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: | C6H5COCH3 |
TRIVIAL NAME:
|
acetophenone
|
CAS RN: | 98-86-2 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
Hcp |
d ln Hcp / d (1/T) |
Reference |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
1.1 |
7700 |
Staudinger and Roberts 2001 |
L |
|
9.7×10−1 |
6800 |
Hiatt 2013 |
M |
|
9.7×10−1 |
12000 |
Allen et al. 1998 |
M |
|
9.3×10−1 |
|
Shiu and Mackay 1997 |
M |
|
1.1 |
6000 |
Betterton 1991 |
M |
|
1.0 |
|
Mackay et al. 2006c |
V |
|
1.0 |
|
Shiu and Mackay 1997 |
V |
|
1.0 |
|
Mackay et al. 1995 |
V |
|
9.2×10−1 |
|
Hine and Mookerjee 1975 |
V |
|
9.5×10−1 |
6400 |
Bagno et al. 1991 |
T |
196)
|
9.3×10−1 |
|
Schüürmann 2000 |
C |
7)
|
1.1 |
|
Hilal et al. 2008 |
Q |
|
|
6100 |
Kühne et al. 2005 |
Q |
|
5.3×10−1 |
|
Nirmalakhandan et al. 1997 |
Q |
|
|
6700 |
Kühne et al. 2005 |
? |
|
9.2×10−1 |
|
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.
-
Allen, J. M., Balcavage, W. X., Ramachandran, B. R., and Shrout, A. L.: Determination of Henry's Law constants by equilibrium partitioning in a closed system using a new in situ optical absorbance method, Environ. Toxicol. Chem., 17, 1216-1221, doi:10.1002/ETC.5620170704, 1998.
-
Bagno, A., Lucchini, V., and Scorrano, G.: Thermodynamics of protonation of ketones and esters and energies of hydration of their conjugate acids, J. Phys. Chem., 95, 345-352, doi:10.1021/J100154A063, 1991.
-
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.
-
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.
-
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.
-
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.
-
Shiu, W.-Y. and Mackay, D.: Henry's law constants of selected aromatic hydrocarbons, alcohols, and ketones, J. Chem. Eng. Data, 42, 27-30, doi:10.1021/JE960218U, 1997.
-
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.
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. |
196) |
Calculated under the assumption that ∆G and ∆H are based on [mol/l] and [atm] as the standard states. |
The numbers of the notes are the same as
in Sander (2015). References cited in the notes can be
found here.
|
* * *
Search Henry's Law Database
* * *
Convert Henry's Law Constants
* * *
|