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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) → Chlorocarbons with nitrogen (C, H, O, N, Cl) → 2-chloronitrobenzene

FORMULA:C6H4ClNO2
TRIVIAL NAME: o-chloronitrobenzene
CAS RN:88-73-3
STRUCTURE
(FROM NIST):
InChIKey:BFCFYVKQTRLZHA-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.1 Altschuh et al. 1999 M
2.2×10−1 Hellmann 1987 M 31)
2.8×10−1 Lide and Frederikse 1995 V
6.2×10−1 Zhang et al. 2010 Q 107) 108)
1.5×10−1 Zhang et al. 2010 Q 107) 109)
1.2 Zhang et al. 2010 Q 107) 110)
4.6×10−1 Zhang et al. 2010 Q 107) 111)
3.1×10−1 Hilal et al. 2008 Q
4700 Kühne et al. 2005 Q
6000 Kühne et al. 2005 ?

References

  • Altschuh, J., Brüggemann, R., Santl, H., Eichinger, G., and Piringer, O. G.: Henry's law constants for a diverse set of organic chemicals: Experimental determination and comparison of estimation methods, Chemosphere, 39, 1871-1887, doi:10.1016/S0045-6535(99)00082-X, 1999.
  • Hellmann, H.: Model tests on volatilization of organic trace substances in surfaces waters, Fresenius J. Anal. Chem., 328, 475-479, doi:10.1007/BF00475967, 1987.
  • 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.
  • Kühne, R., Ebert, R.-U., and 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.
  • Lide, D. R. and Frederikse, H. P. R., eds.: CRC Handbook of Chemistry and Physics, 76th Edition, CRC Press, Inc., Boca Raton, FL, 1995.
  • 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

31) Value at T = 295 K.
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.

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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