MPG

Henry's Law Constants

www.henrys-law.org

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany


Home

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 ConstantsOrganic species with chlorine (Cl)Chlorocarbons with nitrogen (C, H, O, N, Cl) → pentachloronitrobenzene

FORMULA:C6Cl5NO2
TRIVIAL NAME: quintozene
CAS RN:82-68-8
STRUCTURE
(FROM NIST):
InChIKey:LKPLKUMXSAEKID-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.7 Kawamoto and Urano 1989 M
2.2×10−1 HSDB 2015 V
2.3×10−1 Mackay et al. 2006d V
2.1×10−1 Howard and Meylan 1997 X 181)
2.1 Zhang et al. 2010 Q 107) 108)
2.3×10−2 Zhang et al. 2010 Q 107) 109)
2.2×10−2 Zhang et al. 2010 Q 107) 110)
2.2×10−1 Zhang et al. 2010 Q 107) 111)
6.9×10−2 Hilal et al. 2008 Q
2.1 Meylan and Howard 1991 Q

References

  • Hilal, S. H., Ayyampalayam, S. N., and Carreira, L. A.: Air-liquid partition coefficient for a diverse set of organic compounds: Henry's law constant in water and hexadecane, Environ. Sci. Technol., 42, 9231-9236, doi:10.1021/ES8005783, 2008.
  • Howard, P. H. and Meylan, W. M.: Handbook of physical properties of organic chemicals, CRC Press, Lewis Publisher, Boca Raton, FL, 1997.
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
  • Kawamoto, K. and Urano, K.: Parameters for predicting fate of organochlorine pesticides in the environment (I) Octanol-water and air-water partition coefficients, Chemosphere, 18, 1987-1996, doi:10.1016/0045-6535(89)90482-7, 1989.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and 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, 2006d.
  • Meylan, W. M. and Howard, P. H.: Bond contribution method for estimating Henry's law constants, Environ. Toxicol. Chem., 10, 1283-1293, doi:10.1002/ETC.5620101007, 1991.
  • Zhang, X., Brown, T. N., Wania, F., Heimstad, E. S., and Goss, K.-U.: Assessment of chemical screening outcomes based on different partitioning property estimation methods, Environ. Int., 36, 514-520, doi:10.1016/J.ENVINT.2010.03.010, 2010.

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

107) Data taken from the supplement.
108) Calculated using the EPI Suite (v4.0) method.
109) Calculated using the SPARC (v4.2) method.
110) Calculated using the COSMOtherm (v2.1) method.
111) Calculated using the ABSOLV (ADMEBoxes v4.1) method.
181) Value given here as quoted by Hilal et al. (2008).

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

* * *

Search Henry's Law Database

Species Search:

Identifier Search:

Reference Search:

* * *

Convert Henry's Law Constants

Convert:

* * *