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:820
Name:Formic acid, hexyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
316

experimental value

314.24

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

Links to External Resources