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: | T17 | |
|---|---|---|
| Name: | BISDECANOYL PEROXIDE | |
| Description: | ||
| Labels: | ||
| CAS: | 762-12-9 | |
| InChi Code: | InChI=1S/C20H38O4/c1-3-5-7-9-11-13-15-17-19(21)23-24-20(22)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -879.183 |
experimental value |
| -819 |
Eq4: Model for organic peroxides (Training set) |