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:49
Name:3-Ethylheptane
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H20/c1-4-7-8-9(5-2)6-3/h9H,4-8H2,1-3H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.4

experimental value

5.36

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