2,3,5,6-Tetramethylbenzoic acid
- Formula: C11H14O2
- Molecular weight: 178.2277
- IUPAC Standard InChI: InChI=1S/C11H14O2/c1-6-5-7(2)9(4)10(8(6)3)11(12)13/h5H,1-4H3,(H,12,13)
- IUPAC Standard InChIKey: STIDRZRESMTQBD-UHFFFAOYSA-N
- CAS Registry Number: 2604-45-7
- 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: Benzoic acid, 2,3,5,6-tetramethyl-
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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°solid | -506.2 ± 2.0 | kJ/mol | Cm | Colomina, Jimenez, et al., 1988 | see Colomina, Perez-Ossorio, et al., 1964; see 60COL/PER; ALS |
| ΔfH°solid | -506.1 ± 1.0 | kJ/mol | Ccb | Colomina, Perez-Ossorio, et al., 1960 | crystal phase; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -5823.5 ± 1.0 | kJ/mol | Ccb | Colomina, Perez-Ossorio, et al., 1960 | crystal phase; Corresponding ΔfHºsolid = -505.97 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 231.7 | 298.15 | Colomina, Jimenez, et al., 1988 | 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.
Colomina, Jimenez, et al., 1988
Colomina, M.; Jimenez, P.; Perez-Ossorio, R.; Roux, M.V.; Turrion, C.,
Thermochemical properties of benzoic acid derivatives. XVI. Vapour pressures and enthalpies of sublimation and formation of the three tetramethylbenzoic acids and of pentamenthylbenzoic acid,
J. Chem. Thermodyn., 1988, 20, 575-580. [all data]
Colomina, Perez-Ossorio, et al., 1964
Colomina, M.; Perez-Ossorio, R.; Turrion, C.; Boned, M.L.; Pedraja, B.,
Investigaciones termoquimicas sobre los acidos alquilbenzoicos,
Anal. Fisc. Quim. B, 1964, 60, 627-638. [all data]
Colomina, Perez-Ossorio, et al., 1960
Colomina, M.; Perez-Ossorio, R.; Boned, M.L.; Panea, M.; Turrion, C.,
Thermochemical investigations on methylsubstituted benzoic acid, Rpt. for the US. Dept. of the Army, European Research Office contract no. DA-91-591-EUC-1364-OI-4291-60 by Instituto de Quimica Fisica Madrid, Spain, 1960, 1-38. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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