Prana, V.; Rotureau, P.; André, D.; Fayet, G.; Adamo, C. Development of Simple QSPR Models for the Prediction of the Heat of Decomposition of Organic Peroxides. Mol. Inform. 2017, 36, 1700024.
Compound
| ID: | T21 | |
|---|---|---|
| Name: | 1 1-BIS(TERT-AMYLPEROXY)CYCLOHEXANE | |
| Description: | ||
| Labels: | ||
| CAS: | 15667-10-4 | |
| InChi Code: | InChI=1S/C16H32O4/c1-7-14(3,4)17-19-16(12-10-9-11-13-16)20-18-15(5,6)8-2/h7-13H2,1-6H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -1708.9 |
experimental value |
| -1621 |
Eq4: Model for organic peroxides (Training set) |