Benzene, 1,2,4,5-tetramethyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChI: InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3
- IUPAC Standard InChIKey: SQNZJJAZBFDUTD-UHFFFAOYSA-N
- CAS Registry Number: 95-93-2
- 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: Durene; Durol; 1,2,4,5-Tetramethylbenzene; p-Xylene, 2,5-dimethyl-
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Gas 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -11.3 ± 0.45 | kcal/mol | Ccb | Colomina, Jimenez, et al., 1989 | see Boned, Colomina, et al., 1964; ALS |
| ΔfH°gas | -11.21 ± 0.43 | kcal/mol | Ccb | Draeger, 1985 | Unpublished measurments of W.D.Good; ALS |
| ΔfH°gas | -10.8 | kcal/mol | N/A | Good, 1975 | Value computed using ΔfHsolid° value of -119.9±1.3 kj/mol from Good, 1975 and ΔsubH° value of 74.6 kj/mol from Colomina, Jimenez, et al., 1989.; DRB |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 33.27 | 200. | Draeger, 1985 | There is an appreciable difference between values of S(T) and Cp(T) for tetra-, penta-, and hexamethylbenzene from earlier statistical thermodynamics calculation [ Hastings S.H., 1957] and those obtained by [ Draeger, 1985] (up to 5, 9, and 16 J/mol*K, respectively). Results [ Draeger, 1985] are more reliable and they agree with experimental data for hexamethylbenzene.; GT |
| 41.01 | 273.15 | ||
| 43.76 ± 0.1 | 298.15 | ||
| 43.98 | 300. | ||
| 55.14 | 400. | ||
| 65.46 | 500. | ||
| 74.43 | 600. | ||
| 82.03 | 700. | ||
| 88.53 | 800. | ||
| 94.10 | 900. | ||
| 98.88 | 1000. | ||
| 103.0 | 1100. | ||
| 106.5 | 1200. | ||
| 109.5 | 1300. | ||
| 112.2 | 1400. | ||
| 114.4 | 1500. |
References
Go To: Top, Gas 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., 1989
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C.,
Thermochemical properties of 1,2,4,5-tetramethylbenzene, pentamethylbenzene, and hexamethylbenzene,
J. Chem. Thermodyn., 1989, 21, 275-281. [all data]
Boned, Colomina, et al., 1964
Boned, M.L.; Colomina, M.; Perez-Ossorio, R.; Turrion, C.,
Investigaciones termoquimicas sobre los polimetilbencenos superiores,
Anal. Fisc. Quim. B, 1964, 60, 459-468. [all data]
Draeger, 1985
Draeger, J.A.,
The methylbenzenes II. Fundamental vibrational shifts, statistical thermodynamic functions, and properties of formation,
J. Chem. Thermodyn., 1985, 17, 263-275. [all data]
Good, 1975
Good, W.D.,
The standard enthalpies of combustion and formation of n-butylbenzene, the dimethylethylbenzenes, and the tetramethylbenzenes in the condensed state,
J. Chem. Thermodyn., 1975, 7, 49-59. [all data]
Hastings S.H., 1957
Hastings S.H.,
Thermodynamic properties of selected methylbenzenes from 0 to 1000 K,
J. Phys. Chem., 1957, 61, 730-735. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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