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: | 15 | |
|---|---|---|
| Name: | tert-Butyl peroxyacetate | |
| Description: | Name changed. Original (t-Butyl peroxy acetate) | |
| Labels: | Training | |
| CAS: | 107-71-1 | |
| InChi Code: | InChI=1S/C6H12O3/c1-5(7)8-9-6(2,3)4/h1-4H3 |
Properties
SADT: Self-accelerating decomposition temperature [°C]
| Value | Source or prediction |
|---|---|
| 65 |
Yu, Y.; Hasegawa, K. Derivation of the self-accelerating decomposition temperature for self-reactive substances using isothermal calorimetry. Journal of Hazardous Materials 1996, 45, 193-205. https://doi.org/10.1016/0304-3894(95)00092-5 |
| 69.39 |
Eq3: Model for self-accelerating decomposition temperature (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9029142 | US EPA CompTox Dashboard |