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: | CH3COOCH3 |
TRIVIAL NAME:
|
methyl acetate
|
CAS RN: | 79-20-9 |
STRUCTURE
(FROM
NIST):
|
|
InChIKey: | KXKVLQRXCPHEJC-UHFFFAOYSA-N |
Hcp |
d ln Hcp / d (1/T) |
Reference |
Type |
Notes |
[mol/(m3Pa)] |
[K] |
|
|
|
8.1×10−2 |
4900 |
Fenclová et al. 2014 |
M |
|
1.2×10−1 |
7500 |
Hiatt 2013 |
M |
|
6.6×10−2 |
4500 |
Arp and Schmidt 2004 |
M |
|
7.7×10−2 |
5000 |
Kieckbusch and King 1979 |
M |
|
8.6×10−2 |
|
Buttery et al. 1969 |
M |
|
1.1×10−1 |
|
Butler and Ramchandani 1935 |
M |
|
1.1×10−1 |
|
Mackay et al. 2006c |
V |
|
1.1×10−1 |
|
Mackay et al. 1995 |
V |
|
1.1×10−1 |
4800 |
Bagno et al. 1991 |
T |
196)
|
6.4×10−2 |
|
Hilal et al. 2008 |
Q |
|
|
4500 |
Kühne et al. 2005 |
Q |
|
3.9×10−2 |
|
Nirmalakhandan and Speece 1988a |
Q |
|
|
4900 |
Kühne et al. 2005 |
? |
|
8.0×10−2 |
|
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.
-
Arp, H. P. H. and Schmidt, T. C.: Air-water transfer of MTBE, its degradation products, and alternative fuel oxygenates: the role of temperature, Environ. Sci. Technol., 38, 5405-5412, doi:10.1021/ES049286O, 2004.
-
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.
-
Butler, J. A. V. and Ramchandani, C. N.: The solubility of non-electrolytes. Part II. The influence of the polar group on the free energy of hydration of aliphatic compounds, J. Chem. Soc., pp. 952-955, doi:10.1039/JR9350000952, 1935.
-
Buttery, R. G., Ling, L. C., and Guadagni, D. G.: Volatilities of aldehydes, ketones, and esters in dilute water solutions, J. Agric. Food Chem., 17, 385-389, doi:10.1021/JF60162A025, 1969.
-
Fenclová, D., Blahut, A., Vrbka, P., Dohnal, V., and Böhme, A.: Temperature dependence of limiting activity coefficients, Henry's law constants, and related infinite dilution properties of C4-C6 isomeric n-alkyl ethanoates/ethyl n-alkanoates in water. Measurement, critical compilation, correlation, and recommended data, Fluid Phase Equilib., 375, 347-359, doi:10.1016/J.FLUID.2014.05.023, 2014.
-
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.
-
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.
-
Kieckbusch, T. G. and King, C. J.: An improved method of determining vapor liquid equilibria for dilute organics in aqueous solution, J. Chromatogr. Sci., 17, 273-276, doi:10.1093/CHROMSCI/17.5.273, 1979.
-
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. N. and Speece, R. E.: QSAR model for predicting Henry's constant, Environ. Sci. Technol., 22, 1349-1357, doi:10.1021/ES00176A016, 1988a.
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
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.
|
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