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: | T25 | |
|---|---|---|
| Name: | DICETYL PEROXYDICARBONATE | |
| Description: | ||
| Labels: | ||
| CAS: | 26322-14-5 | |
| InChi Code: | InChI=1S/C34H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-33(35)39-40-34(36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -484.627 |
experimental value |
| -291 |
Eq4: Model for organic peroxides (Training set) |