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: | 36 | |
|---|---|---|
| Name: | tert-Amyl peroxyneodecanoate | |
| Description: | ||
| Labels: | Test | |
| CAS: | 68299-16-1 | |
| InChi Code: | InChI=1S/C15H30O3/c1-7-15(5,6)18-17-13(16)11-9-8-10-12-14(2,3)4/h7-12H2,1-6H3 |
Properties
SADT: Self-accelerating decomposition temperature [°C]
| Value | Source or prediction |
|---|---|
| 10.8 |
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 |
| 24.78 |
Eq3: Model for self-accelerating decomposition temperature (Test set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6071401 | US EPA CompTox Dashboard |