Prana, V.; Fayet, G.; Rotureau, P.; Adamo, C. Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds. J. Hazard. Mater. 2012, 235-236, 169–177.
Compound
| ID: | mol31 | |
|---|---|---|
| Name: | Ethylene bis-(4,4,4-trinitrobutyrate) | |
| Description: | ||
| Labels: | ||
| CAS: | 71706-40-6 | |
| InChi Code: | InChI=1S/C10H12N6O16/c17-7(1-3-9(11(19)20,12(21)22)13(23)24)31-5-6-32-8(18)2-4-10(14(25)26,15(27)28)16(29)30/h1-6H2 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 120 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 2.08 |
experimental value |
| 2.13 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |