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:9
Name:Lauroyl peroxide
Description:
Labels:Training
CAS:105-74-8
InChi Code:InChI=1S/C24H46O4/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3

Properties

SADT: Self-accelerating decomposition temperature [°C]

ValueSource or prediction
49

Sun, J.; Li, Y.; Hasegawa, K. A study of self-accelerating decomposition temperature (SADT) using reaction calorimetry. Journal of Loss Prevention in the Process Industries 2001, 14, 331-336. https://doi.org/10.1016/s0950-4230(01)00024-9

32.99

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

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