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:34
Name:Benzoyl peroxide
Description:
Labels:Test
CAS:94-36-0
InChi Code:InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H

Properties

SADT: Self-accelerating decomposition temperature [°C]

ValueSource or prediction
80

Yu, Y.; Hasegawa, K. Derivation of the self-accelerating decomposition temperature for self-reactive substances using isothermal calorimetry. Journal of Hazardous Materials 1996, 45, 193-205. http://dx.doi.org/10.1016/0304-3894(95)00092-5

76.22

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

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