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

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

InChI
InChI=1S/C32H50F4O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-39-29(37)31(5-2,6-3)30(38)40-27-24-22-23-26(28(27)33)32(34,35)36/h22-24H,4-21,25H2,1-3H3
InChI Key
FFOAIPWGOBCYMF-UHFFFAOYSA-N
Formula
C32H50F4O4
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C(F)(F)F)c1F
Molecular Weight1
574.73
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Physical Properties

Property Value Unit Source
ΔfusH° 78.13 kJ/mol Joback Calculated Property
logPoct/wat 10.361 Crippen Calculated Property
McVol 459.940 ml/mol McGowan Calculated Property
Inp 3200.00 NIST
Tboil 700.21 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 [694.72; 1593.07] 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 A-5.27100e+00
Coefficient B3.03516e+00
Coefficient C-1.83412e-03
Coefficient D3.97300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 694.72 J/mol×K 273.00 Calculated Property
Cp,gas 856.54 J/mol×K 353.78 Calculated Property
Cp,gas 999.92 J/mol×K 434.56 Calculated Property
Cp,gas 1126.14 J/mol×K 515.33 Calculated Property
Cp,gas 1236.43 J/mol×K 596.11 Calculated Property
Cp,gas 1332.06 J/mol×K 676.89 Calculated Property
Cp,gas 1414.28 J/mol×K 757.67 Calculated Property
Cp,gas 1484.35 J/mol×K 838.44 Calculated Property
Cp,gas 1543.53 J/mol×K 919.22 Calculated Property
Cp,gas 1593.07 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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