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:37
Name:p-Menthane hydroperoxide
Description:Name changed. Original (p-Mentane hydroperoxide)
Labels:Test
CAS:80-47-7
InChi Code:InChI=1S/C10H20O2/c1-8-4-6-9(7-5-8)10(2,3)12-11/h8-9,11H,4-7H2,1-3H3

Properties

SADT: Self-accelerating decomposition temperature [°C]

ValueSource or prediction
67

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

72.33

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

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