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: | 656 | |
|---|---|---|
| Name: | Butanoic acid, 3-methyl-, 3-methylbutyl ester | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3 |
Properties
LFLT: Lower flammability limit temperature [K]
| Value | Source or prediction |
|---|---|
| 332 |
experimental value |
| 325.09 |
Eq.1: Model for diverse and pure compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8044757 | US EPA CompTox Dashboard |