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: | 8 | |
|---|---|---|
| Name: | Cyclohexanone peroxide | |
| Description: | ||
| Labels: | Training | |
| CAS: | 12262-58-7 | |
| InChi Code: | InChI=1S/C12H22O5/c13-11(7-3-1-4-8-11)16-17-12(15-14)9-5-2-6-10-12/h13-14H,1-10H2 |
Properties
SADT: Self-accelerating decomposition temperature [°C]
| Value | Source or prediction |
|---|---|
| 80 |
Ding, L.; Zhang, L.; Sheng, Y.; Yan, S. SADT calculation of solid organic peroxides based on small sample mass of heterogeneous reaction. Huagong Xuebao/CIESC Journal 2009, 60, 1062-1067. |
| 80.39 |
Eq3: Model for self-accelerating decomposition temperature (Training set) |