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: | T16 | |
|---|---|---|
| Name: | DI-N-PROPYL PEROXYDICARBONATE | |
| Description: | ||
| Labels: | ||
| CAS: | 16066-38-9 | |
| InChi Code: | InChI=1S/C8H14O6/c1-3-5-11-7(9)13-14-8(10)12-6-4-2/h3-6H2,1-2H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -1842.2 |
experimental value |
| -1792 |
Eq4: Model for organic peroxides (Training set) |