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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 → phenanthrene

FORMULA:C14H10
CAS RN:85-01-8
STRUCTURE
(FROM NIST):
InChIKey:YNPNZTXNASCQKK-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.3×10−1 Ma et al. (2010) L 143)
2.3×10−1 Ma et al. (2010) L 144)
2.3×10−1 4200 Fogg and Sangster (2003) L
2.5×10−1 Mackay and Shiu (1981) L
1.8×10−1 Lee et al. (2012) M
2.7×10−1 7700 Odabasi et al. (2006) M
2.3×10−1 6000 Bamford et al. (1999a) M
1.6×10−1 7600 Bamford et al. (1999b) M
3.4×10−1 De Maagd et al. (1998) M 9)
2.8×10−1 Shiu and Mackay (1997) M
2.1×10−1 3800 Alaee et al. (1996) M
2.5×10−1 Zhang and Pawliszyn (1993) M
4.2×10−1 Fendinger and Glotfelty (1990) M
2.7×10−1 Mackay and Shiu (1981) M
2.5×10−1 Mackay et al. (1979) M
1.8×10−1 Southworth (1979) M
3.1×10−1 Mackay et al. (2006a) V
3.1×10−1 Shiu and Ma (2000) V
3.8×10−1 De Maagd et al. (1998) V 9)
3.1×10−1 Shiu and Mackay (1997) V
3.2×10−2 Hwang et al. (1992) V
2.8×10−1 Eastcott et al. (1988) V
3.2×10−1 Cabani et al. (1981) V
2.0×10−1 Southworth (1979) V
3.9×10−1 Hine and Mookerjee (1975) V
9.3×10−2 4900 Paasivirta et al. (1999) T
9.3×10−2 4700 Goldstein (1982) X 116)
7.6×10−2 McCarty (1980) X 145)
2.5×10−1 Smith et al. (1993) C 113)
2.5×10−1 Ryan et al. (1988) C
2.6×10−1 Hilal et al. (2008) Q
4800 Kühne et al. (2005) Q
4.8×10−1 Nirmalakhandan and Speece (1988a) Q
2.6×10−1 Arbuckle (1983) Q
5300 Kühne et al. (2005) ?
2.7×10−1 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).
  • Alaee, M., Whittal, R. M., & Strachan, W. M. J.: The effect of water temperature and composition on Henry’s law constant for various PAH’s, Chemosphere, 32, 1153–1164, doi:10.1016/0045-6535(96)00031-8 (1996).
  • Arbuckle, W. B.: Estimating activity coefficients for use in calculating environmental parameters, Environ. Sci. Technol., 17, 537–542, doi:10.1021/ES00115A008 (1983).
  • 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).
  • Hine, J. & 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., & 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., & 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., & 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).
  • Odabasi, M., Cetin, B., & Sofuoglu, A.: Henry’s law constant, octanol-air partition coefficient and supercooled liquid vapor pressure of carbazole as a function of temperature: Application to gas/particle partitioning in the atmosphere, Chemosphere, 62, 1087–1096, doi:10.1016/J.CHEMOSPHERE.2005.05.035 (2006).
  • 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).
  • 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).
  • Southworth, G. R.: The role of volatilization in removing polycyclic aromatic hydrocarbons from aquatic environments, Bull. Environ. Contam. Toxicol., 21, 507–514, doi:10.1007/BF01685462 (1979).
  • Zhang, Z. & Pawliszyn, J.: Headspace solid-phase microextraction, Anal. Chem., 65, 1843–1852, doi:10.1021/AC00062A008 (1993).

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.
113) Value at T = 294 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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