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

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

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InChI
InChI=1S/C26H46BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-23(31)25(5-2,6-3)24(32)34-22(21-27)26(28,29)30/h22H,4-21H2,1-3H3
InChI Key
KORFQBVYAWEYGL-UHFFFAOYSA-N
Formula
C26H46BrF3O4
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
559.54
Sources

Physical Properties

Property Value Unit Source
Δf -866.67 kJ/mol Joback Calculated Property
Δfgas -1654.35 kJ/mol Joback Calculated Property
Δfus 64.84 kJ/mol Joback Calculated Property
Δvap 92.79 kJ/mol Joback Calculated Property
logPoct/wat 8.69 Crippen Calculated Property
Pc 753.91 kPa Joback Calculated Property
Tboil 1003.93 K Joback Calculated Property
Tc 1240.32 K Joback Calculated Property
Tfus 578.51 K Joback Calculated Property
Vc 1.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1411.52 J/mol×K 1003.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-F 3
>C=O (nonring) 2
-CH2- 18
>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 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 undecyl 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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