Acetic acid, trifluoro-, cyclohexyl ester
- Formula: C8H11F3O2
- Molecular weight: 196.1669
- IUPAC Standard InChI: InChI=1S/C8H11F3O2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h6H,1-5H2
- IUPAC Standard InChIKey: MJNDVDVTLSBDLB-UHFFFAOYSA-N
- CAS Registry Number: 1549-45-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Trifluoroacetic acid, cyclohexyl ester
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Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 43. | 360. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 345. to 420. K. See also Sheehan and Langer, 1969 and Dykyj, Svoboda, et al., 1999.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference |
|---|---|---|---|---|
| 345. to 420.1 | 4.8594 | 1905.8 | -28.3 | Sheehan and Langer, 1969 |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+
=
By formula: C6H10 + C2HF3O2 = C8H11F3O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -43.3 ± 0.1 | kJ/mol | Cac | Wiberg, Wasserman, et al., 1985 | liquid phase; solvent: Trifluoroacetic acid; Triflouroacetolysis |
+
=
+
By formula: C6H12O + C4F6O3 = C8H11F3O2 + C2HF3O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -90.06 ± 0.15 | kJ/mol | Cac | Wiberg, Wasserman, et al., 1985 | liquid phase; Trifluoroacetolysis |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Sheehan and Langer, 1969
Sheehan, Richard J.; Langer, Stanley H.,
Vapor pressures of fluorine- and silicon-containing derivatives of some hydroxylic compounds,
J. Chem. Eng. Data, 1969, 14, 2, 248-250, https://doi.org/10.1021/je60041a011
. [all data]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]
Wiberg, Wasserman, et al., 1985
Wiberg, K.B.; Wasserman, D.J.; Martin, E.J.; Murcko, M.A.,
Enthalpies of hydration of alkenes. 3. Cycloalkenes,
J. Am. Chem. Soc., 1985, 107, 6019-6022. [all data]
Notes
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- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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