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:197
Name:Benzene, (phenylethyl)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.2

experimental value

5.99

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