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: | 881 | |
|---|---|---|
| Name: | Hexanoic acid, 2-methyl- | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9) |
Properties
LFLT: Lower flammability limit temperature [K]
| Value | Source or prediction |
|---|---|
| 367.58 |
experimental value |
| 360.66 |
Eq.1: Model for diverse and pure compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9044241 | US EPA CompTox Dashboard |