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:613
Name:1,3-Dioxan-4-ol,2,6-dimethyl-, acetate
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
8.48

experimental value

10.28

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