Acetic acid, trifluoro-, 2,2-dimethylpropyl ester
- Formula: C7H11F3O2
- Molecular weight: 184.1562
- IUPAC Standard InChI: InChI=1S/C7H11F3O2/c1-6(2,3)4-12-5(11)7(8,9)10/h4H2,1-3H3
- IUPAC Standard InChIKey: FWFLFZDXCNIPGS-UHFFFAOYSA-N
- CAS Registry Number: 7556-79-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Trifluoroacetic acid, 2,2-dimethylpropyl ester
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Reaction thermochemistry data
Go To: Top, Mass spectrum (electron ionization), References, Notes
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
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By formula: C4F6O3 + C5H12O = C7H11F3O2 + C2HF3O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -21.16 ± 0.02 | kcal/mol | Cm | Wiberg and Hao, 1991 | liquid phase; Trifuoroacetolysis |
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By formula: C5H10 + C2HF3O2 = C7H11F3O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -10.93 ± 0.04 | kcal/mol | Cm | Wiberg and Hao, 1991 | liquid phase; Trifuoroacetolysis |
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By formula: C5H10 + C2HF3O2 = C7H11F3O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -9.11 ± 0.04 | kcal/mol | Cm | Wiberg and Hao, 1991 | liquid phase; Trifluoroacetolysis |
Mass spectrum (electron ionization)
Go To: Top, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 2010 |
| NIST MS number | 417300 |
References
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg and Hao, 1991
Wiberg, K.B.; Hao, S.,
Enthalpies of hydration of alkenes. 4. Formation of acyclic tert-alcohols,
J. Org. Chem., 1991, 56, 5108-5110. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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