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: | V10 | |
|---|---|---|
| Name: | DITETRADECYL PEROXYDICARBONATE | |
| Description: | ||
| Labels: | ||
| CAS: | 53220-22-7 | |
| InChi Code: | InChI=1S/C30H58O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-29(31)35-36-30(32)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -572.355 |
experimental value |
| -462 |
Eq4: Model for organic peroxides (Test set) |