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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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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 → 2,3-benzindene

FORMULA:C13H10
TRIVIAL NAME: fluorene
CAS RN:86-73-7
STRUCTURE
(FROM NIST):
InChIKey:NIHNNTQXNPWCJQ-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.1×10−1 Ma et al. (2010) L 143)
1.1×10−1 Ma et al. (2010) L 144)
1.1×10−1 6000 Fogg and Sangster (2003) L
1.2×10−1 Mackay and Shiu (1981) L
3.2×10−1 Lee et al. (2012) M
1.0×10−1 6200 Bamford et al. (1999a) M
7.9×10−2 7400 Bamford et al. (1999b) M
1.5×10−1 De Maagd et al. (1998) M 9)
1.0×10−1 Shiu and Mackay (1997) M
1.6×10−1 Fendinger and Glotfelty (1990) M
9.9×10−2 Mackay and Shiu (1981) M
8.4×10−2 Warner et al. (1980) M
1.3×10−1 Mackay et al. (2006a) V
1.3×10−1 Shiu and Ma (2000) V
1.7×10−1 De Maagd et al. (1998) V 9)
1.3×10−1 Shiu and Mackay (1997) V
1.5×10−2 Hwang et al. (1992) V
1.1×10−1 Eastcott et al. (1988) V
1.3×10−1 Cabani et al. (1981) V
2.3×10−2 3700 Paasivirta et al. (1999) T
8.4×10−2 3000 Goldstein (1982) X 116)
4.7×10−2 McCarty (1980) X 145)
9.9×10−2 HSDB (2015) C
8.4×10−2 Smith et al. (1993) C
8.4×10−2 Ryan et al. (1988) C
8.4×10−2 Shen (1982) C
9.2×10−2 Hilal et al. (2008) Q
5100 Kühne et al. (2005) Q
2.0×10−1 Nirmalakhandan and Speece (1988a) Q
5400 Kühne et al. (2005) ?
1.2×10−1 Abraham et al. (1990) ?

References

  • Abraham, M. H., Whiting, G. S., Fuchs, R., & 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).
  • Bamford, H. A., Poster, D. L., & Baker, J. E.: Temperature dependence of Henry’s law constants of thirteen polycyclic aromatic hydrocarbons between 4 C and 31 C, Environ. Toxicol. Chem., 18, 1905–1912, doi:10.1002/etc.5620180906 (1999a).
  • Bamford, H. A., Poster, D. L., & Baker, J. E.: Method for measuring the temperature dependence of the Henry’s law constant of selected polycyclic aromatic hydrocarbons, Polycyclic Aromat. Compd., 14, 11–22, doi:10.1080/10406639908019107 (1999b).
  • Cabani, S., Gianni, P., Mollica, V., & Lepori, L.: Group contributions to the thermodynamic properties of non-ionic organic solutes in dilute aqueous solution, J. Solution Chem., 10, 563–595, doi:10.1007/BF00646936 (1981).
  • De Maagd, P. G.-J., Ten Hulscher, D. T. E. M., van den Heuvel, H., Opperhuizen, A., & Sijm, D. T. H. M.: Physicochemical properties of polycyclic aromatic hydrocarbons: Aqueous solubilities, n-octanol/water partition coefficients, and Henry’s law constants, Environ. Toxicol. Chem., 17, 251–257, doi:10.1002/etc.5620170216 (1998).
  • Eastcott, L., Shiu, W. Y., & 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. & 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. & 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).
  • Hilal, S. H., Ayyampalayam, S. N., & 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).
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), URL http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm (2015).
  • Hwang, Y.-L., Olson, J. D., & 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., & 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).
  • Lee, H., Kim, H.-J., & 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).
  • Mackay, D. & 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., & 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).
  • Ma, Y.-G., Lei, Y. D., Xiao, H., Wania, F., & Wang, W.-H.: Critical review and recommended values for the physical-chemical property data of 15 polycyclic aromatic hydrocarbons at 25 C, J. Chem. Eng. Data, 55, 819–825, doi:10.1021/JE900477X (2010).
  • McCarty, P. L.: Organics in water an engineering challenge, J. Environ. Eng. Div., 106, 1–17 (1980).
  • Nirmalakhandan, N. N. & 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., & 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., & 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, 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. & 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).
  • Shiu, W.-Y. & 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).
  • Smith, J. R., Neuhauser, E. F., Middleton, A. C., Cunningham, J. J., Weightman, R. L., & Linz, D. G.: Treatment of organically contaminated groundwaters in municipal activated sludge systems, Water Environ. Res., 65, 804–818, doi:10.2175/WER.65.7.2 (1993).
  • Warner, H. P., Cohen, J. M., & 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).

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.
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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