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:54
Name:1,3-Pentanediol, 2-methyl
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H14O2/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
392

experimental value

398.6

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