10967/197 - QDB Compounds

QsarDB Repository

Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.

Compound

ID:752
Name:1-Tridecanol, 2-methyl
Description:
Labels:
CAS:
InChi Code:InChI=1S/C14H30O/c1-3-4-5-6-7-8-9-10-11-12-14(2)13-15/h14-15H,3-13H2,1-2H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
6.15

experimental value

4.48

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