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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) → 2-pentanone

FORMULA:C3H7COCH3
CAS RN:107-87-9
STRUCTURE
(FROM NIST):
InChIKey:XNLICIUVMPYHGG-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.6×10−1 5700 Ji and Evans (2007) M
1.0×10−1 4600 Falabella et al. (2006) M 89) 130)
8.6×10−2 Straver and de Loos (2005) M
1.0×10−1 4800 Chai et al. (2005) M 89)
1.1×10−1 Kim et al. (2000) M
1.2×10−1 Shiu and Mackay (1997) M
9.0×10−2 Hawthorne et al. (1985) M
6.4×10−2 Sato and Nakajima (1979a) M 19)
1.7×10−1 Vitenberg et al. (1974) M
1.1×10−1 Vitenberg et al. (1974) M 200)
1.6×10−1 Buttery et al. (1969) M
9.2×10−2 Nelson and Hoff (1968) M 115)
1.5×10−1 Mackay et al. (2006c) V
1.5×10−1 Shiu and Mackay (1997) V
1.5×10−1 Mackay et al. (1995) V
2.6×10−1 Rathbun and Tai (1982) V
3.1×10−1 Amoore and Buttery (1978) V
5900 Della Gatta et al. (1981) T 100)
9.1×10−2 4600 Janini and Quaddora (1986) X 116)
1.7×10−1 Mackay et al. (1995) C
1.0×10−1 Hilal et al. (2008) Q
6200 Kühne et al. (2005) Q
1.2×10−1 Nirmalakhandan et al. (1997) Q
1.6×10−1 Mackay et al. (2006c) ? 7)
6500 Kühne et al. (2005) ?
1.3×10−1 Yaws et al. (1998) ?
1.5×10−1 Abraham et al. (1990) ?
3.1×10−1 Mackay and Yeun (1983) ?

References

  • 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).
  • Amoore, J. E. & Buttery, R. G.: Partition coefficient and comparative olfactometry, Chem. Senses Flavour, 3, 57–71, doi:10.1093/CHEMSE/3.1.57 (1978).
  • 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).
  • 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).
  • 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).
  • 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).
  • 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).
  • 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).
  • 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).
  • 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. & 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., & 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).
  • Nelson, P. E. & 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., & 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).
  • Rathbun, R. E. & Tai, D. Y.: Volatilization of ketones from water, Water Air Soil Pollut., 17, 281–293, doi:10.1007/BF00283158 (1982).
  • 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).
  • Shiu, W.-Y. & Mackay, D.: Henry’s law constants of selected aromatic hydrocarbons, alcohols, and ketones, J. Chem. Eng. Data, 42, 27–30, doi:10.1021/JE960218U (1997).
  • 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).
  • 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).
  • 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).

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.
89) Measured at high temperature and extrapolated to T = 298.15 K.
100) Calculated from the solvation enthalpy, using the van 't Hoff equation.
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.
200) Value at T = 313 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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