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: | T23 | |
|---|---|---|
| Name: | 1,1,3,3-TETRAMETHYLBUTYL HYDROPEROXIDE | |
| Description: | ||
| Labels: | ||
| CAS: | 5809-08-5 | |
| InChi Code: | InChI=1S/C8H18O2/c1-7(2,3)6-8(4,5)10-9/h9H,6H2,1-5H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -1690.5 |
experimental value |
| -1896 |
Eq4: Model for organic peroxides (Training set) |