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

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

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InChI
InChI=1S/C25H45F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-31-22(29)24(6-2,7-3)23(30)32-21(4)25(26,27)28/h21H,5-20H2,1-4H3
InChI Key
CSPGGGMCKKHFKJ-UHFFFAOYSA-N
Formula
C25H45F3O4
SMILES
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F
Molecular Weight1
466.62
Sources

Physical Properties

Property Value Unit Source
Δf -889.41 kJ/mol Joback Calculated Property
Δfgas -1660.04 kJ/mol Joback Calculated Property
Δfus 56.97 kJ/mol Joback Calculated Property
Δvap 84.12 kJ/mol Joback Calculated Property
logPoct/wat 7.92 Crippen Calculated Property
Pc 765.21 kPa Joback Calculated Property
Tboil 914.89 K Joback Calculated Property
Tc 1123.38 K Joback Calculated Property
Tfus 507.44 K Joback Calculated Property
Vc 1.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1302.34 J/mol×K 914.89 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-F 3
>C=O (nonring) 2
-CH2- 16
>C< 2
-CH3 4

Similar Compounds

Diethylmalonic acid, decyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, octadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1,1,1-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, tridecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, tetradecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, dodecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, hexyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, butyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, propyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester.

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