10967/230 - QDB Compounds

QsarDB Repository

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:T01
Name:DIBENZOYL PEROXIDE
Description:
Labels:
CAS:94-36-0
InChi Code:InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H

Properties

dH_C: Heat of decomposition [J/g]

ValueSource or prediction
-1572.6

experimental value

-1616

Eq4: Model for organic peroxides (Training set)