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:694
Name:3-Hexenedinitrile
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
11.6

experimental value

10.68

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