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

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

InChI
InChI=1S/C18H22F4O4/c1-4-7-11-25-15(23)17(5-2,6-3)16(24)26-13-10-8-9-12(14(13)19)18(20,21)22/h8-10H,4-7,11H2,1-3H3
InChI Key
FRPQXLSHSUMHID-UHFFFAOYSA-N
Formula
C18H22F4O4
SMILES
CCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C(F)(F)F)c1F
Molecular Weight1
378.36
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Physical Properties

Property Value Unit Source
ΔfusH° 41.87 kJ/mol Joback Calculated Property
logPoct/wat 4.900 Crippen Calculated Property
McVol 262.680 ml/mol McGowan Calculated Property
Inp [1824.00; 1824.00]   Show Hide
Inp 1824.00 NIST
Inp 1824.00 NIST
Tboil 579.25 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 [397.72; 870.80] 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 A7.45500e+00
Coefficient B1.70516e+00
Coefficient C-1.07252e-03
Coefficient D2.30700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 397.72 J/mol×K 273.00 Calculated Property
Cp,gas 486.68 J/mol×K 353.78 Calculated Property
Cp,gas 564.84 J/mol×K 434.56 Calculated Property
Cp,gas 632.93 J/mol×K 515.33 Calculated Property
Cp,gas 691.67 J/mol×K 596.11 Calculated Property
Cp,gas 741.80 J/mol×K 676.89 Calculated Property
Cp,gas 784.05 J/mol×K 757.67 Calculated Property
Cp,gas 819.15 J/mol×K 838.44 Calculated Property
Cp,gas 847.82 J/mol×K 919.22 Calculated Property
Cp,gas 870.80 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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