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:1042
Name:Propan-2-ol, 1-[2-(tert-butoxy)-isopropoxy]
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H22O3/c1-8(2)12-6-9(11)7-13-10(3,4)5/h8-9,11H,6-7H2,1-5H3

Properties

LFLT: Lower flammability limit temperature [K]

ValueSource or prediction
400

experimental value

392.68

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