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

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

InChI
InChI=1S/C23H32F4O4/c1-4-7-8-9-10-11-12-16-30-20(28)22(5-2,6-3)21(29)31-18-15-13-14-17(19(18)24)23(25,26)27/h13-15H,4-12,16H2,1-3H3
InChI Key
JWILIEFMYHJUQV-UHFFFAOYSA-N
Formula
C23H32F4O4
SMILES
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C(F)(F)F)c1F
Molecular Weight1
448.49
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Physical Properties

Property Value Unit Source
ΔfusH° 54.82 kJ/mol Joback Calculated Property
logPoct/wat 6.850 Crippen Calculated Property
McVol 333.130 ml/mol McGowan Calculated Property
Inp [2295.00; 2295.00]   Show Hide
Inp 2295.00 NIST
Inp 2295.00 NIST
Tboil 629.69 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 [503.79; 1128.75] 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 A2.91000e+00
Coefficient B2.18016e+00
Coefficient C-1.34452e-03
Coefficient D2.90200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 503.79 J/mol×K 273.00 Calculated Property
Cp,gas 618.77 J/mol×K 353.78 Calculated Property
Cp,gas 720.23 J/mol×K 434.56 Calculated Property
Cp,gas 809.07 J/mol×K 515.33 Calculated Property
Cp,gas 886.23 J/mol×K 596.11 Calculated Property
Cp,gas 952.61 J/mol×K 676.89 Calculated Property
Cp,gas 1009.13 J/mol×K 757.67 Calculated Property
Cp,gas 1056.72 J/mol×K 838.44 Calculated Property
Cp,gas 1096.29 J/mol×K 919.22 Calculated Property
Cp,gas 1128.75 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, 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 nonyl ester.

Sources

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