Chemical Properties of Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentyl ester

Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentyl ester

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InChI
InChI=1S/C17H20F4O4/c1-4-5-6-10-24-14(22)16(2,3)15(23)25-12-9-7-8-11(13(12)18)17(19,20)21/h7-9H,4-6,10H2,1-3H3
InChI Key
RFUKWHMVNPHKTF-UHFFFAOYSA-N
Formula
C17H20F4O4
SMILES
CCCCCOC(=O)C(C)(C)C(=O)Oc1cccc(C(F)(F)F)c1F
Molecular Weight1
364.33
Sources

Physical Properties

Property Value Unit Source
Δf -1055.99 kJ/mol Joback Calculated Property
Δfgas -1472.16 kJ/mol Joback Calculated Property
Δfus 36.12 kJ/mol Joback Calculated Property
Δvap 69.49 kJ/mol Joback Calculated Property
logPoct/wat 4.51 Crippen Calculated Property
Pc 1480.43 kPa Joback Calculated Property
Tboil 768.20 K Joback Calculated Property
Tc 960.27 K Joback Calculated Property
Tfus 484.33 K Joback Calculated Property
Vc 0.98 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 737.95 J/mol×K 768.2 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl hexyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl tetradecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl nonyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentadecyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptadecyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octadecyl ester. Diethylmalonic acid, eicosyl 2-fluoro-3-trifluoromethylphenyl ester. Diethylmalonic acid, di(2-fluoro-3-trifluoromethylphenyl) ester. 2-Ethylbutyric acid, 2-fluoro-3-trifluoromethylphenyl ester. Glutaric acid, cyclohexylmethyl 2-fluoro-3-trifluoromethylphenyl ester. Succinic acid, cyclohexylmethyl 2-fluoro-3-(trifluoromethyl)phenyl ester. Diethylmalonic acid, monochloride, 2-fluoro-3-trifluoromethylphenyl ester. Succinic acid, 8-chlorooctyl 2-fluoro-3-(trifluoromethyl)phenyl ester.

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