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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-butanol

FORMULA:C4H9OH
CAS RN:71-36-3
STRUCTURE
(FROM NIST):
InChIKey:LRHPLDYGYMQRHN-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.2 7500 Sander et al. 2011 L
1.3 7200 Sander et al. 2006 L
1.2 7500 Dohnal et al. 2006 L
1.1 6300 Fogg and Sangster 2003 L
1.0 6800 Shunthirasingham et al. 2013 M
1.3 Vitenberg and Dobryakov 2008 M
1.1 6000 Lei et al. 2007 M 156)
8.2×10−1 6200 Falabella et al. 2006 M 89) 130)
1.1 Kim et al. 2000 M
8.2×10−1 6200 Gupta et al. 2000 M
1.2 Altschuh et al. 1999 M
1.4×10−1 Chaintreau et al. 1995 M
1.1 Li and Carr 1993 M
6.1×10−1 5600 Kolb et al. 1992 M 102)
1.2 7200 Snider and Dawson 1985 M
5.3×10−1 Friant and Suffet 1979 M 23)
1.2 Rytting et al. 1978 M
1.1 Amoore and Buttery 1978 M
1.1 Buttery et al. 1969 M
1.4 Burnett 1963 M
1.2 Butler et al. 1935 M 152)
1.1 Mackay et al. 2006c V
7.3×10−1 Mackay et al. 1995 V
8.3×10−1 Hwang et al. 1992 V
7400 Abraham 1984 V
1.2 Amoore and Buttery 1978 V
1.2 Butler et al. 1935 V
5.6×10−1 Hilal et al. 2008 Q
7200 Kühne et al. 2005 Q
1.1 Yaws et al. 1997 Q
9.9×10−1 Nirmalakhandan and Speece 1988a Q
6900 Kühne et al. 2005 ?
1.2 Abraham et al. 1990 ?
1.8 Mackay and Yeun 1983 ?

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.
  • Amoore, J. E. and Buttery, R. G.: Partition coefficient and comparative olfactometry, Chem. Senses Flavour, 3, 57-71, doi:10.1093/CHEMSE/3.1.57, 1978.
  • Burnett, M. G.: Determination of partition coefficients at infinite dilution by the gas chromatographic analysis of the vapor above dilute solutions, Anal. Chem., 35, 1567-1570, doi:10.1021/AC60204A007, 1963.
  • 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.
  • Chaintreau, A., Grade, A., and Muñoz-Box, R.: Determination of partition coefficients and quantitation of headspace volatile compounds, Anal. Chem., 67, 3300-3304, doi:10.1021/AC00114A029, 1995.
  • Dohnal, V., Fenclová, D., and Vrbka, P.: Temperature dependences of limiting activity coefficients, Henry's law constants, and derivative infinite dilution properties of lower (C1-C5) 1-alkanols in water. critical compilation, correlation, and recommended data, J. Phys. Chem. Ref. Data, 35, 1621-1651, doi:10.1063/1.2203355, 2006.
  • 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.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • Friant, S. L. and Suffet, I. H.: Interactive effects of temperature, salt concentration, and pH on head space analysis for isolating volatile trace organics in aqueous environmental samples, Anal. Chem., 51, 2167-2172, doi:10.1021/AC50049A027, 1979.
  • 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.
  • 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.
  • Kim, B. R., Kalis, E. M., DeWulf, T., and Andrews, K. M.: Henry's Law constants for paint solvents and their implications on volatile organic compound emissions from automotive painting, Water Environ. Res., 72, 65-74, doi:10.2175/106143000X137121, 2000.
  • Kolb, B., Welter, C., and Bichler, C.: Determination of partition coefficients by automatic equilibrium headspace gas chromatography by vapor phase calibration, Chromatographia, 34, 235-240, doi:10.1007/BF02268351, 1992.
  • 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. and Yeun, A. T. K.: Mass transfer coefficient correlations for volatilization of organic solutes from water, Environ. Sci. Technol., 17, 211-217, doi:10.1021/ES00110A006, 1983.
  • 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.
  • Sander, S. P., Friedl, R. R., Golden, D. M., Kurylo, M. J., Moortgat, G. K., Keller-Rudek, H., Wine, P. H., Ravishankara, A. R., Kolb, C. E., Molina, M. J., Finlayson-Pitts, B. J., Huie, R. E., and Orkin, V. L.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15, JPL Publication 06-2, Jet Propulsion Laboratory, Pasadena, CA, http://jpldataeval.jpl.nasa.gov, 2006.
  • Sander, S. P., Abbatt, J., Barker, J. R., Burkholder, J. B., Friedl, R. R., Golden, D. M., Huie, R. E., Kolb, C. E., Kurylo, M. J., Moortgat, G. K., Orkin, V. L., and Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, http://jpldataeval.jpl.nasa.gov, 2011.
  • 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.
  • Snider, J. R. and Dawson, G. A.: Tropospheric light alcohols, carbonyls, and acetonitrile: Concentrations in the southwestern United States and Henry's law data, J. Geophys. Res., 90D, 3797-3805, doi:10.1029/JD090ID02P03797, 1985.
  • Vitenberg, A. G. and Dobryakov, Y. G.: Gas-chromatographic determination of the distribution ratios of volatile substances in gas-liquid systems, Russ. J. Appl. Chem., 81, 339-359, doi:10.1134/S1070427208030014, 2008.
  • 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

23) Value at T = 303 K.
89) Measured at high temperature and extrapolated to T = 298.15 K.
102) Extrapolated from data measured between 40 °C and 80 °C.
130) Values for salt solutions are also available from this reference.
152) This paper supersedes earlier work with more concentrated solutions (Butler et al. 1933).
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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