10967/131 - QDB Compounds

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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:35
Name:Cumene hydroperoxide
Description:
Labels:Test
CAS:80-15-9
InChi Code:InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3

Properties

SADT: Self-accelerating decomposition temperature [°C]

ValueSource or prediction
84.3

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

85.07

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

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