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: | 29 | |
|---|---|---|
| Name: | 2,5-Dimethyl-2,5-di(2-ethylhexanoylperoxy)hexane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 13052-09-0 | |
| InChi Code: | InChI=1S/C24H46O6/c1-9-13-15-19(11-3)21(25)27-29-23(5,6)17-18-24(7,8)30-28-22(26)20(12-4)16-14-10-2/h19-20H,9-18H2,1-8H3 |
Properties
SADT: Self-accelerating decomposition temperature [°C]
| Value | Source or prediction |
|---|---|
| 38.6 |
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 |
| 47.37 |
Eq3: Model for self-accelerating decomposition temperature (Training set) |