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:369
Name:1,3-Pentanediol, 2-methyl
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H14O2/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
11.5

experimental value

11.23

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