2,3,6-Trimethylbenzoic acid
- Formula: C10H12O2
- Molecular weight: 164.2011
- IUPAC Standard InChI: InChI=1S/C10H12O2/c1-6-4-5-7(2)9(8(6)3)10(11)12/h4-5H,1-3H3,(H,11,12)
- IUPAC Standard InChIKey: JRUKSSBDIZXQDX-UHFFFAOYSA-N
- CAS Registry Number: 2529-36-4
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -88.72 ± 0.45 | kcal/mol | Cm | Colomina, Jimenez, et al., 1987 | see Colomina, Turrion, et al., 1964 and Colomina, Perez-Ossorio, et al., 1960 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -113.7 ± 0.45 | kcal/mol | Cm | Colomina, Jimenez, et al., 1987 | see Colomina, Turrion, et al., 1964 and Colomina, Perez-Ossorio, et al., 1960 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1236.74 ± 0.20 | kcal/mol | Cm | Colomina, Jimenez, et al., 1987 | see Colomina, Turrion, et al., 1964 and Colomina, Perez-Ossorio, et al., 1960; Corresponding ΔfHºsolid = -113.66 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase 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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 1402. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas Chromatography, 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., 1987
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C.,
Thermochemical properties of benzoic acid derivatives. XV. Vapour pressures and enthalpies of sublimation and formation of the six trimethylbenzoic acids,
J. Chem. Thermodyn., 1987, 19, 1139-1144. [all data]
Colomina, Turrion, et al., 1964
Colomina, M.; Turrion, C.; Boned, M.L.; Panea, M.,
Investigaciones termoquimicas sobre los acidos alquilbenzoicos. III. Acidos trimetilbenzoicos,
Anal. Fisc. Quim. B, 1964, 60, 619-626. [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]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas 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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