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:27
Name:di-butyl peroxydicarbonate
Description:
Labels:Training
CAS:16215-49-9
InChi Code:InChI=1S/C10H18O6/c1-3-5-7-13-9(11)15-16-10(12)14-8-6-4-2/h3-8H2,1-2H3

Properties

SADT: Self-accelerating decomposition temperature [°C]

ValueSource or prediction
15.1

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

22.1

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