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:627
Name:Phenol, 3-ethyl
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
7.6

experimental value

7.15

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