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:320
Name:1-Hexanol, 2-methyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
9

experimental value

7.74

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