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: | T01 | |
|---|---|---|
| Name: | DIBENZOYL PEROXIDE | |
| Description: | ||
| Labels: | ||
| CAS: | 94-36-0 | |
| InChi Code: | InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -1572.6 |
experimental value |
| -1616 |
Eq4: Model for organic peroxides (Training set) |