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

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

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InChI
InChI=1S/C13H21F3O4/c1-5-8-19-10(17)12(6-2,7-3)11(18)20-9(4)13(14,15)16/h9H,5-8H2,1-4H3
InChI Key
DZFQJFWLMLPZFU-UHFFFAOYSA-N
Formula
C13H21F3O4
SMILES
CCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F
Molecular Weight1
298.30
Sources

Physical Properties

Property Value Unit Source
Δf -990.45 kJ/mol Joback Calculated Property
Δfgas -1412.36 kJ/mol Joback Calculated Property
Δfus 25.89 kJ/mol Joback Calculated Property
Δvap 57.41 kJ/mol Joback Calculated Property
logPoct/wat 3.24 Crippen Calculated Property
Pc 1648.43 kPa Joback Calculated Property
Tboil 640.33 K Joback Calculated Property
Tc 815.51 K Joback Calculated Property
Tfus 372.20 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 598.45 J/mol×K 640.33 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Diethylmalonic acid, butyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, hexyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, pentadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, octadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, decyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptadecyl 1,1,1-trifluoroprop-2-yl 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, hexadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1,1,1-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isobutyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester.

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