10967/196 - QDB Compounds

QsarDB Repository

Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.

Compound

ID:1028
Name:Phenol, 3-methyl-5-(1-methylethyl)
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H14O/c1-7(2)9-4-8(3)5-10(11)6-9/h4-7,11H,1-3H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
383.15

experimental value

359.24

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