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

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

InChI
InChI=1S/C25H37F3O4/c1-4-7-8-9-10-11-12-13-14-15-18-31-23(29)25(5-2,6-3)24(30)32-20-17-16-19(26)21(27)22(20)28/h16-17H,4-15,18H2,1-3H3
InChI Key
KIRMRXVJJZSKBJ-UHFFFAOYSA-N
Formula
C25H37F3O4
SMILES
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
458.55
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Physical Properties

Property Value Unit Source
ΔfusH° 63.94 kJ/mol Joback Calculated Property
log10WS -7.62 Relay (1.0) Calculated Property
logPoct/wat 7.280 Crippen Calculated Property
McVol 359.540 ml/mol McGowan Calculated Property
Pc 846.03 kPa Joback Calculated Property
Inp [2580.00; 2580.00]   Show Hide
Inp 2580.00 NIST
Inp 2580.00 NIST
Tboil 643.56 K Relay (1.0) Calculated Property
Tfus 306.68 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 [542.03; 1220.35] 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 A3.37730e+01
Coefficient B2.17306e+00
Coefficient C-1.19808e-03
Coefficient D2.11600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 542.03 J/mol×K 273.00 Calculated Property
Cp,gas 661.97 J/mol×K 353.78 Calculated Property
Cp,gas 769.21 J/mol×K 434.56 Calculated Property
Cp,gas 864.41 J/mol×K 515.33 Calculated Property
Cp,gas 948.24 J/mol×K 596.11 Calculated Property
Cp,gas 1021.38 J/mol×K 676.89 Calculated Property
Cp,gas 1084.49 J/mol×K 757.67 Calculated Property
Cp,gas 1138.25 J/mol×K 838.44 Calculated Property
Cp,gas 1183.31 J/mol×K 919.22 Calculated Property
Cp,gas 1220.35 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

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