Prana, V.; Rotureau, P.; André, D.; Fayet, G.; Adamo, C. Development of Simple QSPR Models for the Prediction of the Heat of Decomposition of Organic Peroxides. Mol. Inform. 2017, 36, 1700024.
Compound
| ID: | T19 | |
|---|---|---|
| Name: | 2,5-DIMETHYL-2,5-DI(2-ETHYLHEXANOYLPEROXY)HEXANE | |
| Description: | ||
| Labels: | ||
| CAS: | 13052-09-0 | |
| InChi Code: | InChI=1S/C24H46O6/c1-9-13-15-19(11-3)21(25)27-29-23(5,6)17-18-24(7,8)30-28-22(26)20(12-4)16-14-10-2/h19-20H,9-18H2,1-8H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -1117.6 |
experimental value |
| -1402 |
Eq4: Model for organic peroxides (Training set) |