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: | V09 | |
|---|---|---|
| Name: | TERT-BUTYL PEROXYACETATE | |
| Description: | ||
| Labels: | ||
| CAS: | 107-71-1 | |
| InChi Code: | InChI=1S/C6H12O3/c1-5(7)8-9-6(2,3)4/h1-4H3 |
Properties
dH_C: Heat of decomposition [J/g]
| Value | Source or prediction |
|---|---|
| -2233.9 |
experimental value |
| -1620 |
Eq4: Model for organic peroxides (Test set) |