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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)Ketones (RCOR) → propanone

FORMULA:CH3COCH3
TRIVIAL NAME: acetone
CAS RN:67-64-1
STRUCTURE
(FROM NIST):
InChIKey:CSCPPACGZOOCGX-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.7×10−1 5500 Sander et al. 2011 L
3.3×10−1 5300 Poulain et al. 2010 L
2.8×10−1 5100 Sander et al. 2006 L
2.6×10−1 5700 Fogg and Sangster 2003 L
2.8×10−1 4800 Staudinger and Roberts 2001 L
3.0×10−1 4600 Staudinger and Roberts 1996 L
2.9×10−1 5100 Poulain et al. 2010 M
2.6×10−1 5400 Ji and Evans 2007 M
2.4×10−1 4200 Falabella et al. 2006 M 89) 130)
2.6×10−1 6400 Strekowski and George 2005 M
2.4×10−1 Straver and de Loos 2005 M
2.4×10−1 4300 Chai et al. 2005 M 89)
1.0×10−1 Ayuttaya et al. 2001 M 131)
9.4×10−4 Ayuttaya et al. 2001 M 132)
5.3×10−1 Ayuttaya et al. 2001 M 133)
2.7×10−1 5300 Benkelberg et al. 1995 M
2.7×10−1 Hoff et al. 1993 M
3.2×10−1 5800 Betterton 1991 M
3.5×10−1 3800 Zhou and Mopper 1990 M 188)
1.2×10−1 Guitart et al. 1989 M 19)
1.4×10−1 Hellmann 1987 M 31)
2.5×10−1 4800 Snider and Dawson 1985 M
3.2×10−1 5400 Schoene and Steinhanses 1985 M
1.5×10−1 Sato and Nakajima 1979a M 19)
2.5×10−1 Vitenberg et al. 1975 M
2.5×10−1 Vitenberg et al. 1974 M
3.2×10−1 Vitenberg et al. 1974 M
2.5×10−1 Buttery et al. 1969 M
3.1×10−1 Nelson and Hoff 1968 M 115)
2.8×10−1 Burnett 1963 M
1.8×10−2 Abraham and Acree 2007 V
2.6×10−1 Hwang et al. 1992 V
2.4×10−1 Rathbun and Tai 1982 V
3.1×10−2 Hine and Weimar 1965 R
3.0×10−1 Butler and Ramchandani 1935 R
2.5×10−1 4900 Bagno et al. 1991 T 196)
2.2×10−1 5000 Schaffer and Daubert 1969 X 116)
3.0×10−2 3300 Janini and Quaddora 1986 X 116)
3.0×10−1 Gaffney and Senum 1984 X 153)
2.7×10−1 Cabani et al. 1981 C
1.4×10−1 Hilal et al. 2008 Q
5500 Kühne et al. 2005 Q
2.1×10−1 Nirmalakhandan et al. 1997 Q
2.5×10−1 Taft et al. 1985 Q
2.5×10−1 Mackay et al. 2006c ? 7)
5100 Kühne et al. 2005 ?
1.8×10−1 Yaws et al. 1998 ?
2.3×10−1 Yaws and Yang 1992 ? 92)
2.5×10−1 Abraham et al. 1990 ?

References

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  • 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.
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  • Butler, J. A. V. and Ramchandani, C. N.: The solubility of non-electrolytes. Part II. The influence of the polar group on the free energy of hydration of aliphatic compounds, J. Chem. Soc., pp. 952-955, doi:10.1039/JR9350000952, 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.
  • Cabani, S., Gianni, P., Mollica, V., and 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., and 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.
  • 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.
  • 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.
  • Guitart, R., Puigdemont, F., and Arboix, M.: Rapid headspace gas chromatographic method for the determination of liquid/gas partition coefficients, J. Chromatogr., 491, 271-280, doi:10.1016/S0378-4347(00)82845-5, 1989.
  • 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., 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 Weimar, Jr., R. D.: Carbon basicity, J. Am. Chem. Soc., 87, 3387-3396, doi:10.1021/JA01093A018, 1965.
  • Hoff, J. T., Mackay, D., Gillham, R., and Shiu, W. Y.: Partitioning of organic chemicals at the air-water interface in environmental systems, Environ. Sci. Technol., 27, 2174-2180, doi:10.1021/ES00047A026, 1993.
  • 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.
  • Janini, G. M. and 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. and 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.
  • 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.
  • 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.
  • Nelson, P. E. and Hoff, J. E.: Food volatiles: Gas chromatographic determination of partition coefficients in water-lipid systems, Int. J. Mass Spectrom., 228, 479-482, doi:10.1111/J.1365-2621.1968.TB03659.X, 1968.
  • Nirmalakhandan, N., Brennan, R. A., and 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.
  • Poulain, L., Katrib, Y., Isikli, E., Liu, Y., Wortham, H., Mirabel, P., Le Calvé, S., and Monod, A.: In-cloud multiphase behaviour of acetone in the troposphere: Gas uptake, Henry's law equilibrium and aqueous phase photooxidation, Chemosphere, 81, 312-320, doi:10.1016/J.CHEMOSPHERE.2010.07.032, 2010.
  • Rathbun, R. E. and Tai, D. Y.: Volatilization of ketones from water, Water Air Soil Pollut., 17, 281-293, doi:10.1007/BF00283158, 1982.
  • 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.
  • Sato, A. and 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.
  • 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.
  • Schoene, K. and Steinhanses, J.: Determination of Henry's law constant by automated head space-gas chromatography, Fresenius J. Anal. Chem., 321, 538-543, doi:10.1007/BF00464360, 1985.
  • 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.
  • Staudinger, J. and 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. and 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. and 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. and 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.
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  • 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., Sheth, S. D., and Han, M.: Using solubility and Henry's law constant data for ketones in water, Pollut. Eng., 30, 44-46, 1998.
  • Zhou, X. and 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.
31) Value at T = 295 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.
115) Value at T = 301 K.
116) Value given here as quoted by Staudinger and Roberts (1996).
130) Values for salt solutions are also available from this reference.
131) Value obtained by applying the EPICS method, see Ayuttaya et al. (2001) for details.
132) Value obtained by applying the static cell (linear form) method, see Ayuttaya et al. (2001) for details.
133) Value obtained by applying the direct phase concentration ratio method, see Ayuttaya et al. (2001) for details.
153) Value given here as quoted by Gaffney et al. (1987).
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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