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:368
Name:1,3-Pentanediol, 2,2,4-trimethyl
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
7.72

experimental value

9.06

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