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:123
Name:trans-2-Eicosene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3,5H,4,6-20H2,1-2H3/b5-3+

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
3.02

experimental value

2.9

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