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:513
Name:2-Butene, 1,4-dichloro-, (Z-)
Description:
Labels:
CAS:
InChi Code:InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1-

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
12.7

experimental value

10.16

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