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: | T13 | |
|---|---|---|
| Name: | TERT-AMYL PEROXY 2-ETHYLHEXYL CARBONATE | |
| Description: | ||
| Labels: | ||
| CAS: | 70833-40-8 | |
| InChi Code: | InChI=1S/C14H28O4/c1-6-9-10-12(7-2)11-16-13(15)17-18-14(4,5)8-3/h12H,6-11H2,1-5H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -1004.3 |
experimental value |
| -1096 |
Eq4: Model for organic peroxides (Training set) |