MPG

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) → γ-1,2,3,4,5,6-hexachlorocyclohexane

FORMULA:C6H6Cl6
TRIVIAL NAME: γ-lindane; lindane; γ-HCH
CAS RN:58-89-9
STRUCTURE
(FROM NIST):
InChIKey:JLYXXMFPNIAWKQ-GNIYUCBRSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.7 Xiao et al. 2004 L 143)
3.3 Xiao et al. 2004 L 144)
3.1 Mackay and Shiu 1981 L
3.9 3300 Cetin et al. 2006 M
6.0 6200 Xie et al. 2004 M
4.3 7500 Sahsuvar et al. 2003 M
1.9 Altschuh et al. 1999 M
2.8 5500 Kucklick et al. 1991 M
4.9 Fendinger et al. 1989 M 126)
5.0 Fendinger and Glotfelty 1988 M 126)
6.7 Mackay et al. 2006d V
3.3 Siebers et al. 1994 V
1.0×101 Ballschmiter and Wittlinger 1991 V
5.9 Calamari et al. 1991 V 9)
3.7 McLachlan et al. 1990 V 147)
7.7 Suntio et al. 1988 V 9)
6.7×10−1 Caron et al. 1985 V
7.9 Burkhard and Guth 1981 V
3.1 Chiou et al. 1980 V
2.0×101 Mackay and Leinonen 1975 V
6.2×10−2 7100 Paasivirta et al. 1999 T
3.1×101 McCarty 1980 X 145)
2.0×101 Suntio et al. 1988 C 9)
5.0 Suntio et al. 1988 C 255)
1.4 Suntio et al. 1988 C
3.9×10−2 Zhang et al. 2010 Q 107) 108)
7.7 Zhang et al. 2010 Q 107) 109)
4.7×101 Zhang et al. 2010 Q 107) 110)
3.8×10−1 Zhang et al. 2010 Q 107) 111)
5.3 Hilal et al. 2008 Q
7100 Kühne et al. 2005 Q
6200 Kühne et al. 2005 ?
2.2×101 Brimblecombe 1986 ? 28)

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.
  • 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.
  • Brimblecombe, P.: Air Composition & Chemistry, Cambridge University Press, Cambridge, 1986.
  • Burkhard, N. and Guth, J. A.: Rate of volatilisation of pesticides from soil surfaces; comparison of calculated results with those determined in a laboratory model system, Pestic. Sci., 12, 37-44, doi:10.1002/PS.2780120106, 1981.
  • 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.
  • Caron, G., Suffet, I. H., and Belton, T.: Effect of dissolved organic carbon on the environmental distribution of nonpolar organic compounds, Chemosphere, 14, 993-1000, doi:10.1016/0045-6535(85)90020-7, 1985.
  • 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.
  • Chiou, C. T., Freed, V. H., Peters, L. J., and Kohnert, R. L.: Evaporation of solutes from water, Environ. Int., 3, 231-236, doi:10.1016/0160-4120(80)90123-3, 1980.
  • Fendinger, N. J. and Glotfelty, D. E.: A laboratory method for the experimental determination of air-water Henry's law constants for several pesticides, Environ. Sci. Technol., 22, 1289-1293, doi:10.1021/ES00176A007, 1988.
  • Fendinger, N. J., Glotfelty, D. E., and Freeman, H. P.: Comparison of two experimental techniques for determining air/water Henry's law constants, Environ. Sci. Technol., 23, 1528-1531, doi:10.1021/ES00070A013, 1989.
  • 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.
  • 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. and Leinonen, P. J.: Rate of evaporation of low-solubility contaminants from water bodies to atmosphere, Environ. Sci. Technol., 9, 1178-1180, doi:10.1021/ES60111A012, 1975.
  • Mackay, D. and Shiu, W. Y.: A critical review of Henry's law constants for chemicals of environmental interest, J. Phys. Chem. Ref. Data, 10, 1175-1199, doi:10.1063/1.555654, 1981.
  • 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.
  • McCarty, P. L.: Organics in water — an engineering challenge, J. Environ. Eng. Div., 106, 1-17, 1980.
  • 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.
  • 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.
  • Siebers, J., Gottschild, D., and Nolting, H.-G.: Pesticides in precipitation in northern Germany, Chemosphere, 28, 1559-1570, doi:10.1016/0045-6535(94)90249-6, 1994.
  • 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.
  • Xie, Z., Le Calvé, S., Feigenbrugel, V., Preuß, T. G., Vinken, R., Ebinghaus, R., and Ruck, W.: Henry's law constants measurements of the nonylphenol isomer 4(3',5'-dimethyl-3'-heptyl)-phenol, tertiary octylphenol and γ-hexachlorocyclohexane between 278 and 298 K, Atmos. Environ., 38, 4859-4868, doi:10.1016/J.ATMOSENV.2004.05.013, 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.
28) Value at T = 288 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.
126) Value at T = 296 K.
143) Literature-derived value.
144) Final adjusted value.
145) Value given here as quoted by Petrasek et al. (1983).
147) Value at T = 283 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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