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

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

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InChI
InChI=1S/C14H23F3O4/c1-6-13(7-2,11(18)20-8-9(3)4)12(19)21-10(5)14(15,16)17/h9-10H,6-8H2,1-5H3
InChI Key
CAPXWQRHMYIMDV-UHFFFAOYSA-N
Formula
C14H23F3O4
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)OC(C)C(F)(F)F
Molecular Weight1
312.33
Sources

Physical Properties

Property Value Unit Source
Δf -984.47 kJ/mol Joback Calculated Property
Δfgas -1438.28 kJ/mol Joback Calculated Property
Δfus 24.96 kJ/mol Joback Calculated Property
Δvap 59.25 kJ/mol Joback Calculated Property
logPoct/wat 3.49 Crippen Calculated Property
Pc 1536.66 kPa Joback Calculated Property
Tboil 662.77 K Joback Calculated Property
Tc 839.82 K Joback Calculated Property
Tfus 368.47 K Joback Calculated Property
Vc 0.89 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 652.09 J/mol×K 662.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
-CH3 5
-CH2- 3
-F 3
>C< 2
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, propyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, butyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, hexyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, tetradecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, decyl 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, tridecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, pentadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1,1,1-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl 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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