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:361
Name:3-Ethylheptane
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H20/c1-4-7-8-9(5-2)6-3/h9H,4-8H2,1-3H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
296

experimental value

290.49

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