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

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

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InChI
InChI=1S/C16H26BrF3O4/c1-4-7-8-9-10-23-13(21)15(5-2,6-3)14(22)24-12(11-17)16(18,19)20/h12H,4-11H2,1-3H3
InChI Key
UHXGBDATXMOSQN-UHFFFAOYSA-N
Formula
C16H26BrF3O4
SMILES
CCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
419.27
Sources

Physical Properties

Property Value Unit Source
Δf -950.87 kJ/mol Joback Calculated Property
Δfgas -1447.95 kJ/mol Joback Calculated Property
Δfus 38.94 kJ/mol Joback Calculated Property
Δvap 70.53 kJ/mol Joback Calculated Property
logPoct/wat 4.79 Crippen Calculated Property
Pc 1390.22 kPa Joback Calculated Property
Tboil 775.13 K Joback Calculated Property
Tc 961.46 K Joback Calculated Property
Tfus 465.81 K Joback Calculated Property
Vc 1.07 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 807.15 J/mol×K 775.13 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
-CH2- 8
-F 3
>C< 2
>C=O (nonring) 2
-Br 1

Similar Compounds

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 decyl 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 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 tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl 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 pentyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isobutyl ester. Diethylmalonic acid, di(1-bromo-3,3,3-trifluoroprop-2-yl) ester.

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