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:116
Name:1-Heptanethiol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
325

experimental value

301.12

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

Links to External Resources