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:986
Name:Pentane, 2,2,3,trimethyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H18/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
272

experimental value

263.81

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