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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)Ketones (RCOR) → butanone

FORMULA:C2H5COCH3
TRIVIAL NAME: methyl ethyl ketone; MEK
CAS RN:78-93-3
STRUCTURE
(FROM NIST):
InChIKey:ZWEHNKRNPOVVGH-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.8×10−1 5700 Sander et al. (2011) L
1.8×10−1 5700 Sander et al. (2006) L
1.9×10−1 4600 Fogg and Sangster (2003) L
1.8×10−1 5400 Staudinger and Roberts (2001) L
2.0×10−1 5000 Staudinger and Roberts (1996) L
1.0×10−1 Kim and Kim (2014) M
9.5×10−2 Helburn et al. (2008) M
2.1×10−1 5200 Ji and Evans (2007) M
1.5×10−1 4400 Falabella et al. (2006) M 89) 130)
2.7×10−2 12000 Strekowski and George (2005) M
1.7×10−1 Straver and de Loos (2005) M
1.5×10−1 4500 Chai et al. (2005) M 89)
Cheng et al. (2004) M 123)
Cheng et al. (2003) M 123)
1.1×10−1 Karl et al. (2003) M
1.6×10−1 Kim et al. (2000) M
1.9×10−1 Chaintreau et al. (1995) M
1.4×10−1 4700 Ettre et al. (1993) M 89)
1.9×10−1 5000 Zhou and Mopper (1990) M 188)
6.8×10−2 -5200 Ashworth et al. (1988) M 103)
1.3×10−1 Hellmann (1987) M 31)
1.8×10−1 Park et al. (1987) M
1.7×10−1 5700 Snider and Dawson (1985) M
1.4×10−1 Hawthorne et al. (1985) M
1.0×10−1 Friant and Suffet (1979) M 23)
9.8×10−2 Sato and Nakajima (1979a) M 19)
1.8×10−1 Vitenberg et al. (1975) M
1.1×10−1 Vitenberg et al. (1974) M
1.9×10−1 Rohrschneider (1973) M
2.1×10−1 Buttery et al. (1969) M
1.1×10−2 Abraham and Acree (2007) V
2.8×10−1 Mackay et al. (2006c) V
2.8×10−1 Mackay et al. (1995) V
2.6×10−1 Hwang et al. (1992) V
1.6×10−1 Rathbun and Tai (1982) V
7.1×10−2 Hine and Weimar (1965) R
2.1×10−1 5500 Bagno et al. (1991) T 196)
5500 Della Gatta et al. (1981) T 100)
7.1×10−2 5800 Janini and Quaddora (1986) X 116)
2.3×10−1 Mackay et al. (1995) C
4.1×10−1 Harrison et al. (1993) C
1.9×10−1 Cabani et al. (1981) C
1.3×10−1 Hilal et al. (2008) Q
5900 Kühne et al. (2005) Q
1.6×10−1 Nirmalakhandan et al. (1997) Q
1.0×10−1 Mackay et al. (2006c) ? 7)
5300 Kühne et al. (2005) ?
1.5×10−1 Yaws et al. (1998) ?
3.1×10−1 Betterton (1991) ?
2.1×10−1 Abraham et al. (1990) ?

References

  • 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).
  • Ashworth, R. A., Howe, G. B., Mullins, M. E., & Rogers, T. N.: Air-water partitioning coefficients of organics in dilute aqueous solutions, J. Hazard. Mater., 18, 25–36, doi:10.1016/0304-3894(88)85057-X (1988).
  • Bagno, A., Lucchini, V., & Scorrano, G.: Thermodynamics of protonation of ketones and esters and energies of hydration of their conjugate acids, J. Phys. Chem., 95, 345–352, doi:10.1021/J100154A063 (1991).
  • Betterton, E. A.: The partitioning of ketones between the gas and aqueous phases, Atmos. Environ., 25A, 1473–1477, doi:10.1016/0960-1686(91)90006-S (1991).
  • Buttery, R. G., Ling, L. C., & 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).
  • Cabani, S., Gianni, P., Mollica, V., & Lepori, L.: Group contributions to the thermodynamic properties of non-ionic organic solutes in dilute aqueous solution, J. Solution Chem., 10, 563–595, doi:10.1007/BF00646936 (1981).
  • Chai, X.-S., Falabella, J. B., & Teja, A. S.: A relative headspace method for Henry’s constants of volatile organic compounds, Fluid Phase Equilib., 231, 239–245, doi:10.1016/J.FLUID.2005.02.006 (2005).
  • Chaintreau, A., Grade, A., & Muñoz-Box, R.: Determination of partition coefficients and quantitation of headspace volatile compounds, Anal. Chem., 67, 3300–3304, doi:10.1021/AC00114A029 (1995).
  • Cheng, W.-H., Chu, F.-S., & Liou, J.-J.: Air-water interface equilibrium partitioning coefficients of aromatic hydrocarbons, Atmos. Environ., 37, 4807–4815, doi:10.1016/J.ATMOSENV.2003.08.012 (2003).
  • Cheng, W.-H., Chou, M.-S., Perng, C.-H., & Chu, F.-S.: Determining the equilibrium partitioning coefficients of volatile organic compounds at an air-water interface, Chemosphere, 54, 935–942, doi:10.1016/J.CHEMOSPHERE.2003.08.038 (2004).
  • Della Gatta, G., Stradella, L., & Venturello, P.: Enthalpies of solvation in cyclohexane and in water for homologous aliphatic ketones and esters, J. Solution Chem., 10, 209–220, doi:10.1007/BF00653098 (1981).
  • Ettre, L. S., Welter, C., & Kolb, B.: Determination of gas-liquid partition coefficients by automatic equilibrium headspace - gas chromatography utilizing the phase ratio variation method, Chromatographia, 35, 73–84, doi:10.1007/BF02278560 (1993).
  • Falabella, J. B., Nair, A., & 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. & Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc. (2003).
  • Friant, S. L. & 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).
  • Harrison, D. P., Valsaraj, K. T., & Wetzel, D. M.: Air stripping of organics from ground water, Waste Manage., 13, 417–429, doi:10.1016/0956-053X(93)90074-7 (1993).
  • Hawthorne, S. B., Sievers, R. E., & Barkley, R. M.: Organic emissions from shale oil wastewaters and their implications for air quality, Environ. Sci. Technol., 19, 992–997, doi:10.1021/ES00140A018 (1985).
  • 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).
  • Hellmann, H.: Model tests on volatilization of organic trace substances in surfaces waters, Fresenius J. Anal. Chem., 328, 475–479, doi:10.1007/BF00475967 (1987).
  • 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).
  • Hine, J. & Weimar, Jr., R. D.: Carbon basicity, J. Am. Chem. Soc., 87, 3387–3396, doi:10.1021/JA01093A018 (1965).
  • 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).
  • Janini, G. M. & Quaddora, L. A.: Determination of activity coefficients of oxygenated hydrocarbons by liquid-liquid chromatography, J. Liq. Chromatogr., 9, 39–53, doi:10.1080/01483918608076621 (1986).
  • Ji, C. & Evans, E. M.: Using an internal standard method to determine Henry’s law constants, Environ. Toxicol. Chem., 26, 231–236, doi:10.1897/06-339R.1 (2007).
  • Karl, T., Yeretzian, C., Jordan, A., & Lindinger, W.: Dynamic measurements of partition coefficients using proton-transfer-reaction mass spectrometry (PTR-MS), Int. J. Mass Spectrom., 223-224, 383–395, doi:10.1016/S1387-3806(02)00927-2 (2003).
  • Kim, Y.-H. & Kim, K.-H.: Recent advances in thermal desorption-gas chromatography-mass spectrometery method to eliminate the matrix effect between air and water samples: Application to the accurate determination of Henry’s law constant, J. Chromatogr. A, 1342, 78–85, doi:10.1016/J.CHROMA.2014.03.040 (2014).
  • Kim, B. R., Kalis, E. M., DeWulf, T., & 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).
  • 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).
  • Mackay, D., Shiu, W. Y., & 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., & 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., Brennan, R. A., & Speece, R. E.: Predicting Henry’s law constant and the effect of temperature on Henry’s law constant, Wat. Res., 31, 1471–1481, doi:10.1016/S0043-1354(96)00395-8 (1997).
  • Park, J. H., Hussam, A., Couasnon, P., Fritz, D., & Carr, P. W.: Experimental reexamination of selected partition coefficients from Rohrschneider’s data set, Anal. Chem., 59, 1970–1976, doi:10.1021/AC00142A016 (1987).
  • Rathbun, R. E. & Tai, D. Y.: Volatilization of ketones from water, Water Air Soil Pollut., 17, 281–293, doi:10.1007/BF00283158 (1982).
  • Rohrschneider, L.: Solvent characterization by gas-liquid partition coefficients of selected solutes, Anal. Chem., 45, 1241–1247, doi:10.1021/AC60329A023 (1973).
  • 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).
  • Sato, A. & Nakajima, T.: Partition coefficients of some aromatic hydrocarbons and ketones in water, blood and oil, Br. J. Ind. Med., 36, 231–234, doi:10.1136/OEM.36.3.231 (1979a).
  • 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).
  • Staudinger, J. & Roberts, P. V.: A critical review of Henry’s law constants for environmental applications, Crit. Rev. Environ. Sci. Technol., 26, 205–297, doi:10.1080/10643389609388492 (1996).
  • Staudinger, J. & Roberts, P. V.: A critical compilation of Henry’s law constant temperature dependence relations for organic compounds in dilute aqueous solutions, Chemosphere, 44, 561–576, doi:10.1016/S0045-6535(00)00505-1 (2001).
  • Straver, E. J. M. & de Loos, T. W.: Determination of Henry’s law constants and activity coefficients at infinite dilution of flavor compounds in water at 298 K with a gas-chromatographic method, J. Chem. Eng. Data, 50, 1171–1176, doi:10.1021/JE0495942 (2005).
  • Strekowski, R. S. & George, C.: Measurement of Henry’s law constants for acetone, 2-butanone, 2,3-butanedione and isobutyraldehyde using a horizontal flow reactor, J. Chem. Eng. Data, 50, 804–810, doi:10.1021/JE034137R (2005).
  • Vitenberg, A. G., Ioffe, B. V., & Borisov, V. N.: Application of phase equilibria to gas chromatographic trace analysis, Chromatographia, 7, 610–619, doi:10.1007/BF02269053 (1974).
  • Vitenberg, A. G., Ioffe, B. V., Dimitrova, Z. S., & Butaeva, I. L.: Determination of gas-liquid partition coefficients by means of gas chromatographic analysis, J. Chromatogr., 112, 319–327, doi:10.1016/S0021-9673(00)99964-3 (1975).
  • Yaws, C. L., Sheth, S. D., & Han, M.: Using solubility and Henry’s law constant data for ketones in water, Pollut. Eng., 30, 44–46 (1998).
  • Zhou, X. & Mopper, K.: Apparent partition coefficients of 15 carbonyl compounds between air and seawater and between air and freshwater; Implications for air-sea exchange, Environ. Sci. Technol., 24, 1864–1869, doi:10.1021/ES00082A013 (1990).

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

7) Several references are given in the list of Henry's law constants but not assigned to specific species.
19) Value at T = 310 K.
23) Value at T = 303 K.
31) Value at T = 295 K.
89) Measured at high temperature and extrapolated to T = 298.15 K.
100) Calculated from the solvation enthalpy, using the van 't Hoff equation.
103) The value is most probably taken from the report by Howe et al. (1987).
116) Value given here as quoted by Staudinger and Roberts (1996).
123) It was found that Hs changes with the concentration of the solution.
130) Values for salt solutions are also available from this reference.
188) Data from Table 1 by Zhou and Mopper (1990) were used to redo the regression analysis. The data for acetone in their Table 2 are incorrect.
196) Calculated under the assumption that ∆G and ∆H are based on [mol/l] and [atm] as the standard states.

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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