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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 → pyrene

FORMULA:C16H10
CAS RN:129-00-0
STRUCTURE
(FROM NIST):
InChIKey:BBEAQIROQSPTKN-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
7.5×10−1 Ma et al. (2010) L 143)
7.5×10−1 Ma et al. (2010) L 144)
6.6×10−1 4800 Fogg and Sangster (2003) L
8.3×10−1 Mackay and Shiu (1981) L
4.1×10−1 Lee et al. (2012) M
8.5×10−1 6300 Reza and Trejo (2004) M
2.0 Altschuh et al. (1999) M
5.9×10−1 5500 Bamford et al. (1999a) M
5.0×10−1 De Maagd et al. (1998) M 9)
1.1 De Maagd et al. (1998) M 9)
8.3×10−1 Shiu and Mackay (1997) M
9.1×10−1 Mackay and Shiu (1981) M
5.3×10−1 Southworth (1979) M
1.1 Mackay et al. (2006a) V
1.1 Shiu and Ma (2000) V
1.4 De Maagd et al. (1998) V 9)
1.1 Shiu and Mackay (1997) V
3.6×10−2 Hwang et al. (1992) V
1.1 Eastcott et al. (1988) V
7.6×10−1 Cabani et al. (1981) V
9.4×10−1 Southworth (1979) V
1.4×10−1 5700 Paasivirta et al. (1999) T
1.9 Smith et al. (1993) C 146)
1.4×10−3 Ryan et al. (1988) C
7.6 Petrasek et al. (1983) C
2.3×10−1 Hilal et al. (2008) Q
5200 Kühne et al. (2005) Q
5.4×10−1 Nirmalakhandan and Speece (1988a) Q
5500 Kühne et al. (2005) ?
9.0×10−1 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).
  • Altschuh, J., Brüggemann, R., Santl, H., Eichinger, G., & 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).
  • 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).
  • 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).
  • Fogg, P. & Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc. (2003).
  • 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).
  • 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).
  • 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).
  • Petrasek, A. C., Kugelman, I. J., Austern, B. M., Pressley, T. A., Winslow, L. A., & Wise, R. H.: Fate of toxic organic compounds in wastewater treatment plants, J. Water Pollut. Control Fed., 55, 1286–1296 (1983).
  • Reza, J. & Trejo, A.: Temperature dependence of the infinite dilution activity coefficient and Henry’s law constant of polycyclic aromatic hydrocarbons in water, Chemosphere, 56, 537–547, doi:10.1016/J.CHEMOSPHERE.2004.04.020 (2004).
  • 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).

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.
143) Literature-derived value.
144) Final adjusted value.
146) Value at T = 299 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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