Benzene, (trifluoromethyl)-
- Formula: C7H5F3
- Molecular weight: 146.1098
- IUPAC Standard InChI: InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
- IUPAC Standard InChIKey: GETTZEONDQJALK-UHFFFAOYSA-N
- CAS Registry Number: 98-08-8
- 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: Toluene, α,α,α-trifluoro-; α,α,α-Trifluorotoluene; (Trifluoromethyl)benzene; Benzenyl fluoride; Benzotrifluoride; Benzylidyne fluoride; Phenylfluoroform; USAF MA-16; UN 2338; alpha,alpha,alpha-Trifluorotoluene; NSC 8038; Trifluoro(phenyl)methane
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Condensed phase thermochemistry data
Go To: Top, References, Notes
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -620.45 | kJ/mol | Ccr | Good, Lacina, et al., 1964 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -3369.3 ± 0.50 | kJ/mol | Ccr | Good, Lacina, et al., 1964 | ALS |
| ΔcH°liquid | -3390.5 | kJ/mol | Ccb | Swarts, 1919 | Not corrected for CODATA value of ΔfH; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 271.50 | J/mol*K | N/A | Scott, Douslin, et al., 1959 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 188.45 | 298.15 | Scott, Douslin, et al., 1959 | T = 12 to 365 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Good, Lacina, et al., 1964
Good, W.D.; Lacina, J.L.; DePrater, B.L.; McCullough, J.P.,
A new approach to the combustion calorimetry of silicon and organosilicon compounds. Heats of formation of quartz, fluorosilicic acid, and hexamethyldisiloxane,
J. Phys. Chem., 1964, 68, 579-586. [all data]
Swarts, 1919
Swarts, F.,
Etudes thermochimiques sur les combinaisons organiques fluorees,
J. Chim. Phys., 1919, 17, 3-70. [all data]
Scott, Douslin, et al., 1959
Scott, D.W.; Douslin, D.R.; Messerly, J.F.; Todd, S.S.; Hossenlopp, I.A.; Kincheloe, T.C.; McCullough, J.P.,
Benzotrifluoride: chemical thermodynamic properties and internal rotation,
J. Am. Chem. Soc., 1959, 81, 1015-1017. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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