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:658
Name:2-Butenedioic acid (Z)-, di-2-propenyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
7.9

experimental value

8.26

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