2,4,5,7-Tetramethyl-4,5-bis(4-tert-butylphenyl)octane
- Formula: C32H50
- Molecular weight: 434.7394
- IUPAC Standard InChI: InChI=1S/C32H50/c1-23(2)21-31(11,27-17-13-25(14-18-27)29(5,6)7)32(12,22-24(3)4)28-19-15-26(16-20-28)30(8,9)10/h13-20,23-24H,21-22H2,1-12H3
- IUPAC Standard InChIKey: MFHJPQMOWKNBEO-UHFFFAOYSA-N
- CAS Registry Number: 85668-75-3
- Chemical structure:
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Gas phase thermochemistry data
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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 | -60.6 ± 1.3 | kcal/mol | Ccb | Kratt, Beckhaus, et al., 1983 | ΔHfussion = 9.0±0.1 kcal/mol at 120°C, see Beckhaus, 1983 |
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.
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]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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