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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) → Alcohols (ROH) → 4-tert-butylphenol

FORMULA:C10H14O
CAS RN:98-54-4
STRUCTURE
(FROM NIST):
InChIKey:QHPQWRBYOIRBIT-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
8.9 7700 Parsons et al. 1972 M 168)
1.6×101 Mackay et al. 2006c V
2.1×101 Mackay et al. 1995 V
2.1 Hilal et al. 2008 Q
2.4×101 Nirmalakhandan et al. 1997 Q
2.7 Nirmalakhandan and Speece 1988a Q
1.5×10−1 Betterton 1992 ? 172)
8.8 Abraham et al. 1990 ?

References

  • Abraham, M. H., Whiting, G. S., Fuchs, R., and 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.
  • Betterton, E. A.: Henry's law constants of soluble and moderately soluble organic gases: Effects on aqueous phase chemistry, Adv. Environ. Sci. Technol., 24, 1-50, 1992.
  • 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.
  • 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.
  • Nirmalakhandan, N. N. and Speece, R. E.: QSAR model for predicting Henry's constant, Environ. Sci. Technol., 22, 1349-1357, doi:10.1021/ES00176A016, 1988a.
  • Nirmalakhandan, N., Brennan, R. A., and 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.
  • Parsons, G. H., Rochester, C. H., Rostron, A., and Sykes, P. C.: The thermodynamics of hydration of phenols, J. Chem. Soc. Perkin Trans. 2, pp. 136-138, doi:10.1039/P29720000136, 1972.

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

168) It is assumed here that the thermodynamic data refers to the units [mol dm−3] and [atm] as standard states.
172) Betterton (1992) gives Buttery et al. (1969) as the source. However, no data were found in that reference.

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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