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:483
Name:Propane, 2-(1,1-dimethylethoxy)-1-[2-(1,1-dimethylethoxy)-1-methylethoxy]-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C14H30O3/c1-11(10-16-13(3,4)5)15-9-12(2)17-14(6,7)8/h11-12H,9-10H2,1-8H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
6.66

experimental value

7.22

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