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:218
Name:2,3-Dihydro-2-methylbenzo[b]thiophene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H10S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7H,6H2,1H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
372

experimental value

371.29

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