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: | T07 | |
|---|---|---|
| Name: | DI-TERT-AMYL PEROXIDE | |
| Description: | ||
| Labels: | ||
| CAS: | 10508-09-5 | |
| InChi Code: | InChI=1S/C10H22O2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -1103.9 |
experimental value |
| -1061 |
Eq4: Model for organic peroxides (Training set) |