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

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

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InChI
InChI=1S/C14H22BrF3O4/c1-5-13(6-2,11(19)21-8-9(3)4)12(20)22-10(7-15)14(16,17)18/h9-10H,5-8H2,1-4H3
InChI Key
LISDAQXZDFIOQB-UHFFFAOYSA-N
Formula
C14H22BrF3O4
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
391.22
Sources

Physical Properties

Property Value Unit Source
Δf -970.15 kJ/mol Joback Calculated Property
Δfgas -1411.95 kJ/mol Joback Calculated Property
Δfus 30.24 kJ/mol Joback Calculated Property
Δvap 65.69 kJ/mol Joback Calculated Property
logPoct/wat 3.861 Crippen Calculated Property
Pc 1623.29 kPa Joback Calculated Property
Tboil 728.93 K Joback Calculated Property
Tc 917.04 K Joback Calculated Property
Tfus 428.27 K Joback Calculated Property
Vc 0.950 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 696.55 J/mol×K 728.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 2
-F 3
>C=O (nonring) 2
-CH2- 4
>C< 2
-CH3 4
-Br 1

Similar Compounds

Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl ethyl ester. Diethylmalonic acid, di(1-bromo-3,3,3-trifluoroprop-2-yl) ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl dodecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl nonyl 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 decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester.

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