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: | C6H5C3H7 |
TRIVIAL NAME:
|
isopropylbenzene; cumene
|
CAS RN: | 98-82-8 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | RWGFKTVRMDUZSP-UHFFFAOYSA-N |
Hcp |
d ln Hcp / d (1/T) |
Reference |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
1.2×10−3 |
3200 |
Staudinger and Roberts 2001 |
L |
|
7.7×10−3 |
|
Mackay and Shiu 1981 |
L |
|
1.4×10−3 |
4900 |
Hiatt 2013 |
M |
|
1.0×10−3 |
2500 |
Kondoh and Nakajima 1997 |
M |
|
8.7×10−4 |
3300 |
Hansen et al. 1993 |
M |
105)
|
9.1×10−4 |
|
Li and Carr 1993 |
M |
|
8.9×10−4 |
|
Li et al. 1993 |
M |
|
1.6×10−3 |
3200 |
Ashworth et al. 1988 |
M |
103)
|
8.9×10−4 |
4700 |
Sanemasa et al. 1982 |
M |
|
5.6×10−4 |
|
Sato and Nakajima 1979a |
M |
19)
|
6.8×10−4 |
|
Mackay et al. 2006a |
V |
|
6.8×10−4 |
|
Shiu and Ma 2000 |
V |
|
6.8×10−4 |
|
Mackay et al. 1992a |
V |
|
6.8×10−4 |
|
Hwang et al. 1992 |
V |
|
6.6×10−4 |
|
Eastcott et al. 1988 |
V |
|
6.7×10−4 |
|
Hine and Mookerjee 1975 |
V |
|
6.8×10−4 |
|
Mackay and Leinonen 1975 |
V |
|
9.4×10−4 |
|
Savary et al. 2014 |
Q |
|
8.6×10−4 |
|
Hilal et al. 2008 |
Q |
|
|
5000 |
Kühne et al. 2005 |
Q |
|
9.2×10−4 |
|
Nirmalakhandan et al. 1997 |
Q |
|
9.2×10−4 |
|
Nirmalakhandan and Speece 1988a |
Q |
|
|
4400 |
Kühne et al. 2005 |
? |
|
6.8×10−4 |
|
Hoff et al. 1993 |
? |
7)
|
6.8×10−4 |
|
Yaws and Yang 1992 |
? |
92)
|
8.8×10−4 |
|
Abraham et al. 1990 |
? |
|
|
|
Fogg and Sangster 2003 |
W |
139)
|
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.
-
Eastcott, L., Shiu, W. Y., and Mackay, D.: Environmentally relevant physical-chemical properties of hydrocarbons: A review of data and development of simple correlations, Oil Chem. Pollut., 4, 191-216, doi:10.1016/S0269-8579(88)80020-0, 1988.
-
Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
-
Hansen, K. C., Zhou, Z., Yaws, C. L., and Aminabhavi, T. M.: Determination of Henry's law constants of organics in dilute aqueous solutions, J. Chem. Eng. Data, 38, 546-550, doi:10.1021/JE00012A017, 1993.
-
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.
-
Hine, J. and Mookerjee, P. K.: The intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions, J. Org. Chem., 40, 292-298, doi:10.1021/JO00891A006, 1975.
-
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.
-
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.
-
Kondoh, H. and Nakajima, T.: Optimization of headspace cryofocus gas chromatography/mass spectrometry for the analysis of 54 volatile organic compounds, and the measurement of their Henry's constants, J. Environ. Chem., 7, 81-89, doi:10.5985/JEC.7.81, 1997.
-
Li, J. and 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.
-
Li, J., Dallas, A. J., Eikens, D. I., Carr, P. W., Bergmann, D. L., Hait, M. J., and Eckert, C. A.: Measurement of large infinite dilution activity coefficients of nonelectrolytes in water by inert gas stripping and gas chromatography, Anal. Chem., 65, 3212-3218, doi:10.1021/AC00070A008, 1993.
-
Mackay, D. and Leinonen, P. J.: Rate of evaporation of low-solubility contaminants from water bodies to atmosphere, Environ. Sci. Technol., 9, 1178-1180, doi:10.1021/ES60111A012, 1975.
-
Mackay, D. and Shiu, W. Y.: A critical review of Henry's law constants for chemicals of environmental interest, J. Phys. Chem. Ref. Data, 10, 1175-1199, doi:10.1063/1.555654, 1981.
-
Mackay, D., Shiu, W. Y., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. I of Monoaromatic Hydrocarbons, Chlorobenzenes, and PCBs , Lewis Publishers, Boca Raton, 1992a.
-
Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. I of Introduction and Hydrocarbons , CRC/Taylor & Francis Group, 2006a.
-
Nirmalakhandan, N. N. and Speece, R. E.: QSAR model for predicting Henry's constant, Environ. Sci. Technol., 22, 1349-1357, doi:10.1021/ES00176A016, 1988a.
-
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.
-
Sanemasa, I., Araki, M., Deguchi, T., and Nagai, H.: Solubility measurements of benzene and the alkylbenzenes in water by making use of solute vapor, Bull. Chem. Soc. Jpn., 55, 1054-1062, doi:10.1246/BCSJ.55.1054, 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.
-
Savary, G., Hucher, N., Petibon, O., and Grisel, M.: Study of interactions between aroma compounds and acacia gum using headspace measurements, Food Hydrocolloids, 37, 1-6, doi:10.1016/J.FOODHYD.2013.10.026, 2014.
-
Shiu, W. Y. and Ma, K.-C.: Temperature dependence of physical-chemical properties of selected chemicals of environmental interest. I. mononuclear and polynuclear aromatic hydrocarbons, J. Phys. Chem. Ref. Data, 29, 41-130, doi:10.1063/1.556055, 2000.
-
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.
-
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.
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. |
92) |
Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species. |
103) |
The value is most probably taken from the report by Howe et al. (1987). |
105) |
The same data were also published in Hansen et al. (1995). |
139) |
Erratum for page 365 of Fogg and Sangster (2003): Data from Kondoh and Nakajima (1997) are cited incorrectly, giving the same values at 308.2 K and 318.2 K, respectively. |
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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