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:631
Name:Benzeneethanol, alpha-methyl
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
6.8

experimental value

7.18

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