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Henry's Law Constants

Rolf Sander

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Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

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Henry's Law Constants

Notes

References

Errata

Contact, Impressum, Acknowledgements

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 Constants → Organic species with oxygen (O) → Esters (RCOOR) → dibutyl phthalate

FORMULA:C16H22O4
CAS RN:84-74-2
STRUCTURE
(FROM NIST):
InChIKey:DOIRQSBPFJWKBE-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
9.3 Lee et al. 2012 M
5.5 Atlas et al. 1983 M 126)
2.2×101 Mackay et al. 2006c V
2.7×101 Saçan et al. 2005 V
7.5 Cousins and Mackay 2000 V
1.1×101 Staples et al. 1997 V
2.2×101 Lide and Frederikse 1995 V
2.0×101 Mackay et al. 1995 V
2.6×102 Hwang et al. 1992 V
7.6 Wolfe et al. 1980 V
1.6×10−1 McCarty 1980 X 145)
3.4×101 Ryan et al. 1988 C
2.9×101 Hilal et al. 2008 Q
14000 Kühne et al. 2005 Q
3.7×101 Saçan et al. 2005 Q
13000 Kühne et al. 2005 ?

References

  • Atlas, E., Velasco, A., Sullivan, K., and Giam, C. S.: A radiotracer study of air-water exchange of synthetic organic compounds, Chemosphere, 12, 1251-1258, doi:10.1016/0045-6535(83)90130-3, 1983.
  • Cousins, I. and Mackay, D.: Correlating the physical-chemical properties of phthalate esters using the `three solubility' approach, Chemosphere, 41, 1389-1399, doi:10.1016/S0045-6535(00)00005-9, 2000.
  • 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.
  • 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.
  • 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.
  • Mackay, D., Shiu, W. Y., and 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., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Oxygen Containing Compounds , CRC/Taylor & Francis Group, 2006c.
  • McCarty, P. L.: Organics in water — an engineering challenge, J. Environ. Eng. Div., 106, 1-17, 1980.
  • 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.
  • Saçan, M. T., Özkul, M., and Erdem, S. S.: Physico-chemical properties of PCDD/PCDFs and phthalate esters, SAR QSAR Environ. Res., 16, 443-459, doi:10.1080/10659360500320602, 2005.
  • Staples, C. A., Peterson, D. R., Parkerton, T. F., and Adams, W. J.: The environmental fate of phthalate esters: A literature review, Chemosphere, 35, 667-749, doi:10.1016/S0045-6535(97)00195-1, 1997.
  • Wolfe, N. L., Burns, L. A., and Steen, W. C.: Use of linear free energy relationships and an evaluative model to assess the fate and transport of phthalate esters in the aquatic environment, Chemosphere, 9, 393-402, doi:10.1016/0045-6535(80)90022-3, 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

126) Value at T = 296 K.
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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