Chemical Properties of Diethylmalonic acid, ethyl 2-fluoro-3-trifluoromethylphenyl ester

Diethylmalonic acid, ethyl 2-fluoro-3-trifluoromethylphenyl ester

InChI
InChI=1S/C16H18F4O4/c1-4-15(5-2,13(21)23-6-3)14(22)24-11-9-7-8-10(12(11)17)16(18,19)20/h7-9H,4-6H2,1-3H3
InChI Key
UVLAXBCAFQMBBU-UHFFFAOYSA-N
Formula
C16H18F4O4
SMILES
CCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C(F)(F)F)c1F
Molecular Weight1
350.31
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Physical Properties

Property Value Unit Source
ΔfusH° 36.69 kJ/mol Joback Calculated Property
logPoct/wat 4.119 Crippen Calculated Property
McVol 234.500 ml/mol McGowan Calculated Property
Inp [1674.00; 1674.00]   Show Hide
Inp 1674.00 NIST
Inp 1674.00 NIST
Tboil 555.48 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [355.30; 767.61] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A9.27300e+00
Coefficient B1.51516e+00
Coefficient C-9.63720e-04
Coefficient D2.06900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 355.30 J/mol×K 273.00 Calculated Property
Cp,gas 433.85 J/mol×K 353.78 Calculated Property
Cp,gas 502.69 J/mol×K 434.56 Calculated Property
Cp,gas 562.47 J/mol×K 515.33 Calculated Property
Cp,gas 613.85 J/mol×K 596.11 Calculated Property
Cp,gas 657.48 J/mol×K 676.89 Calculated Property
Cp,gas 694.02 J/mol×K 757.67 Calculated Property
Cp,gas 724.12 J/mol×K 838.44 Calculated Property
Cp,gas 748.43 J/mol×K 919.22 Calculated Property
Cp,gas 767.61 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl propyl ester. Diethylmalonic acid, butyl 2-fluoro-3-trifluoromethylphenyl ester. Diethylmalonic acid, isobutyl 2-fluoro-3-trifluoromethylphenyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentadecyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptadecyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl tridecyl ester. Diethylmalonic acid, dodecyl 2-fluoro-3-trifluoromethylphenyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl hexadecyl ester. Diethylmalonic acid, eicosyl 2-fluoro-3-trifluoromethylphenyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl nonyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl undecyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octadecyl ester. Diethylmalonic acid, decyl 2-fluoro-3-trifluoromethylphenyl ester.

Find more compounds similar to Diethylmalonic acid, ethyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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