Chemical Properties of Diethylmalonic acid, butyl 2,3,4-trifluorophenyl ester

Diethylmalonic acid, butyl 2,3,4-trifluorophenyl ester

InChI
InChI=1S/C17H21F3O4/c1-4-7-10-23-15(21)17(5-2,6-3)16(22)24-12-9-8-11(18)13(19)14(12)20/h8-9H,4-7,10H2,1-3H3
InChI Key
NYVUBUMISIURSN-UHFFFAOYSA-N
Formula
C17H21F3O4
SMILES
CCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
346.34
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Physical Properties

Property Value Unit Source
ΔfusH° 43.22 kJ/mol Joback Calculated Property
logPoct/wat 4.159 Crippen Calculated Property
McVol 246.820 ml/mol McGowan Calculated Property
Inp [1821.00; 1821.00]   Show Hide
Inp 1821.00 NIST
Inp 1821.00 NIST
Tboil 570.13 K Relay (1.0) Calculated Property
Tfus 283.60 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [372.32; 807.62] 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 A4.10450e+01
Coefficient B1.41306e+00
Coefficient C-7.62880e-04
Coefficient D1.16400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 372.32 J/mol×K 273.00 Calculated Property
Cp,gas 450.63 J/mol×K 353.78 Calculated Property
Cp,gas 520.59 J/mol×K 434.56 Calculated Property
Cp,gas 582.58 J/mol×K 515.33 Calculated Property
Cp,gas 636.95 J/mol×K 596.11 Calculated Property
Cp,gas 684.09 J/mol×K 676.89 Calculated Property
Cp,gas 724.36 J/mol×K 757.67 Calculated Property
Cp,gas 758.13 J/mol×K 838.44 Calculated Property
Cp,gas 785.76 J/mol×K 919.22 Calculated Property
Cp,gas 807.62 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, heptadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, octadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, tridecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, hexadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, pentadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, 2,3,4-trifluorophenyl undecyl ester. Diethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, octyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, decyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, nonyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, tetradecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, propyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, isobutyl 2,3,4-trifluorophenyl ester.

Find more compounds similar to Diethylmalonic acid, butyl 2,3,4-trifluorophenyl ester.

Sources

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