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: | 948 | |
|---|---|---|
| Name: | Octadecanoic acid, butyl ester | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3 |
Properties
LFLT: Lower flammability limit temperature [K]
| Value | Source or prediction |
|---|---|
| 446 |
experimental value |
| 457.47 |
Eq.1: Model for diverse and pure compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5027013 | US EPA CompTox Dashboard |