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: | V07 | |
|---|---|---|
| Name: | ETHYL 3 3-BIS(TERT-AMYLPEROXY)BUTYRATE | |
| Description: | ||
| Labels: | ||
| CAS: | 67567-23-1 | |
| InChi Code: | InChI=1S/C16H32O6/c1-9-14(4,5)19-21-16(8,12-13(17)18-11-3)22-20-15(6,7)10-2/h9-12H2,1-8H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -1579.9 |
experimental value |
| -1785 |
Eq4: Model for organic peroxides (Test set) |