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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

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References

Errata

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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 ConstantsOrganic species with chlorine (Cl)Chlorocarbons (C, H, Cl) → 1,2-dichlorobenzene

FORMULA:C6H4Cl2
TRIVIAL NAME: o-dichlorobenzene
CAS RN:95-50-1
STRUCTURE
(FROM NIST):
InChIKey:RFFLAFLAYFXFSW-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
6.8×10−3 5300 Fogg and Sangster 2003 L 258)
5.4×10−3 5900 Staudinger and Roberts 2001 L
5.4×10−3 5900 Staudinger and Roberts 1996 L
5.3×10−3 Mackay and Shiu 1981 L
8.0×10−3 4200 Hiatt 2013 M
6.3×10−3 Li et al. 2008 M
4.7×10−3 Ryu and Park 1999 M
5.1×10−3 Shiu and Mackay 1997 M
7.2×10−3 Hovorka and Dohnal 1997 M 9)
6.2×10−3 5000 Kondoh and Nakajima 1997 M
4.9×10−3 4400 Park et al. 1997 M
4.8×10−3 Li and Carr 1993 M
4.9×10−3 5100 Bissonette et al. 1990 M
5.3×10−3 1400 Ashworth et al. 1988 M 103)
8.2×10−3 Oliver 1985 M
5.9×10−3 6700 Gossett et al. 1985 M
5.2×10−3 Mackay and Shiu 1981 M
5.1×10−3 Warner et al. 1980 M
3.5×10−3 Sato and Nakajima 1979b M 19)
5.6×10−3 Mackay et al. 2006b V
4.1×10−3 Shiu and Mackay 1997 V
8.6×10−3 Park et al. 1997 V
8.3×10−3 Lide and Frederikse 1995 V
4.1×10−3 Mackay et al. 1992a V
6.0×10−3 Hwang et al. 1992 V
4.1×10−3 Bobra et al. 1985 V
4.9×10−3 Warner et al. 1980 V
4.0×10−3 Hine and Mookerjee 1975 V
5.2×10−3 2800 Goldstein 1982 X 116)
5.2×10−3 Schüürmann 2000 C 7)
2.7×10−3 Ryan et al. 1988 C
5.1×10−3 Shen 1982 C
8.2×10−3 Hilal et al. 2008 Q
4400 Kühne et al. 2005 Q
7.1×10−3 Delgado and Alderete 2002 Q
2.3×10−3 Myrdal and Yalkowsky 1994 Q
8.4×10−3 Nirmalakhandan and Speece 1988a Q
4800 Kühne et al. 2005 ?
3.3×10−3 Yaws and Yang 1992 ? 92)
5.1×10−3 Abraham et al. 1990 ?
6.2×10−3 Chiou et al. 1980 ? 27)

References

  • Abraham, M. H., Whiting, G. S., Fuchs, R., and Chambers, E. J.: Thermodynamics of solute transfer from water to hexadecane, J. Chem. Soc. Perkin Trans. 2, pp. 291-300, doi:10.1039/P29900000291, 1990.
  • Ashworth, R. A., Howe, G. B., Mullins, M. E., and Rogers, T. N.: Air-water partitioning coefficients of organics in dilute aqueous solutions, J. Hazard. Mater., 18, 25-36, doi:10.1016/0304-3894(88)85057-X, 1988.
  • Bissonette, E. M., Westrick, J. J., and Morand, J. M.: Determination of Henry's coefficient for volatile organic compounds in dilute aqueous systems, in: Proceedings of the Annual Conference of the American Water Works Association, Cincinnati, OH, June 17-21, pp. 1913-1922, 1990.
  • Bobra, A., Shiu, W. Y., and Mackay, D.: Quantitative structure-activity relationships for the acute toxicity of chlorobenzenes to daphnia magna, Environ. Toxicol. Chem., 4, 297-305, doi:10.1002/ETC.5620040305, 1985.
  • 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.
  • Delgado, E. J. and Alderete, J.: On the calculation of Henry's law constants of chlorinated benzenes in water from semiempirical quantum chemical methods, J. Chem. Inf. Comput. Sci., 42, 559-563, doi:10.1021/CI0101206, 2002.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • 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.
  • Gossett, J. M., Cameron, C. E., Eckstrom, B. P., Goodman, C., and Lincoff, A. H.: Mass transfer coefficients and Henry's constants for packed-tower air stripping of volatile organics: Measurements and Correlations, Final Report ESL-TR-85-18, Engineering and Services Laboratory, Tyndall Air Force Base, FL, 1985.
  • Hiatt, M. H.: Determination of Henry's law constants using internal standards with benchmark values, J. Chem. Eng. Data, 58, 902-908, doi:10.1021/JE3010535, 2013.
  • 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.
  • Hine, J. and Mookerjee, P. K.: The intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions, J. Org. Chem., 40, 292-298, doi:10.1021/JO00891A006, 1975.
  • Hovorka, S. and Dohnal, V.: Determination of air-water partitioning of volatile halogenated hydrocarbons by the inert gas stripping method, J. Chem. Eng. Data, 42, 924-933, doi:10.1021/JE970046G, 1997.
  • Hwang, Y.-L., Olson, J. D., and Keller, II, G. E.: Steam stripping for removal of organic pollutants from water. 2. Vapor-liquid equilibrium data, Ind. Eng. Chem. Res., 31, 1759-1768, doi:10.1021/IE00007A022, 1992.
  • 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.
  • Kondoh, H. and Nakajima, T.: Optimization of headspace cryofocus gas chromatography/mass spectrometry for the analysis of 54 volatile organic compounds, and the measurement of their Henry's constants, J. Environ. Chem., 7, 81-89, doi:10.5985/JEC.7.81, 1997.
  • Li, J. and Carr, P. W.: Measurement of water-hexadecane partition coefficients by headspace gas chromatography and calculation of limiting activity coefficients in water, Anal. Chem., 65, 1443-1450, doi:10.1021/AC00058A023, 1993.
  • Lide, D. R. and Frederikse, H. P. R., eds.: CRC Handbook of Chemistry and Physics, 76th Edition, CRC Press, Inc., Boca Raton, FL, 1995.
  • Li, J.-Q., Shen, C.-Y., Xu, G.-H., Wang, H.-M., Jiang, H.-H., Han, H.-Y., Chu, Y.-N., and Zheng, P.-C.: Dynamic measurements of Henry's law constant of aromatic compounds using proton transfer reaction mass spectrometry, Acta Phys. Chim. Sin., 24, 705-708, 2008.
  • 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., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. I of Monoaromatic Hydrocarbons, Chlorobenzenes, and PCBs , Lewis Publishers, Boca Raton, 1992a.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. II of Halogenated Hydrocarbons , CRC/Taylor & Francis Group, 2006b.
  • Myrdal, P. and Yalkowsky, S. H.: A simple scheme for calculating aqueous solubility, vapor pressure and Henry's law constant: application to the chlorobenzenes, SAR QSAR Environ. Res., 2, 17-28, doi:10.1080/10629369408028837, 1994.
  • Nirmalakhandan, N. N. and Speece, R. E.: QSAR model for predicting Henry's constant, Environ. Sci. Technol., 22, 1349-1357, doi:10.1021/ES00176A016, 1988a.
  • Oliver, B. G.: Desorption of chlorinated hydrocarbons from spiked and anthropogenically contaminated sediments, Chemosphere, 14, 1087-1106, doi:10.1016/0045-6535(85)90029-3, 1985.
  • Park, S.-J., Han, S.-D., and Ryu, S.-A.: Measurement of air/water partition coefficient (Henry's law constant) by using EPICS method and their relationship with vapor pressure and water solubility, J. Korean Inst. Chem. Eng., 35, 915-920, 1997.
  • 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.
  • Ryu, S.-A. and Park, S.-J.: A rapid determination method of the air/water partition coefficient and its application, Fluid Phase Equilib., 161, 295-304, doi:10.1016/S0378-3812(99)00193-4, 1999.
  • Sato, A. and Nakajima, T.: A structure-activity relationship of some chlorinated hydrocarbons, Arch. Environ. Health, 34, 69-75, doi:10.1080/00039896.1979.10667371, 1979b.
  • Schüürmann, G.: Prediction of Henry's law constant of benzene derivatives using quantum chemical continuum-solvation models, J. Comput. Chem., 21, 17-34, doi:10.1002/(SICI)1096-987X(20000115)21:1<17::AID-JCC3>3.0.CO;2-5, 2000.
  • Shen, T. T.: Estimation of organic compound emissions from waste lagoons, J. Air Pollut. Control Assoc., 32, 79-82, doi:10.1080/00022470.1982.10465374, 1982.
  • Shiu, W.-Y. and Mackay, D.: Henry's law constants of selected aromatic hydrocarbons, alcohols, and ketones, J. Chem. Eng. Data, 42, 27-30, doi:10.1021/JE960218U, 1997.
  • Staudinger, J. and Roberts, P. V.: A critical review of Henry's law constants for environmental applications, Crit. Rev. Environ. Sci. Technol., 26, 205-297, doi:10.1080/10643389609388492, 1996.
  • Staudinger, J. and Roberts, P. V.: A critical compilation of Henry's law constant temperature dependence relations for organic compounds in dilute aqueous solutions, Chemosphere, 44, 561-576, doi:10.1016/S0045-6535(00)00505-1, 2001.
  • Warner, H. P., Cohen, J. M., and Ireland, J. C.: Determination of Henry's law constants of selected priority pollutants, Tech. rep., U.S. EPA, Municipal Environmental Research Laboratory, Wastewater Research Division, Cincinnati, Ohio, 45268, USA, 1980.
  • Yaws, C. L. and Yang, H.-C.: Henry's law constant for compound in water, in: Thermodynamic and Physical Property Data, edited by Yaws, C. L., pp. 181-206, Gulf Publishing Company, Houston, TX, 1992.

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

7) Several references are given in the list of Henry's law constants but not assigned to specific species.
9) Value at T = 293 K.
19) Value at T = 310 K.
27) Value at T = 297 K.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
103) The value is most probably taken from the report by Howe et al. (1987).
116) Value given here as quoted by Staudinger and Roberts (1996).
258) Erratum for page 344 of Fogg and Sangster (2003): The reference [89] seems to be incorrect, it does not contain 1,2-dichlorobenzene.

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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