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: | 1010 | |
|---|---|---|
| Name: | Pentanoic acid, butyl ester | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3 |
Properties
LFLT: Lower flammability limit temperature [K]
| Value | Source or prediction |
|---|---|
| 337 |
experimental value |
| 325.43 |
Eq.1: Model for diverse and pure compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3060455 | US EPA CompTox Dashboard |