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

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

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InChI
InChI=1S/C16H27F3O4/c1-5-8-9-10-11-22-13(20)15(6-2,7-3)14(21)23-12(4)16(17,18)19/h12H,5-11H2,1-4H3
InChI Key
DMYOAENQOJHBPG-UHFFFAOYSA-N
Formula
C16H27F3O4
SMILES
CCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F
Molecular Weight1
340.38
Sources

Physical Properties

Property Value Unit Source
Δf -965.19 kJ/mol Joback Calculated Property
Δfgas -1474.28 kJ/mol Joback Calculated Property
Δfus 33.66 kJ/mol Joback Calculated Property
Δvap 64.09 kJ/mol Joback Calculated Property
logPoct/wat 4.41 Crippen Calculated Property
Pc 1321.35 kPa Joback Calculated Property
Tboil 708.97 K Joback Calculated Property
Tc 883.85 K Joback Calculated Property
Tfus 406.01 K Joback Calculated Property
Vc 1.01 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 761.65 J/mol×K 708.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 4
-CH2- 7
-F 3
>C< 2
>C=O (nonring) 2

Similar Compounds

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

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