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:920
Name:Naphthalene, 1-hexyl-1,2,3,4-tetrahydro-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H24/c1-2-3-4-5-9-14-11-8-12-15-10-6-7-13-16(14)15/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
412

experimental value

404.4

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