Chemical Properties of Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester

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InChI
InChI=1S/C24H42BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-31-21(29)23(5-2,6-3)22(30)32-20(19-25)24(26,27)28/h20H,4-19H2,1-3H3
InChI Key
USFSMDXQIURBKU-UHFFFAOYSA-N
Formula
C24H42BrF3O4
SMILES
CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
531.49
Sources

Physical Properties

Property Value Unit Source
Δf -883.51 kJ/mol Joback Calculated Property
Δfgas -1613.07 kJ/mol Joback Calculated Property
Δfus 59.66 kJ/mol Joback Calculated Property
Δvap 88.33 kJ/mol Joback Calculated Property
logPoct/wat 7.91 Crippen Calculated Property
Pc 840.16 kPa Joback Calculated Property
Tboil 958.17 K Joback Calculated Property
Tc 1176.41 K Joback Calculated Property
Tfus 555.97 K Joback Calculated Property
Vc 1.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1285.56 J/mol×K 958.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-F 3
>C=O (nonring) 2
-CH2- 16
>C< 2
-CH3 3
-Br 1

Similar Compounds

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl nonyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl dodecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isobutyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl ethyl ester.

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