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
|
FORMULA: | (CH3)2CHCH2COCH3 |
TRIVIAL NAME:
|
methyl isobutyl ketone; MIBK
|
CAS RN: | 108-10-1 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | NTIZESTWPVYFNL-UHFFFAOYSA-N |
Hcp |
d ln Hcp / d (1/T) |
Reference |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
3.9×10−2 |
|
Kim and Kim 2014 |
M |
|
1.0×10−1 |
8700 |
Hiatt 2013 |
M |
|
3.9×10−2 |
|
Kim et al. 2000 |
M |
|
4.3×10−2 |
4600 |
Kolb et al. 1992 |
M |
102)
|
2.2×10−2 |
160 |
Ashworth et al. 1988 |
M |
103)
|
6.5×10−2 |
|
Hellmann 1987 |
M |
31)
|
3.1×10−2 |
|
Sato and Nakajima 1979a |
M |
19)
|
7.0×10−2 |
|
HSDB 2015 |
V |
|
6.5×10−2 |
|
Mackay et al. 2006c |
V |
|
6.5×10−2 |
|
Mackay et al. 1995 |
V |
|
7.2×10−2 |
|
Hwang et al. 1992 |
V |
|
1.4×10−1 |
|
Rathbun and Tai 1982 |
V |
|
7.1×10−2 |
|
Cabani et al. 1981 |
V |
|
1.1×10−1 |
|
Howard 1990 |
X |
164)
|
8.8×10−2 |
|
Hilal et al. 2008 |
Q |
|
|
6600 |
Kühne et al. 2005 |
Q |
|
7.9×10−2 |
|
Nirmalakhandan et al. 1997 |
Q |
|
|
5700 |
Kühne et al. 2005 |
? |
|
7.2×10−2 |
|
Yaws et al. 1998 |
? |
|
3.0×10−1 |
|
Betterton 1991 |
? |
|
7.0×10−2 |
|
Abraham et al. 1990 |
? |
|
References
-
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.
-
Ashworth, R. A., Howe, G. B., Mullins, M. E., and 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.
-
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.
-
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.
-
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.
-
Hiatt, M. H.: Determination of Henry's law constants using internal standards with benchmark values, J. Chem. Eng. Data, 58, 902-908, doi:10.1021/JE3010535, 2013.
-
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.
-
Howard, P. H.: Handbook of Environmental fate and exposure data for organic chemicals. Vol. II: Solvents, Lewis Publishers Inc. Chelsea, Michigan, 1990.
-
HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
-
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.
-
Kim, Y.-H. and 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., and 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.
-
Kolb, B., Welter, C., and Bichler, C.: Determination of partition coefficients by automatic equilibrium headspace gas chromatography by vapor phase calibration, Chromatographia, 34, 235-240, doi:10.1007/BF02268351, 1992.
-
Mackay, D., Shiu, W. Y., and 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., 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.
-
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.
-
Rathbun, R. E. and Tai, D. Y.: Volatilization of ketones from water, Water Air Soil Pollut., 17, 281-293, doi:10.1007/BF00283158, 1982.
-
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.
-
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.
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
19) |
Value at T = 310 K. |
31) |
Value at T = 295 K. |
102) |
Extrapolated from data measured between 40 °C and 80 °C. |
103) |
The value is most probably taken from the report by Howe et al. (1987). |
164) |
Value given here as quoted by Mackay et al. (1995). |
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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