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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 Please do not cite the old paper anymore.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)Polychlorinated dibenzo-p-dioxins (PCDDs) → octachlorodibenzo-p-dioxin

FORMULA:C12Cl8O2
TRIVIAL NAME: PCDD-12346789
CAS RN:3268-87-9
STRUCTURE
(FROM NIST):
InChIKey:FOIBFBMSLDGNHL-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
1.5 Duchowicz et al. (2020) V 187)
1.5 HSDB (2015) V
1.5 Mackay et al. (2006b) V
7.6×10−1 Govers and Krop (1998) V
1.5 Shiu et al. (1988) V
1.1×10−5 2300 Paasivirta et al. (1999) T
3.8×10−1 Duchowicz et al. (2020) Q
9600 Kühne et al. (2005) Q
1.7 Saçan et al. (2005) Q
5.2 Wang and Wong (2002) Q 537)
1.9 Govers and Krop (1998) Q
9500 Kühne et al. (2005) ?

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).
  • Govers, H. A. J. & Krop, H. B.: Partition constants of chlorinated dibenzofurans and dibenzo-p-dioxins, Chemosphere, 37, 2139–2152, doi:10.1016/S0045-6535(98)00276-8 (1998).
  • 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).
  • 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).
  • Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. II of Halogenated Hydrocarbons, CRC/Taylor & Francis Group, doi:10.1201/9781420044393 (2006b).
  • Paasivirta, J., Sinkkonen, S., Mikkelson, P., Rantio, T., & Wania, F.: Estimation of vapor pressures, solubilities and Henry’s law constants of selected persistent organic pollutants as functions of temperature, Chemosphere, 39, 811–832, doi:10.1016/S0045-6535(99)00016-8 (1999).
  • Saçan, M. T., Özkul, M., & Erdem, S. S.: Physico-chemical properties of PCDD/PCDFs and phthalate esters, SAR QSAR Environ. Res., 16, 443–459, doi:10.1080/10659360500320602 (2005).
  • Shiu, W. Y., Doucette, W., Gobas, F. A. P. C., Andren, A., & Mackay, D.: Physical-chemical properties of chlorinated dibenzo-p-dioxins, Environ. Sci. Technol., 22, 651–658, doi:10.1021/ES00171A006 (1988).
  • Wang, Y. H. & Wong, P. K.: Mathematical relationships between vapor pressure, water solubility, Henry’s law constant, n-octanol/water partition coefficent and gas chromatographic retention index of polychlorinated-dibenzo-dioxins, Wat. Res., 36, 350–355, doi:10.1016/S0043-1354(01)00192-0 (2002).

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

187) Estimation based on the quotient between vapor pressure and water solubility, extracted from HENRYWIN.
537) Based on gas chromatograph retention indices (GC-RIs).

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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