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:957
Name:Octane, 2,5-dimethyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H22/c1-5-6-10(4)8-7-9(2)3/h9-10H,5-8H2,1-4H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
306

experimental value

307.1

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