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Henry's Law Constants

www.henrys-law.org

Rolf Sander

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) → 2,4-dichlorophenol

FORMULA:C6H4Cl2O
CAS RN:120-83-2
STRUCTURE
(FROM NIST):
InChIKey:HFZWRUODUSTPEG-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.4 Sheikheldin et al. 2001 M 9)
6.6 6800 Tabai et al. 1997 M 89)
2.8 HSDB 2015 V
2.3 Mackay et al. 2006c V
2.3 Mackay et al. 1995 V
2.3 Shiu et al. 1994 V
9.0 Leuenberger et al. 1985 V 167)
1.5 Goldstein 1982 X 181)
1.5 4900 Goldstein 1982 X 116)
1.8 Ryan et al. 1988 C
3.2×101 Zhang et al. 2010 Q 107) 108)
8.0 Zhang et al. 2010 Q 107) 109)
1.1 Zhang et al. 2010 Q 107) 110)
4.6 Zhang et al. 2010 Q 107) 111)
8.2 Hilal et al. 2008 Q
6300 Kühne et al. 2005 Q
7400 Kühne et al. 2005 ?

References

  • Goldstein, D. J.: Air and steam stripping of toxic pollutants, Appendix 3: Henry's law constants, Tech. Rep. EPA-68-03-002, Industrial Environmental Research Laboratory, Cincinnati, OH, USA, 1982.
  • 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.
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
  • 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.
  • Leuenberger, C., Ligocki, M. P., and Pankow, J. F.: Trace organic compounds in rain: 4. Identities, concentrations, and scavenging mechanisms for phenols in urban air and rain, Environ. Sci. Technol., 19, 1053-1058, doi:10.1021/ES00141A005, 1985.
  • Mackay, D., Shiu, W. Y., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Oxygen, Nitrogen, and Sulfur Containing Compounds , Lewis Publishers, Boca Raton, 1995.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Oxygen Containing Compounds , CRC/Taylor & Francis Group, 2006c.
  • Ryan, J. A., Bell, R. M., Davidson, J. M., and O'Connor, G. A.: Plant uptake of non-ionic organic chemicals from soils, Chemosphere, 17, 2299-2323, doi:10.1016/0045-6535(88)90142-7, 1988.
  • Sheikheldin, S. Y., Cardwell, T. J., Cattrall, R. W., Luque de Castro, M. D., and Kolev, S. D.: Determination of Henry's law constants of phenols by pervaporation-flow injection analysis, Environ. Sci. Technol., 35, 178-181, doi:10.1021/ES001406E, 2001.
  • Shiu, W.-Y., Ma, K.-C., Varhanícková, D., and Mackay, D.: Chlorophenols and alkylphenols: A review and correlation of environmentally relevant properties and fate in an evaluative environment, Chemosphere, 29, 1155-1224, doi:10.1016/0045-6535(94)90252-6, 1994.
  • Tabai, S., Rogalski, M., Solimando, R., and Malanowski, S. K.: Activity coefficients of chlorophenols in water at infinite dilution, J. Chem. Eng. Data, 42, 1147-1150, doi:10.1021/JE960336H, 1997.
  • 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

9) Value at T = 293 K.
89) Measured at high temperature and extrapolated to T⊖ = 298.15 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.
116) Value given here as quoted by Staudinger and Roberts (1996).
167) Value at T = 281 K.
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.

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