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:85
Name:3-Hexene, (E)-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
9

experimental value

8.64

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