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: | 839 | |
|---|---|---|
| Name: | Heptane, 3,3,5-trimethyl- | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C10H22/c1-6-9(3)8-10(4,5)7-2/h9H,6-8H2,1-5H3 |
Properties
LFLT: Lower flammability limit temperature [K]
| Value | Source or prediction |
|---|---|
| 302 |
experimental value |
| 295.81 |
Eq.1: Model for diverse and pure compounds (Training set) |