10967/197 - QDB Compounds

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Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.

Compound

ID:439
Name:1,4-Benzenedicarboxylic acid, dioctyl ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C24H38O4/c1-3-5-7-9-11-13-19-27-23(25)21-15-17-22(18-16-21)24(26)28-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
3

experimental value

3.64

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

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