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:621
Name:4-Nonanone, 2,6,8-trimethyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H24O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-11H,6-8H2,1-5H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.03

experimental value

5.19

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

Links to External Resources