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: | T05 | |
|---|---|---|
| Name: | DI-(2-ETHYLHEXYL) PEROXYDICARBONATE | |
| Description: | ||
| Labels: | ||
| CAS: | 16111-62-9 | |
| InChi Code: | InChI=1S/C18H34O6/c1-5-9-11-15(7-3)13-21-17(19)23-24-18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -1012.8 |
experimental value |
| -1054 |
Eq4: Model for organic peroxides (Training set) |