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: | 35 | |
|---|---|---|
| Name: | Cumene hydroperoxide | |
| Description: | ||
| Labels: | Test | |
| CAS: | 80-15-9 | |
| InChi Code: | InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3 |
Properties
SADT: Self-accelerating decomposition temperature [°C]
| Value | Source or prediction |
|---|---|
| 84.3 |
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 |
| 85.07 |
Eq3: Model for self-accelerating decomposition temperature (Test set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3024869 | US EPA CompTox Dashboard |