Chemical Properties of Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl undecyl ester

Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl undecyl ester

InChI
InChI=1S/C23H32F4O4/c1-4-5-6-7-8-9-10-11-12-16-30-20(28)22(2,3)21(29)31-18-15-13-14-17(19(18)24)23(25,26)27/h13-15H,4-12,16H2,1-3H3
InChI Key
LZJZKEQAZIGUDH-UHFFFAOYSA-N
Formula
C23H32F4O4
SMILES
CCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1cccc(C(F)(F)F)c1F
Molecular Weight1
448.50
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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 [2330.00; 2330.00]   Show Hide
Inp 2330.00 NIST
Inp 2330.00 NIST
Tboil 623.80 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

Dimethylmalonic acid, dodecyl 2-fluoro-3-trifluoromethylphenyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl tridecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentadecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl tetradecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptadecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl nonyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl hexadecyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octadecyl ester. Dimethylmalonic acid, decyl 2-fluoro-3-trifluoromethylphenyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl hexyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentyl ester. Dimethylmalonic acid, butyl 2-fluoro-3-trifluoromethylphenyl ester. Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl isohexyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octadecyl ester.

Find more compounds similar to Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl undecyl ester.

Sources

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