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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 (C, H, Cl) → 1,1-dichloro-2,2-bis-(4-chlorophenyl)-ethene

FORMULA:C14H8Cl4
TRIVIAL NAME: p,p'-DDE
CAS RN:72-55-9
STRUCTURE
(FROM NIST):
InChIKey:UCNVFOCBFJOQAL-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.4×10−1 Shen and Wania 2005 L 143)
2.4×10−1 Shen and Wania 2005 L 144)
2.9×10−2 4700 Jantunen and Bidleman 2006 M
1.6×10−1 7700 Cetin et al. 2006 M
2.4×10−1 Altschuh et al. 1999 M
8.1×10−3 Atlas et al. 1982 M 253)
Mackay et al. 2006d V 221)
2.9×10−2 Ballschmiter and Wittlinger 1991 V
1.6×10−1 Calamari et al. 1991 V 9)
7.6×10−1 McLachlan et al. 1990 V 147)
1.3×10−1 Suntio et al. 1988 V 9)
5.1×10−2 Yoshida et al. 1983 V
2.6×10−2 7600 Paasivirta et al. 1999 T
4.5×10−1 Suntio et al. 1988 C 255)
4.5×10−1 Ryan et al. 1988 C
1.8×10−1 Hilal et al. 2008 Q

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.
  • Atlas, E., Foster, R., and Giam, C. S.: Air-sea exchange of high-molecular weight organic pollutants: laboratory studies, Environ. Sci. Technol., 16, 283-286, doi:10.1021/ES00099A010, 1982.
  • Ballschmiter, K. and Wittlinger, R.: Interhemisphere exchange of hexachlorocyclohexanes, hexachlorobenzene, polychlorobiphenyls, and 1,1,1-trichloro-2,2-bis(p-chlorophenyl)ethane in the lower troposphere, Environ. Sci. Technol., 25, 1103-1111, doi:10.1021/ES00018A014, 1991.
  • Calamari, D., Bacci, E., Focardi, S., Gaggi, C., Morosini, M., and Vighi, M.: Role of plant biomass in the global environmental partitioning of chlorinated hydrocarbons, Environ. Sci. Technol., 25, 1489-1495, doi:10.1021/ES00020A020, 1991.
  • Cetin, B., Ozer, S., Sofuoglu, A., and Odabasi, M.: Determination of Henry's law constants of organochlorine pesticides in deionized and saline water as a function of temperature, Atmos. Environ., 40, 4538-4546, doi:10.1016/J.ATMOSENV.2006.04.009, 2006.
  • 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.
  • Jantunen, L. M. and Bidleman, T. F.: Henry's law constants for hexachlorobenzene, p,p'-DDE and components of technical chlordane and estimates of gas exchange for Lake Ontario, Chemosphere, 62, 1689-1696, doi:10.1016/J.CHEMOSPHERE.2005.06.035, 2006.
  • 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.
  • McLachlan, M., Mackay, D., and Jones, P. H.: A conceptual model of organic chemical volatilization at waterfalls, Environ. Sci. Technol., 24, 252-257, doi:10.1021/ES00072A015, 1990.
  • 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.
  • 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.
  • Shen, L. and Wania, F.: Compilation, evaluation, and selection of physical-chemical property data for organochlorine pesticides, J. Chem. Eng. Data, 50, 742-768, doi:10.1021/JE049693F, 2005.
  • Suntio, L. R., Shiu, W. Y., Mackay, D., Seiber, J. N., and Glotfelty, D.: Critical review of Henry's law constants for pesticides, Rev. Environ. Contam. Toxicol., 103, 1-59, doi:10.1007/978-1-4612-3850-8_1, 1988.
  • Yoshida, K., Shigeoka, T., and Yamauchi, F.: Non-steady state equilibrium model for the preliminary prediction of the fate of chemicals in the environment, Ecotoxicol. Environ. Saf., 7, 179-190, doi:10.1016/0147-6513(83)90064-7, 1983.

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.
143) Literature-derived value.
144) Final adjusted value.
147) Value at T = 283 K.
221) Mackay et al. (2006d) list a vapor pressure p, a solubility c, and a Henry's law constant calculated as p/c. However, the data are internally inconsistent and deviate by more than 10 %.
253) As explained by Miller and Stuart (2003), the measurements were performed at 296 K.
255) Value for T = 293... 298 K.

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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