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:221
Name:1,1'-(1,2-Ethanediyl)bis(4-ethyl-) benzene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C18H22/c1-3-15-5-9-17(10-6-15)13-14-18-11-7-16(4-2)8-12-18/h5-12H,3-4,13-14H2,1-2H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.23

experimental value

4.91

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