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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

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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 ConstantsHydrocarbons (C, H)Polynuclear aromatics → naphthalene

FORMULA:C10H8
CAS RN:91-20-3
STRUCTURE
(FROM NIST):
InChIKey:UFWIBTONFRDIAS-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.1×10−2 Ma et al. 2010 L 143)
2.2×10−2 Ma et al. 2010 L 144)
2.2×10−2 5300 Fogg and Sangster 2003 L
2.3×10−2 Mackay and Shiu 1981 L
3.3×10−2 6100 Hiatt 2013 M
6.0×10−2 Lee et al. 2012 M
4.0×10−2 Bobadilla et al. 2003 M
2.4×10−2 Destaillats and Charles 2002 M
1.3×10−2 3600 Dewulf et al. 1999 M
1.8×10−2 Altschuh et al. 1999 M
2.2×10−2 De Maagd et al. 1998 M 9)
2.2×10−2 Shiu and Mackay 1997 M
1.7×10−2 5100 Kondoh and Nakajima 1997 M
2.3×10−2 5700 Alaee et al. 1996 M
2.1×10−2 Zhang and Pawliszyn 1993 M
1.3×10−2 Fendinger and Glotfelty 1990 M
2.7×10−2 Yurteri et al. 1987 M 9)
2.6×10−2 Webster et al. 1985 M
2.0×10−2 Mackay et al. 1979 M
1.8×10−2 Southworth 1979 M
2.2×10−2 5400 Schwarz and Wasik 1977 M
2.3×10−2 Mackay et al. 2006a V
2.3×10−2 Shiu and Ma 2000 V
3.2×10−2 De Maagd et al. 1998 V 9)
2.3×10−2 Shiu and Mackay 1997 V
2.0×10−2 Lide and Frederikse 1995 V
2.3×10−2 Abraham et al. 1994a V
9.0×10−3 Hwang et al. 1992 V
7.2×10−3 Eastcott et al. 1988 V
2.3×10−2 Cabani et al. 1981 V
2.4×10−2 Hine and Mookerjee 1975 V
8.4×10−3 Mackay and Leinonen 1975 V
1.9×10−2 Bohon and Claussen 1951 V
1.1×10−2 2100 Paasivirta et al. 1999 T
2.1×10−2 Mackay et al. 1979 T
2.1×10−2 3600 Goldstein 1982 X 116)
2.7×10−2 McCarty 1980 X 145)
2.0×10−2 Smith et al. 1993 C
2.0×10−2 Ryan et al. 1988 C
2.1×10−2 Hilal et al. 2008 Q
5200 Kühne et al. 2005 Q
3.2×10−2 Nirmalakhandan and Speece 1988a Q
3.4×10−2 Arbuckle 1983 Q
3.6×10−2 MacBean 2012a ?
5400 Kühne et al. 2005 ?
8.0×10−3 Yaws and Yang 1992 ? 92)
2.3×10−2 Abraham et al. 1990 ?

References

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  • Bobadilla, R., Huybrechts, T., Dewulf, J., and van Langenhove, H.: Determination of the Henry's constant of volatile and semi-volatile organic componuds of environmental concern by the bas (batch air stripping) technique: a new mathematical approach, J. Chilean Chem. Soc., 48, doi:10.4067/S0717-97072003000300001, 2003.
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  • Destaillats, H. and Charles, M. J.: Henry's law constants of carbonyl-pentafluorobenzyl hydroxylamine (PFBHA) derivatives in aqueous solution, J. Chem. Eng. Data, 47, 1481-1487, doi:10.1021/JE025545I, 2002.
  • Dewulf, J., van Langenhove, H., and Everaert, P.: Determination of Henry's law coefficients by combination of the equilibrium partitioning in closed systems and solid-phase microextraction techniques, J. Chromatogr. A, 830, 353-363, doi:10.1016/S0021-9673(98)00877-2, 1999.
  • Eastcott, L., Shiu, W. Y., and Mackay, D.: Environmentally relevant physical-chemical properties of hydrocarbons: A review of data and development of simple correlations, Oil Chem. Pollut., 4, 191-216, doi:10.1016/S0269-8579(88)80020-0, 1988.
  • Fendinger, N. J. and Glotfelty, D. E.: Henry's law constants for selected pesticides, PAHs and PCBs, Environ. Toxicol. Chem., 9, 731-735, doi:10.1002/ETC.5620090606, 1990.
  • 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.
  • 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.
  • 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.
  • Lee, H., Kim, H.-J., and Kwon, J.-H.: Determination of Henry's law constant using diffusion in air and water boundary layers, J. Chem. Eng. Data, 57, 3296-3302, doi:10.1021/JE300954S, 2012.
  • Lide, D. R. and Frederikse, H. P. R., eds.: CRC Handbook of Chemistry and Physics, 76th Edition, CRC Press, Inc., Boca Raton, FL, 1995.
  • MacBean, C.: The Pesticide Manual, 16th Edition, Supplementary Entries - Extended, Tech. rep., British Crop Production Council, http://www.bcpcdata.com/_assets/files/PM16-supplementary-BCPC.pdf, 2012a.
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  • Mackay, D., Shiu, W. Y., and Sutherland, R. P.: Determination of air-water Henry's law constants for hydrophobic pollutants, Environ. Sci. Technol., 13, 333-337, doi:10.1021/ES60151A012, 1979.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. I of Introduction and Hydrocarbons , CRC/Taylor & Francis Group, 2006a.
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  • 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.
  • 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.
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  • Shiu, W. Y. and Ma, K.-C.: Temperature dependence of physical-chemical properties of selected chemicals of environmental interest. I. mononuclear and polynuclear aromatic hydrocarbons, J. Phys. Chem. Ref. Data, 29, 41-130, doi:10.1063/1.556055, 2000.
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  • 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.
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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.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
116) Value given here as quoted by Staudinger and Roberts (1996).
143) Literature-derived value.
144) Final adjusted value.
145) Value given here as quoted by Petrasek et al. (1983).

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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