10967/196 - QDB Compounds

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Gharagheizi, F. A QSPR model for estimation of lower flammability limit temperature of pure compounds based on molecular structure. J. Hazard. Mater. 2009, 169, 217–220.

Compound

ID:1040
Name:Phosphoric acid, tris(2-methylphenyl) ester
Description:
Labels:
CAS:
InChi Code:InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
500

experimental value

501.84

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

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