DL-3,4-Di(1-cyclohexen-1-yl)-2,2,5,5-tetramethylhexane
- Formula: C22H38
- Molecular weight: 302.5371
- IUPAC Standard InChI: InChI=1S/C22H38/c1-21(2,3)19(17-13-9-7-10-14-17)20(22(4,5)6)18-15-11-8-12-16-18/h13,15,19-20H,7-12,14,16H2,1-6H3
- IUPAC Standard InChIKey: XIRWMTOAKDZMDH-UHFFFAOYSA-N
- CAS Registry Number: 69045-73-4
- 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -50.4 | kcal/mol | Semi | Stewart, 2004 | |
| ΔfH°gas | -62.1 ± 1.5 | kcal/mol | Cm | Herberg, Beckhaus, et al., 1993 | homolysis; ALS |
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.
Stewart, 2004
Stewart, J.J.P.,
Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation,
J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6
. [all data]
Herberg, Beckhaus, et al., 1993
Herberg, C.; Beckhaus, H.-D.; Kortvelyesi, T.; Ruchardt, C.,
Thermolabile hydrocarbons. 32. Competing core rearrangement and homolytic decomposition of mego- and DL-3,4-di-cyclohexen-1-yl,2,2,5,5-tetramethylhexane,
Chem. Ber., 1993, 126, 117-127. [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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