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:252
Name:Benzene, 1,3-dimethoxy-5-(2-phenylethenyl)-,(E)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.62

experimental value

6.11

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