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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

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 ConstantsOrganic species with oxygen (O)Alcohols (ROH) → 1-octanol

FORMULA:C8H18O
CAS RN:111-87-5
STRUCTURE
(FROM NIST):
InChIKey:KBPLFHHGFOOTCA-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.1×10−1 6900 Shunthirasingham et al. 2013 M
1.9×10−1 6000 Lei et al. 2007 M 156)
6.5×10−1 Altschuh et al. 1999 M
4.0×10−1 Buttery et al. 1969 M
3.8×10−1 Mackay et al. 2006c V
2.4×10−1 Mackay et al. 1995 V
8900 Abraham 1984 V
4.1×10−1 Hine and Mookerjee 1975 V
4.1×10−1 Butler et al. 1935 V
3.3×10−1 Savary et al. 2014 Q
2.5×10−1 Hilal et al. 2008 Q
8600 Kühne et al. 2005 Q
3.9×10−1 Yaws et al. 1997 Q
3.9×10−1 Nirmalakhandan and Speece 1988a Q
7700 Kühne et al. 2005 ?
6.2×10−1 Yaws and Yang 1992 ? 92)
4.0×10−1 Abraham et al. 1990 ?

References

  • Abraham, M. H.: Thermodynamics of solution of homologous series of solutes in water, J. Chem. Soc. Faraday Trans. 1, 80, 153-181, doi:10.1039/F19848000153, 1984.
  • 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.
  • Altschuh, J., Brüggemann, R., Santl, H., Eichinger, G., and 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.
  • Butler, J. A. V., Ramchandani, C. N., and Thomson, D. W.: The solubility of non-electrolytes. Part I. The free energy of hydration of some aliphatic alcohols, J. Chem. Soc., pp. 280-285, doi:10.1039/JR9350000280, 1935.
  • Buttery, R. G., Ling, L. C., and Guadagni, D. G.: Volatilities of aldehydes, ketones, and esters in dilute water solutions, J. Agric. Food Chem., 17, 385-389, doi:10.1021/JF60162A025, 1969.
  • 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.
  • Hine, J. and 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.
  • 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.
  • Lei, Y. D., Shunthirasingham, C., and Wania, F.: Comparison of headspace and gas-stripping techniques for measuring the air-water partititioning of normal alkanols (C4 to C10) - effect of temperature, chain length and adsorption to the water surface, J. Chem. Eng. Data, 52, 168-179, doi:10.1021/JE060344Q, 2007.
  • 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.
  • Savary, G., Hucher, N., Petibon, O., and Grisel, M.: Study of interactions between aroma compounds and acacia gum using headspace measurements, Food Hydrocolloids, 37, 1-6, doi:10.1016/J.FOODHYD.2013.10.026, 2014.
  • Shunthirasingham, C., Cao, X., Lei, Y. D., and Wania, F.: Larger bubbles reduce the surface sorption artifact during inert gas stripping, J. Chem. Eng. Data, 58, 792-797, doi:10.1021/JE301326T, 2013.
  • Yaws, C. L. and Yang, H.-C.: Henry's law constant for compound in water, in: Thermodynamic and Physical Property Data, edited by Yaws, C. L., pp. 181-206, Gulf Publishing Company, Houston, TX, 1992.
  • Yaws, C. L., Hopper, J. R., Sheth, S. D., Han, M., and Pike, R. W.: Solubility and Henry's law constant for alcohols in water, Waste Manage., 17, 541-547, doi:10.1016/S0956-053X(97)10057-5, 1997.

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

92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
156) Extrapolated from data above 298 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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