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: | V02 | |
|---|---|---|
| Name: | TERT-BUTYLPEROXY 2-ETHYLHEXYL CARBONATE | |
| Description: | ||
| Labels: | ||
| CAS: | 34443-12-4 | |
| InChi Code: | InChI=1S/C13H26O4/c1-6-8-9-11(7-2)10-15-12(14)16-17-13(3,4)5/h11H,6-10H2,1-5H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -1123.9 |
experimental value |
| -1159 |
Eq4: Model for organic peroxides (Test set) |