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: | C6H5SH |
TRIVIAL NAME:
|
thiophenol
|
CAS RN: | 108-98-5 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | RMVRSNDYEFQCLF-UHFFFAOYSA-N |
Hcp |
d ln Hcp / d (1/T) |
Reference |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
2.9×10−2 |
|
HSDB 2015 |
V |
|
3.0×10−2 |
|
Hine and Mookerjee 1975 |
V |
|
3.0×10−2 |
|
Hine and Weimar 1965 |
V |
|
3.0×10−2 |
|
Schüürmann 2000 |
C |
7)
|
4.1×10−2 |
|
Hilal et al. 2008 |
Q |
|
1.0×10−2 |
|
Nirmalakhandan et al. 1997 |
Q |
|
3.0×10−2 |
|
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.
-
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.
-
Hine, J. and Weimar, Jr., R. D.: Carbon basicity, J. Am. Chem. Soc., 87, 3387-3396, doi:10.1021/JA01093A018, 1965.
-
HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
-
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.
-
Schüürmann, G.: Prediction of Henry's law constant of benzene derivatives using quantum chemical continuum-solvation models, J. Comput. Chem., 21, 17-34, doi:10.1002/(SICI)1096-987X(20000115)21:1<17::AID-JCC3>3.0.CO;2-5, 2000.
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. |
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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