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

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

InChI
InChI=1S/C18H22F4O4/c1-2-3-4-5-11-25-16(23)9-10-17(24)26-12-13-14(18(20,21)22)7-6-8-15(13)19/h6-8H,2-5,9-12H2,1H3
InChI Key
GHJLZLCXRUIBOV-UHFFFAOYSA-N
Formula
C18H22F4O4
SMILES
CCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1C(F)(F)F
Molecular Weight1
378.36
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Physical Properties

Property Value Unit Source
ΔfusH° 49.28 kJ/mol Joback Calculated Property
ΔvapH° 91.14 kJ/mol Relay (1.0) Calculated Property
log10WS -5.42 Relay (1.0) Calculated Property
logPoct/wat 4.791 Crippen Calculated Property
McVol 262.680 ml/mol McGowan Calculated Property
Pc 1279.16 kPa Joback Calculated Property
Inp [2118.00; 2118.00]   Show Hide
Inp 2118.00 NIST
Inp 2118.00 NIST
Tboil 607.56 K Relay (1.0) Calculated Property
Tfus 301.61 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 [399.18; 869.33] 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 A3.19280e+01
Coefficient B1.57932e+00
Coefficient C-9.00720e-04
Coefficient D1.58800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 399.18 J/mol×K 273.00 Calculated Property
Cp,gas 484.95 J/mol×K 353.78 Calculated Property
Cp,gas 561.17 J/mol×K 434.56 Calculated Property
Cp,gas 628.33 J/mol×K 515.33 Calculated Property
Cp,gas 686.95 J/mol×K 596.11 Calculated Property
Cp,gas 737.51 J/mol×K 676.89 Calculated Property
Cp,gas 780.53 J/mol×K 757.67 Calculated Property
Cp,gas 816.50 J/mol×K 838.44 Calculated Property
Cp,gas 845.94 J/mol×K 919.22 Calculated Property
Cp,gas 869.33 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl undecyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl nonyl ester. Succinic acid, dodecyl 2-fluoro-6-(trifluoromethyl)benzyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl heptadecyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl hexadecyl 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 octyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl tridecyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl heptyl ester. Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl pentadecyl 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, 2-fluoro-6-(trifluoromethyl)benzyl nonyl ester.

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

Sources

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