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

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

InChI
InChI=1S/C24H34F4O4/c1-4-7-8-9-10-11-12-13-17-31-21(29)23(5-2,6-3)22(30)32-19-16-14-15-18(20(19)25)24(26,27)28/h14-16H,4-13,17H2,1-3H3
InChI Key
YAAOPZNWWCFOQK-UHFFFAOYSA-N
Formula
C24H34F4O4
SMILES
CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C(F)(F)F)c1F
Molecular Weight1
462.52
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Physical Properties

Property Value Unit Source
ΔfusH° 57.41 kJ/mol Joback Calculated Property
logPoct/wat 7.240 Crippen Calculated Property
McVol 347.220 ml/mol McGowan Calculated Property
Inp [2390.00; 2390.00]   Show Hide
Inp 2390.00 NIST
Inp 2390.00 NIST
Tboil 638.83 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 [525.01; 1180.34] 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 A2.00100e+00
Coefficient B2.27516e+00
Coefficient C-1.39892e-03
Coefficient D3.02100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 525.01 J/mol×K 273.00 Calculated Property
Cp,gas 645.19 J/mol×K 353.78 Calculated Property
Cp,gas 751.30 J/mol×K 434.56 Calculated Property
Cp,gas 844.30 J/mol×K 515.33 Calculated Property
Cp,gas 925.14 J/mol×K 596.11 Calculated Property
Cp,gas 994.77 J/mol×K 676.89 Calculated Property
Cp,gas 1054.15 J/mol×K 757.67 Calculated Property
Cp,gas 1104.23 J/mol×K 838.44 Calculated Property
Cp,gas 1145.98 J/mol×K 919.22 Calculated Property
Cp,gas 1180.34 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 octadecyl 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, 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, decyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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