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Henry's Law Constants

Rolf Sander

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Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

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Henry's Law Constants

Notes

References

Errata

Contact, Impressum, Acknowledgements

When referring to the compilation of Henry's Law Constants, please cite this publication:

R. Sander: Compilation of Henry's law constants (version 4.0) for water as solvent, Atmos. Chem. Phys., 15, 4399-4981 (2015), doi:10.5194/acp-15-4399-2015

Henry's Law Constants → Organic species with chlorine (Cl) → Polychlorinated dibenzo-p-dioxins (PCDDs) → 1,2,3,6,7,8-hexachlorodibenzo[b,e][1,4]dioxin

FORMULA:C12H2Cl6O2
TRIVIAL NAME: PCDD-123678
CAS RN:57653-85-7
STRUCTURE
(FROM NIST):
InChIKey:YCLUIPQDHHPDJJ-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
6.2×10−5 2800 Paasivirta et al. 1999 T
5.2 HSDB 2015 Q 38)
7.4×10−1 Saçan et al. 2005 Q
2.4 Wang and Wong 2002 Q 212)
6.9×10−1 Govers and Krop 1998 Q

References

  • Govers, H. A. J. and 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), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
  • Paasivirta, J., Sinkkonen, S., Mikkelson, P., Rantio, T., and 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., and Erdem, S. S.: Physico-chemical properties of PCDD/PCDFs and phthalate esters, SAR QSAR Environ. Res., 16, 443-459, doi:10.1080/10659360500320602, 2005.
  • Wang, Y. H. and 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 (2015) for further details.

Notes

38) Calculated based on the method by Meylan and Howard (1991).
212) Based on gas chromatograph retention indices (GC-RIs).

The numbers of the notes are the same as in Sander (2015). References cited in the notes can be found here.

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