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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 ConstantsOrganic species with nitrogen (N)Nitro compounds (RNO2) → nitrobenzene

FORMULA:C6H5NO2
CAS RN:98-95-3
STRUCTURE
(FROM NIST):
InChIKey:LQNUZADURLCDLV-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
6.4×10−1 7500 Hiatt (2013) M
1.4×10−1 Zhang et al. (2013) M
2.3×10−2 11000 Dewulf et al. (1999) M 233)
1.2 Altschuh et al. (1999) M
1.4×10−1 Hellmann (1987) M 31)
4.1×10−1 Warner et al. (1980) M
4.8×10−1 6400 Bernauer et al. (2006) V
7.7×10−1 Mackay et al. (2006d) V
4.2×10−1 Lide and Frederikse (1995) V
7.7×10−1 Mackay et al. (1995) V
4.6×10−1 Hwang et al. (1992) V
7.8×10−1 Yoshida et al. (1983) V
4.3×10−1 Warner et al. (1980) V
4.2×10−1 Hine and Mookerjee (1975) V
4.7×10−1 4500 Goldstein (1982) X 116)
4.2×10−1 Hilal et al. (2008) C
4.1×10−1 Schüürmann (2000) C 7)
7.5×10−1 Mackay et al. (1995) C
7.5×10−1 Ryan et al. (1988) C
4.1×10−1 Shen (1982) C
2.2×10−1 Hilal et al. (2008) Q
4600 Kühne et al. (2005) Q
3.3 Nirmalakhandan et al. (1997) Q
5600 Kühne et al. (2005) ?
4.2×10−1 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).
  • 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).
  • Bernauer, M., Dohnal, V., Roux, A. H., Roux-Desgranges, G., & Majer, V.: Temperature dependences of limiting activity coefficients and Henry’s law constants for nitrobenzene, aniline, and cyclohexylamine in water, J. Chem. Eng. Data, 51, 1678–1685, doi:10.1021/JE060136Y (2006).
  • Dewulf, J., van Langenhove, H., & 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).
  • 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).
  • Hellmann, H.: Model tests on volatilization of organic trace substances in surfaces waters, Fresenius J. Anal. Chem., 328, 475–479, doi:10.1007/BF00475967 (1987).
  • 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., & 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).
  • Lide, D. R. & Frederikse, H. P. R., eds.: CRC Handbook of Chemistry and Physics, 76th Edition, CRC Press, Inc., Boca Raton, FL (1995).
  • Mackay, D., Shiu, W. Y., & Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Oxygen, Nitrogen, and Sulfur Containing Compounds, Lewis Publishers, Boca Raton (1995).
  • Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Nitrogen and Sulfur Containing Compounds and Pesticides, CRC/Taylor & Francis Group (2006d).
  • Nirmalakhandan, N., Brennan, R. A., & Speece, R. E.: Predicting Henry’s law constant and the effect of temperature on Henry’s law constant, Wat. Res., 31, 1471–1481, doi:10.1016/S0043-1354(96)00395-8 (1997).
  • 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).
  • 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).
  • 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).
  • Yoshida, K., Shigeoka, T., & Yamauchi, F.: Non-steady state equilibrium model for the preliminary prediction of the fate of chemicals in the environment, Ecotoxicol. Environ. Saf., 7, 179–190, doi:10.1016/0147-6513(83)90064-7 (1983).
  • Zhang, W., Huang, L., Yang, C., & Ying, W.: Experimental method for estimating Henry’s law constant of volatile organic compound, Asian J. Chem., 25, 2647–2650, doi:10.14233/ajchem.2013.13584 (2013).

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.
31) Value at T = 295 K.
116) Value given here as quoted by Staudinger and Roberts (1996).
233) The data listed in Tabs. 2 and 3 of Dewulf et al. (1999) are inconsistent, with 27 % difference.

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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