Chemical Properties of Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl heptadecyl ester

Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl heptadecyl ester

InChI
InChI=1S/C29H44F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-36-27(34)20-21-28(35)37-23-24-25(29(31,32)33)18-17-19-26(24)30/h17-19H,2-16,20-23H2,1H3
InChI Key
QCPXAIZVCGYFLP-UHFFFAOYSA-N
Formula
C29H44F4O4
SMILES
CCCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1C(F)(F)F
Molecular Weight1
532.65
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Physical Properties

Property Value Unit Source
ΔfusH° 77.77 kJ/mol Joback Calculated Property
ΔvapH° 134.04 kJ/mol Relay (1.0) Calculated Property
log10WS -8.68 Relay (1.0) Calculated Property
logPoct/wat 9.082 Crippen Calculated Property
McVol 417.670 ml/mol McGowan Calculated Property
Pc 673.95 kPa Joback Calculated Property
Inp [3204.00; 3204.00]   Show Hide
Inp 3204.00 NIST
Inp 3204.00 NIST
Tboil 699.55 K Relay (1.0) Calculated Property
Tfus 331.03 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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 [632.53; 1436.83] 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 A2.19290e+01
Coefficient B2.62432e+00
Coefficient C-1.49912e-03
Coefficient D2.89700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 632.53 J/mol×K 273.00 Calculated Property
Cp,gas 775.55 J/mol×K 353.78 Calculated Property
Cp,gas 903.02 J/mol×K 434.56 Calculated Property
Cp,gas 1015.86 J/mol×K 515.33 Calculated Property
Cp,gas 1114.97 J/mol×K 596.11 Calculated Property
Cp,gas 1201.28 J/mol×K 676.89 Calculated Property
Cp,gas 1275.71 J/mol×K 757.67 Calculated Property
Cp,gas 1339.16 J/mol×K 838.44 Calculated Property
Cp,gas 1392.57 J/mol×K 919.22 Calculated Property
Cp,gas 1436.83 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl pentadecyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl octyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl heptyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl hexadecyl ester. Succinic acid, dodecyl 2-fluoro-6-(trifluoromethyl)benzyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl undecyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl nonyl ester. Succinic acid, decyl 2-fluoro-6-(trifluoromethyl)benzyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl tetradecyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl tridecyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl hexyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl pentyl ester. Succinic acid, butyl 2-fluoro-6-(trifluoromethyl)benzyl ester. Glutaric acid, decyl 2-fluoro-6-(trifluoromethyl)benzyl ester. Glutaric acid, dodecyl 2-fluoro-6-(trifluoromethyl)benzyl ester.

Find more compounds similar to Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl heptadecyl ester.

Sources

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