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

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

InChI
InChI=1S/C18H22F4O4/c1-5-17(6-2,15(23)25-10-11(3)4)16(24)26-13-9-7-8-12(14(13)19)18(20,21)22/h7-9,11H,5-6,10H2,1-4H3
InChI Key
FONRTWNEKXNCDV-UHFFFAOYSA-N
Formula
C18H22F4O4
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1cccc(C(F)(F)F)c1F
Molecular Weight1
378.36
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Physical Properties

Property Value Unit Source
ΔfusH° 38.35 kJ/mol Joback Calculated Property
logPoct/wat 4.756 Crippen Calculated Property
McVol 262.680 ml/mol McGowan Calculated Property
Inp [1789.00; 1789.00]   Show Hide
Inp 1789.00 NIST
Inp 1789.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [397.41; 871.33] 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 A5.77300e+00
Coefficient B1.71108e+00
Coefficient C-1.07572e-03
Coefficient D2.30200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 397.41 J/mol×K 273.00 Calculated Property
Cp,gas 486.67 J/mol×K 353.78 Calculated Property
Cp,gas 565.09 J/mol×K 434.56 Calculated Property
Cp,gas 633.38 J/mol×K 515.33 Calculated Property
Cp,gas 692.27 J/mol×K 596.11 Calculated Property
Cp,gas 742.51 J/mol×K 676.89 Calculated Property
Cp,gas 784.80 J/mol×K 757.67 Calculated Property
Cp,gas 819.88 J/mol×K 838.44 Calculated Property
Cp,gas 848.48 J/mol×K 919.22 Calculated Property
Cp,gas 871.33 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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