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:362
Name:Propanol,((1-methyl-1,2-ethanediyl)bis(oxy))bis-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H20O4/c1-4-6(10)8(12)9(3,13)7(11)5-2/h6-8,10-13H,4-5H2,1-3H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
8.7

experimental value

9.78

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