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: | CF3CH2OH |
|
CAS RN: | 75-89-8 |
STRUCTURE
(FROM
NIST):
|
|
|
InChIKey: | RHQDFWAXVIIEBN-UHFFFAOYSA-N |
| Hcp |
d ln Hcp / d (1/T) |
Reference |
Type |
Notes |
| [mol/(m3Pa)] |
[K] |
|
|
|
| 4.7×10−1 |
6200 |
Sander et al. 2011 |
L |
|
| 4.7×10−1 |
6200 |
Chen et al. 2003 |
M |
|
| 5.8×10−1 |
5900 |
Rochester and Symonds 1973 |
M |
|
| 3.5×10−1 |
|
Zhang et al. 2010 |
Q |
107)
108)
|
| 2.4×10−1 |
|
Zhang et al. 2010 |
Q |
107)
109)
|
| 3.8 |
|
Zhang et al. 2010 |
Q |
107)
110)
|
| 4.7×10−2 |
|
Zhang et al. 2010 |
Q |
107)
111)
|
| 6.1×10−1 |
|
Hilal et al. 2008 |
Q |
|
|
6500 |
Kühne et al. 2005 |
Q |
|
| 5.0×10−1 |
|
Nirmalakhandan and Speece 1988a |
Q |
|
|
5600 |
Kühne et al. 2005 |
? |
|
| 5.7×10−1 |
|
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.
-
Chen, L., Takenaka, N., Bandow, H., and Maeda, Y.: Henry's law constants for C2-C3 fluorinated alcohols and their wet deposition in the atmosphere, Atmos. Environ., 37, 4817-4822, doi:10.1016/J.ATMOSENV.2003.08.002, 2003.
-
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.
-
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.
-
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.
-
Rochester, H. and Symonds, J. R.: Thermodynamic studies of fluoroalcohols. Part 3. - The thermodynamics of transfer of five fluoroalcohols from the gas-phase to aqueous solution, J. Chem. Soc. Faraday Trans. 1, 69, 1577-1585, doi:10.1039/F19736901577, 1973.
-
Sander, S. P., Abbatt, J., Barker, J. R., Burkholder, J. B., Friedl, R. R., Golden, D. M., Huie, R. E., Kolb, C. E., Kurylo, M. J., Moortgat, G. K., Orkin, V. L., and Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, http://jpldataeval.jpl.nasa.gov, 2011.
-
Zhang, X., Brown, T. N., Wania, F., Heimstad, E. S., and Goss, K.-U.: Assessment of chemical screening outcomes based on different partitioning property estimation methods, Environ. Int., 36, 514-520, doi:10.1016/J.ENVINT.2010.03.010, 2010.
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
| 107) |
Data taken from the supplement. |
| 108) |
Calculated using the EPI Suite (v4.0) method. |
| 109) |
Calculated using the SPARC (v4.2) method. |
| 110) |
Calculated using the COSMOtherm (v2.1) method. |
| 111) |
Calculated using the ABSOLV (ADMEBoxes v4.1) method. |
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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