10967/131 - QDB Compounds

QsarDB Repository

Pan, Y.; Zhang, Y.; Jiang, J.; Ding, L. Prediction of the self-accelerating decomposition temperature of organic peroxides using the quantitative structure–property relationship (QSPR) approach. J. Loss Prev. Process Ind. 2014, 31, 41–49.

Compound

ID:12
Name:Cumyl peroxyneodecanoate
Description:Incompletely Defined Substance in SciFinder
Labels:Training
CAS:26748-47-0
InChi Code:

Properties

SADT: Self-accelerating decomposition temperature [°C]

ValueSource or prediction
7.8

Bosch, C. M.; Velo, E.; Recasens, F. Safe storage temperature of peroxide initiators: prediction of self-accelerated decomposition temperature based on a runaway heuristics. Chemical Engineering Science 2001, 56, 1451-1457. http://dx.doi.org/10.1016/s0009-2509(00)00370-5

3.35

Eq3: Model for self-accelerating decomposition temperature (Training set)