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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) → methanol

FORMULA:CH3OH
CAS RN:67-56-1
STRUCTURE
(FROM NIST):
InChIKey:OKKJLVBELUTLKV-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.0 5600 Sander et al. 2011 L 151)
2.1 5300 Warneck 2006 L
2.2 5200 Sander et al. 2006 L
2.0 5500 Dohnal et al. 2006 L
1.7 4500 Fogg and Sangster 2003 L
3.6×10−2 St-Pierre et al. 2014 M 75)
2.1 Vitenberg and Dobryakov 2008 M
7.8×10−1 Helburn et al. 2008 M
2.0 5600 Teja et al. 2001 M 89) 130)
2.6 5900 Zhu et al. 2000 M
2.0 5500 Gupta et al. 2000 M
1.6 Altschuh et al. 1999 M
2.2 Li and Carr 1993 M
2.2 5200 Snider and Dawson 1985 M
2.2 Rytting et al. 1978 M
2.3 Burnett 1963 M
2.2 5700 Glew and Moelwyn-Hughes 1953 M
2.3 Butler et al. 1935 M 152)
7.6×10−2 Abraham and Acree 2007 V
1.9 Hwang et al. 1992 V
2.8 Riederer 1990 V
5400 Abraham 1984 V
1.6 5600 Schaffer and Daubert 1969 X 116)
2.2 Gaffney and Senum 1984 X 153)
2.1 Timmermans 1960 X 154)
2.0 Hilal et al. 2008 Q
6200 Kühne et al. 2005 Q
1.5 Yaws et al. 1997 Q
1.8 Nirmalakhandan and Speece 1988a Q
2.4 Taft et al. 1985 Q
5000 Kühne et al. 2005 ?
1.9 Yaws 1999 ?
1.4 Yaws and Yang 1992 ? 92)
2.2 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. and Acree, Jr., W. E.: Prediction of gas to water partition coefficients from 273 to 373 K using predicted enthalpies and heat capacities of hydration, Fluid Phase Equilib., 262, 97-110, doi:10.1016/J.FLUID.2007.08.011, 2007.
  • 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.
  • 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.
  • 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.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • Gaffney, J. S. and Senum, G. I.: Peroxides, peracids, aldehydes, and PANs and their links to natural and anthropogenic organic sources, in: Gas-Liquid Chemistry of Natural Waters, edited by Newman, L., pp. 5-1-5-7, NTIS TIC-4500, UC-11, BNL 51757 Brookhaven National Laboratory, 1984.
  • Glew, D. N. and Moelwyn-Hughes, E. A.: Chemical statics of the methyl halides in water, Discuss. Faraday Soc., 15, 150-161, doi:10.1039/DF9531500150, 1953.
  • 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.
  • Helburn, R., Albritton, J., Howe, G., Michael, L., and Franke, D.: Henry's law constants for fragrance and organic solvent compounds in aqueous industrial surfactants, J. Chem. Eng. Data, 53, 1071-1079, doi:10.1021/JE700418A, 2008.
  • 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.
  • 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.
  • 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.
  • Riederer, M.: Estimating partitioning and transport of organic chemicals in the foliage/atmosphere system: discussion of a fugacity-based model, Environ. Sci. Technol., 24, 829-837, doi:10.1021/ES00076A006, 1990.
  • 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.
  • Schaffer, D. L. and Daubert, T. E.: Gas-liquid chromatographic determination of solution properties of oxygenated compounds in water, Anal. Chem., 41, 1585-1589, doi:10.1021/AC60281A016, 1969.
  • 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.
  • St-Pierre, J., Wetton, B., Zhai, Y., and Gea, J.: Liquid water scavenging of PEMFC contaminants, J. Electrochem. Soc., 161, E3357-E3364, doi:10.1149/2.0291409JES, 2014.
  • Taft, R. W., Abraham, M. H., Doherty, R. M., and Kamlet, M. J.: The molecular properties governing solubilities of organic nonelectrolytes in water, Nature, 313, 384-386, doi:10.1038/313384A0, 1985.
  • Teja, A. S., Gupta, A. K., Bullock, K., Chai, X.-S., and Zhu, J.: Henry's constants of methanol in aqueous systems containing salts, Fluid Phase Equilib., 185, 265-274, doi:10.1016/S0378-3812(01)00476-9, 2001.
  • Timmermans, J.: The Physico-Chemical Constants of Binary Systems in Concentrated Solutions, Vol. 4, Interscience Publisher, Inc., New York, NY, 1960.
  • 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.
  • Warneck, P.: A note on the temperature dependence of Henry's Law coefficients for methanol and ethanol, Atmos. Environ., 40, 7146-7151, doi:10.1016/J.ATMOSENV.2006.06.024, 2006.
  • Yaws, C. L., ed.: Chemical Properties Handbook, McGraw-Hill, Inc., 1999.
  • 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.
  • Zhu, J. Y., Liu, P. H., Chai, X. S., Bullock, K. R., and Teja, A. S.: Henry's law constant of methanol in pulping spent liquors, Environ. Sci. Technol., 34, 1742-1746, doi:10.1021/ES990415O, 2000.

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

75) Value at T = 353 K.
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.
116) Value given here as quoted by Staudinger and Roberts (1996).
130) Values for salt solutions are also available from this reference.
151) The H298 and A,B,C data listed in Table 5.4 of Sander et al. (2011) are inconsistent, with 92 % difference.
152) This paper supersedes earlier work with more concentrated solutions (Butler et al. 1933).
153) Value given here as quoted by Gaffney et al. (1987).
154) Value given here as quoted by Hine and Weimar (1965).

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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