Chemical Properties of Diethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester

Diethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester

InChI
InChI=1S/C19H25F3O4/c1-4-7-8-9-12-25-17(23)19(5-2,6-3)18(24)26-14-11-10-13(20)15(21)16(14)22/h10-11H,4-9,12H2,1-3H3
InChI Key
BMLTVSLHAFVISG-UHFFFAOYSA-N
Formula
C19H25F3O4
SMILES
CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
374.39
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Physical Properties

Property Value Unit Source
ΔfusH° 48.40 kJ/mol Joback Calculated Property
log10WS -5.88 Relay (1.0) Calculated Property
logPoct/wat 4.939 Crippen Calculated Property
McVol 275.000 ml/mol McGowan Calculated Property
Pc 1220.85 kPa Joback Calculated Property
Inp [1989.00; 1989.00]   Show Hide
Inp 1989.00 NIST
Inp 1989.00 NIST
Tboil 591.39 K Relay (1.0) Calculated Property
Tfus 290.46 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [414.75; 910.81] 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 A3.92270e+01
Coefficient B1.60306e+00
Coefficient C-8.71680e-04
Coefficient D1.40200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 414.75 J/mol×K 273.00 Calculated Property
Cp,gas 503.46 J/mol×K 353.78 Calculated Property
Cp,gas 582.74 J/mol×K 434.56 Calculated Property
Cp,gas 653.03 J/mol×K 515.33 Calculated Property
Cp,gas 714.78 J/mol×K 596.11 Calculated Property
Cp,gas 768.42 J/mol×K 676.89 Calculated Property
Cp,gas 814.40 J/mol×K 757.67 Calculated Property
Cp,gas 853.16 J/mol×K 838.44 Calculated Property
Cp,gas 885.15 J/mol×K 919.22 Calculated Property
Cp,gas 910.81 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, hexadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, octyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, decyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, tetradecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, 2,3,4-trifluorophenyl undecyl ester. Diethylmalonic acid, nonyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, pentadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, tridecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, heptadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, octadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, butyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, propyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, 3-fluorophenyl hexyl ester.

Find more compounds similar to Diethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester.

Sources

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