Benzene, 1,2,3,4-tetramethyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChI: InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3
- IUPAC Standard InChIKey: UOHMMEJUHBCKEE-UHFFFAOYSA-N
- CAS Registry Number: 488-23-3
- 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: Prehnitene; Prehnitol; 1,2,3,4-Tetramethylbenzene
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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| ΔfH°gas | -8.61 ± 0.34 | kcal/mol | Ccb | Draeger, 1985 | Unpublished measurement of W.D.Good; ALS |
| ΔfH°gas | -8.99 ± 0.29 | kcal/mol | N/A | Good, 1975 | Value computed using ΔfHliquid° value of -90.2±1.2 kj/mol from Good, 1975 and ΔvapH° value of 52.6±0.17 kj/mol from missing citation.; DRB |
| ΔfH°gas | -10.5 ± 0.72 | kcal/mol | N/A | Prosen, Johnson, et al., 1946 | Value computed using ΔfHliquid° value of -96.4±3 kj/mol from Prosen, Johnson, et al., 1946 and ΔvapH° value of 52.6±0.17 kj/mol from missing citation.; DRB |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 33.60 | 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 |
| 41.68 | 273.15 | ||
| 44.48 ± 0.1 | 298.15 | ||
| 44.69 | 300. | ||
| 55.83 | 400. | ||
| 66.04 | 500. | ||
| 74.86 | 600. | ||
| 82.39 | 700. | ||
| 88.81 | 800. | ||
| 94.31 | 900. | ||
| 99.04 | 1000. | ||
| 103.1 | 1100. | ||
| 106.6 | 1200. | ||
| 109.7 | 1300. | ||
| 112.3 | 1400. | ||
| 114.5 | 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.
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]
Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heats of combustion and formation at 25°C of the alkylbenzenes through C10H14, and of the higher normal monoalkylbenzenes,
J. Res. NBS, 1946, 36, 455-461. [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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