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

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

InChI
InChI=1S/C22H30F4O4/c1-4-7-8-9-10-11-15-29-19(27)21(5-2,6-3)20(28)30-17-14-12-13-16(18(17)23)22(24,25)26/h12-14H,4-11,15H2,1-3H3
InChI Key
IFBTZBIALJEEHD-UHFFFAOYSA-N
Formula
C22H30F4O4
SMILES
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C(F)(F)F)c1F
Molecular Weight1
434.46
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Physical Properties

Property Value Unit Source
ΔfusH° 52.23 kJ/mol Joback Calculated Property
logPoct/wat 6.460 Crippen Calculated Property
McVol 319.040 ml/mol McGowan Calculated Property
Inp [2202.00; 2202.00]   Show Hide
Inp 2202.00 NIST
Inp 2202.00 NIST
Tboil 620.29 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 [482.58; 1077.16] 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 A3.81900e+00
Coefficient B2.08516e+00
Coefficient C-1.29012e-03
Coefficient D2.78300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 482.58 J/mol×K 273.00 Calculated Property
Cp,gas 592.36 J/mol×K 353.78 Calculated Property
Cp,gas 689.15 J/mol×K 434.56 Calculated Property
Cp,gas 773.84 J/mol×K 515.33 Calculated Property
Cp,gas 847.32 J/mol×K 596.11 Calculated Property
Cp,gas 910.45 J/mol×K 676.89 Calculated Property
Cp,gas 964.12 J/mol×K 757.67 Calculated Property
Cp,gas 1009.20 J/mol×K 838.44 Calculated Property
Cp,gas 1046.59 J/mol×K 919.22 Calculated Property
Cp,gas 1077.16 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 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, 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 octyl ester.

Sources

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