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: | T15 | |
|---|---|---|
| Name: | TERT-BUTYL PEROXY ISOPROPYL CARBONATE | |
| Description: | ||
| Labels: | ||
| CAS: | 2372-21-6 | |
| InChi Code: | InChI=1S/C8H16O4/c1-6(2)11-12-7(9)10-8(3,4)5/h6H,1-5H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -1499.2 |
experimental value |
| -1565 |
Eq4: Model for organic peroxides (Training set) |