Chemical Properties of Succinic acid, hexyl 1-phenyl-2,2,2-trifluoroethyl ester

Succinic acid, hexyl 1-phenyl-2,2,2-trifluoroethyl ester

InChI
InChI=1S/C18H23F3O4/c1-2-3-4-8-13-24-15(22)11-12-16(23)25-17(18(19,20)21)14-9-6-5-7-10-14/h5-7,9-10,17H,2-4,8,11-13H2,1H3
InChI Key
IMDBHNUTLKCODZ-UHFFFAOYSA-N
Formula
C18H23F3O4
SMILES
CCCCCCOC(=O)CCC(=O)OC(c1ccccc1)C(F)(F)F
Molecular Weight1
360.37
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Physical Properties

Property Value Unit Source
ΔfusH° 43.46 kJ/mol Joback Calculated Property
ΔvapH° 91.29 kJ/mol Relay (1.0) Calculated Property
log10WS -4.73 Relay (1.0) Calculated Property
logPoct/wat 4.737 Crippen Calculated Property
McVol 260.910 ml/mol McGowan Calculated Property
Pc 1358.63 kPa Joback Calculated Property
Inp [1995.00; 1995.00]   Show Hide
Inp 1995.00 NIST
Inp 1995.00 NIST
Tboil 590.66 K Relay (1.0) Calculated Property
Tfus 285.58 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 [385.57; 868.88] 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 A-4.44300e+00
Coefficient B1.69242e+00
Coefficient C-1.02160e-03
Coefficient D2.02500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 385.57 J/mol×K 273.00 Calculated Property
Cp,gas 475.40 J/mol×K 353.78 Calculated Property
Cp,gas 554.71 J/mol×K 434.56 Calculated Property
Cp,gas 624.13 J/mol×K 515.33 Calculated Property
Cp,gas 684.30 J/mol×K 596.11 Calculated Property
Cp,gas 735.86 J/mol×K 676.89 Calculated Property
Cp,gas 779.47 J/mol×K 757.67 Calculated Property
Cp,gas 815.74 J/mol×K 838.44 Calculated Property
Cp,gas 845.33 J/mol×K 919.22 Calculated Property
Cp,gas 868.88 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, pentadecyl 1-phenyl-2,2,2-trifluoroethyl ester. Succinic acid, nonyl 1-phenyl-2,2,2-trifluoroethyl ester. Succinic acid, heptyl 1-phenyl-2,2,2-trifluoroethyl ester. Succinic acid, 1-phenyl-2,2,2-trifluoroethyl tridecyl ester. Succinic acid, 1-phenyl-2,2,2-trifluoroethyl undecyl ester. Succinic acid, 1-phenyl-2,2,2-trifluoroethyl tetradecyl ester. Succinic acid, decyl 1-phenyl-2,2,2-trifluoroethyl ester. Succinic acid, octyl 1-phenyl-2,2,2-trifluoroethyl ester. Succinic acid, hexadecyl 1-phenyl-2,2,2-trifluoroethyl ester. Succinic acid, dodecyl 1-phenyl-2,2,2-trifluoroethyl ester. Succinic acid, pentyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, pentadecyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, octyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl tetradecyl ester. Glutaric acid, decyl 1-phenyl-2,2,2-trifluoroethyl ester.

Find more compounds similar to Succinic acid, hexyl 1-phenyl-2,2,2-trifluoroethyl ester.

Sources

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