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:241
Name:Naphthalene, 1-hexyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H20/c1-2-3-4-5-9-14-11-8-12-15-10-6-7-13-16(14)15/h6-8,10-13H,2-5,9H2,1H3

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
5.1

experimental value

4.61

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

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