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:755
Name:Phenol, 3-methyl-4-(1-methylethyl)
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
6.95

experimental value

6.27

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