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: | 30 | |
|---|---|---|
| Name: | 1,2-Benzenedicarboxylic acid, heptyl, nonyl ester | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C24H38O4/c1-3-5-7-9-10-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-11-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3 |
Properties
LFLT: Lower flammability limit temperature [K]
| Value | Source or prediction |
|---|---|
| 500 |
experimental value |
| 538.6 |
Eq.1: Model for diverse and pure compounds (Validation set) |