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

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

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InChI
InChI=1S/C25H44BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-32-22(30)24(5-2,6-3)23(31)33-21(20-26)25(27,28)29/h21H,4-20H2,1-3H3
InChI Key
LPYULUAJEHVLFF-UHFFFAOYSA-N
Formula
C25H44BrF3O4
SMILES
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
545.51
Sources

Physical Properties

Property Value Unit Source
Δf -875.09 kJ/mol Joback Calculated Property
Δfgas -1633.71 kJ/mol Joback Calculated Property
Δfus 62.25 kJ/mol Joback Calculated Property
Δvap 90.56 kJ/mol Joback Calculated Property
logPoct/wat 8.30 Crippen Calculated Property
Pc 795.28 kPa Joback Calculated Property
Tboil 981.05 K Joback Calculated Property
Tc 1207.74 K Joback Calculated Property
Tfus 567.24 K Joback Calculated Property
Vc 1.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1348.29 J/mol×K 981.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-F 3
>C=O (nonring) 2
-CH2- 17
>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 hexadecyl 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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