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: | 835 | |
|---|---|---|
| Name: | Heptane, 1-bromo | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3 |
Properties
LFLT: Lower flammability limit temperature [K]
| Value | Source or prediction |
|---|---|
| 334 |
experimental value |
| 303.88 |
Eq.1: Model for diverse and pure compounds (Validation set) |