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: | T06 | |
|---|---|---|
| Name: | DI-TERT-BUTYL PEROXIDE | |
| Description: | ||
| Labels: | ||
| CAS: | 110-05-4 | |
| InChi Code: | InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -1184.6 |
experimental value |
| -1197 |
Eq4: Model for organic peroxides (Training set) |