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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 Please do not cite the old paper anymore.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 ConstantsOrganic species with chlorine (Cl)Chlorocarbons with nitrogen (C, H, O, N, Cl) → [(3,5,6-trichloro-2-pyridinyl)oxy]-acetic acid

FORMULA:C7H4Cl3NO3
TRIVIAL NAME: triclopyr
CAS RN:55335-06-3
STRUCTURE
(FROM NIST):
InChIKey:REEQLXCGVXDJSQ-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
1.0×104 Duchowicz et al. (2020) V 187)
1.0×104 HSDB (2015) V
1.2×104 Armbrust (2000) C
3.2×103 Duchowicz et al. (2020) Q
1.1×104 Maniere et al. (2011) ? 12) 166)
2.1×105 Maniere et al. (2011) ? 12) 166) 572)
2.3×105 Maniere et al. (2011) ? 12) 166) 495)

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).
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), URL https://www.nlm.nih.gov/toxnet/Accessing_HSDB_Content_from_PubChem.html (2015).
  • 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).

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.
495) At pH = 7.
572) At pH = 5.

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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