1995) V
1.8 Riederer (1990) V
1.8 Suntio et al. (1988) V 12)
7.2×104 Howard (1991) X 414)
9.7×102 Howard (1991) X 414)
5.5×106 Armbrust (2000) C
8.7×102 Duchowicz et al. (2020) Q
2.5×105 Maniere et al. (2011) ? 12) 166)

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

  • Armbrust, K. L.: Pesticide hydroxyl radical rate constants: Measurements and estimates of their importance in aquatic environments, Environ. Toxicol. Chem., 19, 2175–2180, doi:10.1002/ETC.5620190905 (2000).
  • Duchowicz, P. R., Aranda, J. F., Bacelo, D. E., & Fioressi, S. E.: QSPR study of the Henry’s law constant for heterogeneous compounds, Chem. Eng. Res. Des., 154, 115–121, doi:10.1016/J.CHERD.2019.12.009 (2020).
  • Howard, P. H.: Handbook of Environmental fate and exposure data for organic chemicals. Vol. III: Pesticides, Lewis Publishers Inc. Chelsea, Michigan, doi:10.1201/9780203719305 (1991).
  • Mackay, D., Shiu, W. Y., & Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Oxygen, Nitrogen, and Sulfur Containing Compounds, Lewis Publishers, Boca Raton, ISBN 1566700353 (1995).
  • Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Oxygen Containing Compounds, CRC/Taylor & Francis Group, doi:10.1201/9781420044393 (2006c).
  • 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).
  • Maniere, I., Bouneb, F., Fastier, A., Courty, B., Dumenil, J., Poupard, M., & Mercier, T.: AGRITOX-Database on pesticide active substances, Toxicol. Lett., 205S, S231–S232, doi:10.1016/J.TOXLET.2011.05.792, URL https://www.data.gouv.fr/fr/datasets/base-de-donnees-agritox (2011).
  • Rice, C. P., Chernyak, S. M., & 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).
  • Riederer, M.: Estimating partitioning and transport of organic chemicals in the foliage/atmosphere system: discussion of a fugacity-based model, Environ. Sci. Technol., 24, 829–837, doi:10.1021/ES00076A006 (1990).
  • 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).

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.
166) Data taken from the AGRITOX database file agritox-20210608.zip.
187) Estimation based on the quotient between vapor pressure and water solubility, extracted from HENRYWIN.
414) Value given here as quoted by Mackay et al. (1995).
734) Measured at pH = 1.

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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