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: | 41 | |
|---|---|---|
| Name: | 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne | |
| Description: | Name changed. Original (2,5-bis-(t-butylperoxy)2,5-dimethyl-3-hexyne) | |
| Labels: | Test | |
| CAS: | 1068-27-5 | |
| InChi Code: | InChI=1S/C16H30O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h1-10H3 |
Properties
SADT: Self-accelerating decomposition temperature [°C]
| Value | Source or prediction |
|---|---|
| 84.8 |
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. http://dx.doi.org/10.1016/s0009-2509(00)00370-5 |
| 78.87 |
Eq3: Model for self-accelerating decomposition temperature (Test set) |