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

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

InChI
InChI=1S/C17H20F4O4/c1-2-3-4-10-24-15(22)8-9-16(23)25-11-12-13(17(19,20)21)6-5-7-14(12)18/h5-7H,2-4,8-11H2,1H3
InChI Key
GHLPVZJYBKGAJE-UHFFFAOYSA-N
Formula
C17H20F4O4
SMILES
CCCCCOC(=O)CCC(=O)OCc1c(F)cccc1C(F)(F)F
Molecular Weight1
364.33
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Physical Properties

Property Value Unit Source
ΔfusH° 46.69 kJ/mol Joback Calculated Property
ΔvapH° 87.37 kJ/mol Relay (1.0) Calculated Property
log10WS -5.03 Relay (1.0) Calculated Property
logPoct/wat 4.401 Crippen Calculated Property
McVol 248.590 ml/mol McGowan Calculated Property
Inp [2018.00; 2018.00]   Show Hide
Inp 2018.00 NIST
Inp 2018.00 NIST
Tboil 596.42 K Relay (1.0) Calculated Property
Tfus 300.83 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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 [377.97; 817.74] 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 A3.28370e+01
Coefficient B1.48432e+00
Coefficient C-8.46320e-04
Coefficient D1.46900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 377.97 J/mol×K 273.00 Calculated Property
Cp,gas 458.54 J/mol×K 353.78 Calculated Property
Cp,gas 530.09 J/mol×K 434.56 Calculated Property
Cp,gas 593.10 J/mol×K 515.33 Calculated Property
Cp,gas 648.04 J/mol×K 596.11 Calculated Property
Cp,gas 695.35 J/mol×K 676.89 Calculated Property
Cp,gas 735.51 J/mol×K 757.67 Calculated Property
Cp,gas 768.99 J/mol×K 838.44 Calculated Property
Cp,gas 796.24 J/mol×K 919.22 Calculated Property
Cp,gas 817.74 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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