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: | 658 | |
|---|---|---|
| Name: | Butanoic acid, 3-oxo-, ethyl ester | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3 |
Properties
LFLT: Lower flammability limit temperature [K]
| Value | Source or prediction |
|---|---|
| 341 |
experimental value |
| 334.17 |
Eq.1: Model for diverse and pure compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2027092 | US EPA CompTox Dashboard |