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:51
Name:Undecane, 3-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H26/c1-4-6-7-8-9-10-11-12(3)5-2/h12H,4-11H2,1-3H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.8

experimental value

4.9

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