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:100
Name:1-Decanol, 2-butyl
Description:
Labels:
CAS:
InChi Code:InChI=1S/C14H30O/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h14-15H,3-13H2,1-2H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
425

experimental value

420.09

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