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

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

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InChI
InChI=1S/C21H36BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-28-18(26)20(5-2,6-3)19(27)29-17(16-22)21(23,24)25/h17H,4-16H2,1-3H3
InChI Key
ZPJQCJZFULVDIK-UHFFFAOYSA-N
Formula
C21H36BrF3O4
SMILES
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
489.41
Sources

Physical Properties

Property Value Unit Source
Δf -908.77 kJ/mol Joback Calculated Property
Δfgas -1551.15 kJ/mol Joback Calculated Property
Δfus 51.89 kJ/mol Joback Calculated Property
Δvap 81.66 kJ/mol Joback Calculated Property
logPoct/wat 6.74 Crippen Calculated Property
Pc 1000.18 kPa Joback Calculated Property
Tboil 889.53 K Joback Calculated Property
Tc 1089.13 K Joback Calculated Property
Tfus 522.16 K Joback Calculated Property
Vc 1.35 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1100.81 J/mol×K 889.53 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-F 3
-CH2- 13
>C< 2
-CH3 3
>C=O (nonring) 2
-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 tetradecyl 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 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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