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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 Constants → Organic species with oxygen (O) → Alcohols (ROH) → 1-hexanol

FORMULA:C6H14O
CAS RN:111-27-3
STRUCTURE
(FROM NIST):
InChIKey:ZSIAUFGUXNUGDI-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
5.7×10−1 7300 Shunthirasingham et al. 2013 M
5.1×10−1 6100 Lei et al. 2007 M 156)
3.9×10−1 5800 Falabella et al. 2006 M 89) 130)
3.9×10−1 5800 Gupta et al. 2000 M
9.8×10−1 Altschuh et al. 1999 M
6.4×10−1 Li and Carr 1993 M
6.9×10−1 Rytting et al. 1978 M
5.8×10−1 Buttery et al. 1969 M
5.3×10−1 Mackay et al. 2006c V
5.3×10−1 Mackay et al. 1995 V
7.6×10−1 Hwang et al. 1992 V
8200 Abraham 1984 V
6.4×10−1 Hine and Mookerjee 1975 V
6.4×10−1 Butler et al. 1935 V
3.7×10−1 Hilal et al. 2008 Q
7900 Kühne et al. 2005 Q
4.7×10−1 Yaws et al. 1997 Q
6.2×10−1 Nirmalakhandan and Speece 1988a Q
8400 Kühne et al. 2005 ?
5.3×10−1 Yaws and Yang 1992 ? 92)
6.9×10−1 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.
  • Falabella, J. B., Nair, A., and Teja, A. S.: Henry's constants of 1-alkanols and 2-ketones in salt solutions, J. Chem. Eng. Data, 51, 1940-1945, doi:10.1021/JE0600956, 2006.
  • Gupta, A. K., Teja, A. S., Chai, X. S., and Zhu, J. Y.: Henry's constants of n-alkanols (methanol through n-hexanol) in water at temperatures between 40 ° C and 90 ° C, Fluid Phase Equilib., 170, 183-192, doi:10.1016/S0378-3812(00)00350-2, 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.
  • 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.
  • 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.
  • 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.
  • Li, J. and Carr, P. W.: Measurement of water-hexadecane partition coefficients by headspace gas chromatography and calculation of limiting activity coefficients in water, Anal. Chem., 65, 1443-1450, doi:10.1021/AC00058A023, 1993.
  • 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.
  • Rytting, J. H., Huston, L. P., and Higuchi, T.: Thermodynamic group contributions for hydroxyl, amino, and methylene groups, J. Pharm. Sci., 69, 615-618, doi:10.1002/JPS.2600670510, 1978.
  • 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

89) Measured at high temperature and extrapolated to T⊖ = 298.15 K.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
130) Values for salt solutions are also available from this reference.
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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