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:T08
Name:LAUROYL PEROXIDE
Description:
Labels:
CAS:105-74-8
InChi Code:InChI=1S/C24H46O4/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3

Properties

dH_C: Heat of decomposition [J/g]

ValueSource or prediction
-803.152

experimental value

-630

Eq4: Model for organic peroxides (Training set)