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: | 22 | |
|---|---|---|
| Name: | 1,1-Di(tert-butylperoxy)3,3,5-trimethylcyclohexane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 6731-36-8 | |
| InChi Code: | InChI=1S/C17H34O4/c1-13-10-16(8,9)12-17(11-13,20-18-14(2,3)4)21-19-15(5,6)7/h13H,10-12H2,1-9H3 |
Properties
SADT: Self-accelerating decomposition temperature [°C]
| Value | Source or prediction |
|---|---|
| 50.2 |
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. https://doi.org/10.1016/s0009-2509(00)00370-5 |
| 49.26 |
Eq3: Model for self-accelerating decomposition temperature (Training set) |