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: | T10 | |
|---|---|---|
| Name: | TERT-AMYL HYDROPEROXIDE | |
| Description: | ||
| Labels: | ||
| CAS: | 3425-61-4 | |
| InChi Code: | InChI=1S/C5H12O2/c1-4-5(2,3)7-6/h6H,4H2,1-3H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -2370.2 |
experimental value |
| -2170 |
Eq4: Model for organic peroxides (Training set) |