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 |
CAS RN: | 103-65-1 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | ODLMAHJVESYWTB-UHFFFAOYSA-N |
Hcp |
d ln Hcp / d (1/T) |
Reference |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
1.4×10−3 |
|
Mackay and Shiu 1981 |
L |
|
1.9×10−3 |
4500 |
Hiatt 2013 |
M |
|
1.5×10−3 |
|
Karl et al. 2003 |
M |
31)
|
1.1×10−3 |
2600 |
Kondoh and Nakajima 1997 |
M |
|
8.6×10−4 |
5400 |
Perlinger et al. 1993 |
M |
|
9.3×10−4 |
|
Li and Carr 1993 |
M |
|
9.1×10−4 |
|
Li et al. 1993 |
M |
|
9.0×10−4 |
3700 |
Ashworth et al. 1988 |
M |
103)
|
9.5×10−4 |
4700 |
Sanemasa et al. 1982 |
M |
|
5.0×10−4 |
|
Sato and Nakajima 1979a |
M |
19)
|
9.6×10−4 |
|
Mackay et al. 2006a |
V |
|
9.6×10−4 |
|
Shiu and Ma 2000 |
V |
|
9.6×10−4 |
|
Mackay et al. 1992a |
V |
|
9.7×10−4 |
|
Eastcott et al. 1988 |
V |
|
9.7×10−4 |
5300 |
Abraham 1984 |
V |
|
1.5×10−3 |
5500 |
Ben-Naim and Wilf 1980 |
V |
|
9.9×10−4 |
|
Hine and Mookerjee 1975 |
V |
|
|
5300 |
Gill et al. 1976 |
T |
100)
|
9.9×10−4 |
|
Hilal et al. 2008 |
Q |
|
|
5000 |
Kühne et al. 2005 |
Q |
|
1.1×10−3 |
|
Nirmalakhandan and Speece 1988a |
Q |
|
|
4700 |
Kühne et al. 2005 |
? |
|
9.6×10−4 |
|
Yaws and Yang 1992 |
? |
92)
|
9.7×10−4 |
|
Abraham et al. 1990 |
? |
|
References
-
Abraham, M. H.: Thermodynamics of solution of homologous series of solutes in water, J. Chem. Soc. Faraday Trans. 1, 80, 153-181, doi:10.1039/F19848000153, 1984.
-
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.
-
Ben-Naim, A. and Wilf, J.: Solubilities and hydrophobic interactions in aqueous solutions of monoalkylbenzene molecules, J. Phys. Chem., 84, 583-586, doi:10.1021/J100443A004, 1980.
-
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.
-
Gill, S. J., Nichols, N. F., and Wadsö, I.: Calorimetric determination of enthalpies of solution of slightly soluble liquids II. Enthalpy of solution of some hydrocarbons in water and their use in establishing the temperature dependence of their solubilities, J. Chem. Thermodyn., 8, 445-452, doi:10.1016/0021-9614(76)90065-3, 1976.
-
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.
-
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.
-
Karl, T., Yeretzian, C., Jordan, A., and 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.
-
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 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.
-
Perlinger, J. A., Eisenreich, S. J., and Capel, P. D.: Application of headspace analysis to the study of sorption of hydrophobic organic chemicals to α−Al2O3, Environ. Sci. Technol., 27, 928-937, doi:10.1021/ES00042A016, 1993.
-
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.
-
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.
-
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
19) |
Value at T = 310 K. |
31) |
Value at T = 295 K. |
92) |
Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species. |
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). |
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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