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:202
Name:1-Propene, 3,3,thiobis
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
319.15

experimental value

321.14

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