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: | 589 | |
|---|---|---|
| Name: | Benzeneacetonitrile | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2 |
Properties
LFLT: Lower flammability limit temperature [K]
| Value | Source or prediction |
|---|---|
| 373 |
experimental value |
| 361.53 |
Eq.1: Model for diverse and pure compounds (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021492 | US EPA CompTox Dashboard |