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:806
Name:Ethanol, 2-[(1-methyl-2-propenyl)oxy]-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H12O2/c1-3-6(2)8-5-4-7/h3,6-7H,1,4-5H2,2H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
10.6

experimental value

10.91

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