10967/197 - QDB Compounds

QsarDB Repository

Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.

Compound

ID:219
Name:Benzene, 1-ethyl-4-(2 phenylethyl)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H18/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.4

experimental value

5.39

Eq.1: Model for diverse and pure compounds (Training set)