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

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

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InChI
InChI=1S/C20H34BrF3O4/c1-4-7-8-9-10-11-12-13-14-27-17(25)19(5-2,6-3)18(26)28-16(15-21)20(22,23)24/h16H,4-15H2,1-3H3
InChI Key
YSCMQYLPUACKGU-UHFFFAOYSA-N
Formula
C20H34BrF3O4
SMILES
CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
475.38
Sources

Physical Properties

Property Value Unit Source
Δf -917.19 kJ/mol Joback Calculated Property
Δfgas -1530.51 kJ/mol Joback Calculated Property
Δfus 49.30 kJ/mol Joback Calculated Property
Δvap 79.43 kJ/mol Joback Calculated Property
logPoct/wat 6.35 Crippen Calculated Property
Pc 1063.79 kPa Joback Calculated Property
Tboil 866.65 K Joback Calculated Property
Tc 1062.00 K Joback Calculated Property
Tfus 510.89 K Joback Calculated Property
Vc 1.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1040.52 J/mol×K 866.65 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-F 3
-CH2- 12
>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 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 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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