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: | T24 | |
|---|---|---|
| Name: | 3,3,5,7,7-PENTAMETHYL-1,2,4-TRIOXEPANE | |
| Description: | ||
| Labels: | ||
| CAS: | 215877-64-8 | |
| InChi Code: | InChI=1S/C9H18O3/c1-7-6-8(2,3)11-12-9(4,5)10-7/h7H,6H2,1-5H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -1556 |
experimental value |
| -1577 |
Eq4: Model for organic peroxides (Training set) |