Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
- Formula: C18H22
- Molecular weight: 238.3673
- IUPAC Standard InChI: InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
- IUPAC Standard InChIKey: HGTUJZTUQFXBIH-UHFFFAOYSA-N
- CAS Registry Number: 1889-67-4
- 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: Dicumene; Bibenzyl, α,α,α',α'-tetramethyl-; α,α'-Dicumyl; Butane, 2,3-dimethyl-2,3-diphenyl-; 2,3-Dimethyl-2,3-diphenylbutane; 2,3-Diphenyl-2,3-dimethylbutane; Dicumyl; 1,2-Diphenyltetramethylethane; Interox CC-DFB; Perkadox 30; 1,1'-[1,1,2,2-Tetramethyl-1,2-ethandiyl]bis[benzene]; 1,1,2,2-Tetramethyl-1,2-diphenylethane; Bicumyl; NSC 34859; 1,1'-(1,1,2,2-tetramethylethylene)dibenzene
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Gas phase thermochemistry data
Go To: Top, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 57. ± 3. | kJ/mol | Ccb | Kratt, Beckhaus, et al., 1983 | ΔHfusion=6.1±0.1 kcal/mol, see Beckhaus, 1983 |
Condensed phase thermochemistry data
Go To: Top, Gas 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 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 | -39.3 ± 3.0 | kJ/mol | Ccb | Kratt, Beckhaus, et al., 1983 | ΔHfusion=6.1±0.1 kcal/mol, see Beckhaus, 1983; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -10188.0 ± 3.0 | kJ/mol | Ccb | Kratt, Beckhaus, et al., 1983 | ΔHfusion=6.1±0.1 kcal/mol, see Beckhaus, 1983; Corresponding ΔfHºsolid = -39.3 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 |
|---|---|---|---|
| 321.1 | 298. | Kratt, Beckhaus, et al., 1983, 2 | Cp given as 0.322 cal/g*K.; DH |
References
Go To: Top, Gas phase thermochemistry data, 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.
Kratt, Beckhaus, et al., 1983
Kratt, G.; Beckhaus, H.D.; Bernlohr, W.; Ruchardt, C.,
Thermolabile kohlenwasserstoffe. XVII. Verbrennungsenthalpie und bildungsenthalpie von zehn sym.-tetraalkyl-1,2-diarylethanen,
Thermochim. Acta, 1983, 62, 279-194. [all data]
Beckhaus, 1983
Beckhaus, H.D.,
Application of force field calculations. IV. Force field for the calculation of the structures and heats of formation of alkylbenzenes and its test of reliability on highly strained diphenylethanes,
Chem. Ber., 1983, 116, 86-96. [all data]
Kratt, Beckhaus, et al., 1983, 2
Kratt, G.; Beckhaus, H.D.; Bernioehr, W.; Ruechardt, C.,
Thermolabile hydrocarbons. XVII. Enthalpies of combustion and formation of ten sym-tetraalkyl-1,2-diarylethanes,
Thermochim. Acta, 1983, 62, 279-294. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, 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°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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