Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.
Compound
| ID: | 518 | |
|---|---|---|
| Name: | Benzene, 1,3-diisocyanato-2-methyl | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3 |
Properties
LFLT: Lower flammability limit temperature [K]
| Value | Source or prediction |
|---|---|
| 388 |
experimental value |
| 406.78 |
Eq.1: Model for diverse and pure compounds (Validation set) |