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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) → Chlorocarbons (C, H, Cl) → α-1,2,3,4,5,6-hexachlorocyclohexane

FORMULA:C6H6Cl6
TRIVIAL NAME: α-lindane; α-HCH
CAS RN:319-84-6
STRUCTURE
(FROM NIST):
InChIKey:JLYXXMFPNIAWKQ-SHFUYGGZSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.5 Xiao et al. 2004 L 143)
1.4 Xiao et al. 2004 L 144)
3.0 5500 Cetin et al. 2006 M
1.7 7500 Sahsuvar et al. 2003 M
8.1×10−1 Altschuh et al. 1999 M
1.3 6500 Kucklick et al. 1991 M
4.2×10−1 Atlas et al. 1982 M 253)
1.1 Mackay et al. 2006d V
9.1×10−1 Ballschmiter and Wittlinger 1991 V
2.3 Calamari et al. 1991 V 9)
1.1 Suntio et al. 1988 V 9)
5.9×10−3 3900 Paasivirta et al. 1999 T
1.8 Suntio et al. 1988 C 254)
3.9×10−2 Zhang et al. 2010 Q 107) 108)
7.7 Zhang et al. 2010 Q 107) 109)
4.0×101 Zhang et al. 2010 Q 107) 110)
3.8×10−1 Zhang et al. 2010 Q 107) 111)
7100 Kühne et al. 2005 Q
7100 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.
  • 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.
  • 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.
  • Kucklick, J. R., Hinckley, D. A., and Bidleman, T. F.: Determination of Henry's law constants for hexachlorocyclohexanes in distilled water and artificial seawater as a function of temperature, Mar. Chem., 34, 197-209, doi:10.1016/0304-4203(91)90003-F, 1991.
  • 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.
  • 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.
  • Sahsuvar, L., Helm, P. A., Jantunen, L. M., and Bidleman, T. F.: Henry's law constants for α-, β-, and γ-hexachlorocyclohexanes (HCHs) as a function of temperature and revised estimates of gas exchange in Arctic regions, Atmos. Environ., 37, 983-992, doi:10.1016/S1352-2310(02)00936-6, 2003.
  • 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.
  • Xiao, H., Li, N., and Wania, F.: Compilation, evaluation, and selection of physical-chemical property data for α-, β-, and γ-hexachlorocyclohexane, J. Chem. Eng. Data, 49, 173-185, doi:10.1021/JE034214I, 2004.
  • 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.
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.
143) Literature-derived value.
144) Final adjusted value.
253) As explained by Miller and Stuart (2003), the measurements were performed at 296 K.
254) Value for T = 295... 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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