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:V05
Name:TERT-BUTYL HYDROPEROXIDE
Description:
Labels:
CAS:75-91-2
InChi Code:InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3

Properties

dH_C: Heat of decomposition [J/g]

ValueSource or prediction
-2024

experimental value

-2298

Eq4: Model for organic peroxides (Test set)