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:T07
Name:DI-TERT-AMYL PEROXIDE
Description:
Labels:
CAS:10508-09-5
InChi Code:InChI=1S/C10H22O2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3

Properties

dH_C: Heat of decomposition [J/g]

ValueSource or prediction
-1103.9

experimental value

-1061

Eq4: Model for organic peroxides (Training set)