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:T24
Name:3,3,5,7,7-PENTAMETHYL-1,2,4-TRIOXEPANE
Description:
Labels:
CAS:215877-64-8
InChi Code:InChI=1S/C9H18O3/c1-7-6-8(2,3)11-12-9(4,5)10-7/h7H,6H2,1-5H3

Properties

dH_C: Heat of decomposition [J/g]

ValueSource or prediction
-1556

experimental value

-1577

Eq4: Model for organic peroxides (Training set)