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:26
Name:Heptane, 3,3,5-trimethyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H22/c1-6-9(3)8-10(4,5)7-2/h9H,6-8H2,1-5H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
4.33

experimental value

4.7

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