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

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

InChI
InChI=1S/C27H41F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-33-25(31)27(5-2,6-3)26(32)34-22-19-18-21(28)23(29)24(22)30/h18-19H,4-17,20H2,1-3H3
InChI Key
ZZBWJACHPJFFGM-UHFFFAOYSA-N
Formula
C27H41F3O4
SMILES
CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
486.61
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Physical Properties

Property Value Unit Source
ΔfusH° 69.12 kJ/mol Joback Calculated Property
log10WS -8.17 Relay (1.0) Calculated Property
logPoct/wat 8.060 Crippen Calculated Property
McVol 387.720 ml/mol McGowan Calculated Property
Pc 758.90 kPa Joback Calculated Property
Inp [2794.00; 2794.00]   Show Hide
Inp 2794.00 NIST
Inp 2794.00 NIST
Tboil 658.59 K Relay (1.0) Calculated Property
Tfus 311.09 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 [584.46; 1323.53] 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 A3.19550e+01
Coefficient B2.36306e+00
Coefficient C-1.30688e-03
Coefficient D2.35400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 584.46 J/mol×K 273.00 Calculated Property
Cp,gas 714.81 J/mol×K 353.78 Calculated Property
Cp,gas 831.36 J/mol×K 434.56 Calculated Property
Cp,gas 934.87 J/mol×K 515.33 Calculated Property
Cp,gas 1026.07 J/mol×K 596.11 Calculated Property
Cp,gas 1105.71 J/mol×K 676.89 Calculated Property
Cp,gas 1174.53 J/mol×K 757.67 Calculated Property
Cp,gas 1233.28 J/mol×K 838.44 Calculated Property
Cp,gas 1282.70 J/mol×K 919.22 Calculated Property
Cp,gas 1323.53 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, dodecyl 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, tetradecyl 2,3,4-trifluorophenyl ester.

Sources

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