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: | 6 | |
|---|---|---|
| Name: | Dicetyl peroxydicarbonate | |
| Description: | Name changed. Original (Biscetyl peroxydicarbonate) | |
| Labels: | Training | |
| CAS: | 26322-14-5 | |
| InChi Code: | InChI=1S/C34H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-33(35)39-40-34(36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3 |
Properties
SADT: Self-accelerating decomposition temperature [°C]
| Value | Source or prediction |
|---|---|
| 19.9 |
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. https://doi.org/10.1016/s0009-2509(00)00370-5 |
| 12.88 |
Eq3: Model for self-accelerating decomposition temperature (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1051937 | US EPA CompTox Dashboard |