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:50
Name:Heptane, 2,2-dimethyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.1

experimental value

5.73

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

Links to External Resources