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:27
Name:Hexane,2,4,4-trimethyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H20/c1-6-9(4,5)7-8(2)3/h8H,6-7H2,1-5H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.2

experimental value

5.94

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