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:775
Name:Naphthalene, 1-pentyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C15H18/c1-2-3-4-8-13-10-7-11-14-9-5-6-12-15(13)14/h5-7,9-12H,2-4,8H2,1H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.1

experimental value

4.5

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