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: | 21 | |
|---|---|---|
| Name: | tert-Buty-peroxy 2-ethylhexanoate | |
| Description: | Name changed. Original (tert-Butylperoxy-2-ethylhexanoate) | |
| Labels: | Training | |
| CAS: | 3006-82-4 | |
| InChi Code: | InChI=1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3 |
Properties
SADT: Self-accelerating decomposition temperature [°C]
| Value | Source or prediction |
|---|---|
| 36 |
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 |
| 37.88 |
Eq3: Model for self-accelerating decomposition temperature (Training set) |