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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 Please do not cite the old paper anymore.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 Constants → Organic species with bromine (Br) → Bromocarbons (C, H, O, N, Br) → 3-bromo-1-propyne

FORMULA:C3H3Br
TRIVIAL NAME: propargyl bromide
CAS RN:106-96-7
STRUCTURE
(FROM NIST):
InChIKey:YORCIIVHUBAYBQ-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
8.8×10−3 4000 Yates and Gan (1998) M 1)
1.6×10−2 Keshavarz et al. (2022) Q
8.4×10−3 Duchowicz et al. (2020) Q
3200 Kühne et al. (2005) Q
8.7×10−3 Duchowicz et al. (2020) ? 21) 186)
4200 Kühne et al. (2005) ?
Fogg and Sangster (2003) W 790)

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

  • 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).
  • Fogg, P. & Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., ISBN 978-0-471-98651-5 (2003).
  • Keshavarz, M. H., Rezaei, M., & Hosseini, S. H.: A simple approach for prediction of Henry’s law constant of pesticides, solvents, aromatic hydrocarbons, and persistent pollutants without using complex computer codes and descriptors, Process Saf. Environ. Prot., 162, 867–877, doi:10.1016/J.PSEP.2022.04.045 (2022).
  • Kühne, R., Ebert, R.-U., & 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).
  • Yates, S. R. & Gan, J. Y.: Volatility, adsorption, and degradation of propargyl bromide as a soil fumigant, J. Agric. Food Chem., 46, 755–761, doi:10.1021/JF9707849 (1998).

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

1) A detailed temperature dependence with more than one parameter is available in the original publication. Here, only the temperature dependence at 298.15 K according to the van 't Hoff equation is presented.
21) Several references are given in the list of Henry's law constants but not assigned to specific species.
186) Experimental value, extracted from HENRYWIN.
790) Erratum for page 321 of Fogg and Sangster (2003): data from Yates and Gan (1998) are cited with a typo. The value at 313.2 K should probably be 4.78×10−6, not 4.78×10−2.

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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