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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) → Oxygenated chlorocarbons (C, H, O, Cl) → 1,2,4-trichloro-3-methoxybenzene

FORMULA:C7H5Cl3O
TRIVIAL NAME: 2,3,6-trichloroanisole
CAS RN:50375-10-5
STRUCTURE
(FROM NIST):
InChIKey:OTFNCXLUCRUNCH-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.1×10−2 4500 Diaz et al. 2005 M
9.8×10−3 Pfeifer et al. 2001 M 273)
1.8×10−2 Hilal et al. 2008 Q
7.6×10−2 Meylan and Howard 1991 Q

References

  • Diaz, A., Ventura, F., and Galceran, M. T.: Determination of odorous mixed chloro-bromoanisoles in water by solid-phase micro-extraction and gas chromatography-mass detection, J. Chromatogr. A, 1064, 97-106, doi:10.1016/J.CHROMA.2004.12.027, 2005.
  • 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.
  • 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.
  • Pfeifer, O., Lohmann, U., and Ballschmiter, K.: Halogenated methyl-phenyl ethers (anisoles) in the environment: Determination of vapor pressures, aqueous solubilities, Henry's law constants, and gas/water- (Kgw), n-octanol/water- (Kow) and gas/n-octanol (Kgo) partition coefficients, Fresenius J. Anal. Chem., 371, 598-606, doi:10.1007/S002160101077, 2001.

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

273) When comparing H in table 4 with Kgw in table 5 of Pfeifer et al. (2001), it can be seen that the values refer to Kgw×100 and not Kgw/100.

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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