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: | 28 | |
|---|---|---|
| Name: | bis(3,5,5-trimethylhexanoyl) peroxide | |
| Description: | ||
| Labels: | Training | |
| CAS: | 3851-87-4 | |
| InChi Code: | InChI=1S/C18H34O4/c1-13(11-17(3,4)5)9-15(19)21-22-16(20)10-14(2)12-18(6,7)8/h13-14H,9-12H2,1-8H3 |
Properties
SADT: Self-accelerating decomposition temperature [°C]
| Value | Source or prediction |
|---|---|
| 26.9 |
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. http://dx.doi.org/10.1016/s0009-2509(00)00370-5 |
| 22.9 |
Eq3: Model for self-accelerating decomposition temperature (Training set) |