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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

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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

Hscp d ln Hs cp / 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. & 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., & 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., & 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., & 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., & 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. & Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc. (2003).
  • Gaffney, J. S. & 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. & 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., & 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., & 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., & 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., & 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., & 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. & 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. & 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., & 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., & 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, URL 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., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, URL http://jpldataeval.jpl.nasa.gov (2011).
  • Schaffer, D. L. & 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. & 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., & 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., & 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., & 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. & 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. & 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., & 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., & 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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