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

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

InChI
InChI=1S/C25H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-15-20-31-22(29)18-19-23(30)32-24(25(26,27)28)21-16-13-12-14-17-21/h12-14,16-17,24H,2-11,15,18-20H2,1H3
InChI Key
CXZQMQMAWHSLHF-UHFFFAOYSA-N
Formula
C25H37F3O4
SMILES
CCCCCCCCCCCCCOC(=O)CCC(=O)OC(c1ccccc1)C(F)(F)F
Molecular Weight1
458.56
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Physical Properties

Property Value Unit Source
ΔfusH° 61.59 kJ/mol Joback Calculated Property
ΔvapH° 118.01 kJ/mol Relay (1.0) Calculated Property
log10WS -6.98 Relay (1.0) Calculated Property
logPoct/wat 7.468 Crippen Calculated Property
McVol 359.540 ml/mol McGowan Calculated Property
Pc 872.74 kPa Joback Calculated Property
Inp [2684.00; 2684.00]   Show Hide
Inp 2684.00 NIST
Inp 2684.00 NIST
Tboil 653.01 K Relay (1.0) Calculated Property
Tfus 308.38 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 [534.07; 1230.01] 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-1.08060e+01
Coefficient B2.35742e+00
Coefficient C-1.40240e-03
Coefficient D2.85800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 534.07 J/mol×K 273.00 Calculated Property
Cp,gas 660.33 J/mol×K 353.78 Calculated Property
Cp,gas 772.25 J/mol×K 434.56 Calculated Property
Cp,gas 870.73 J/mol×K 515.33 Calculated Property
Cp,gas 956.68 J/mol×K 596.11 Calculated Property
Cp,gas 1030.99 J/mol×K 676.89 Calculated Property
Cp,gas 1094.58 J/mol×K 757.67 Calculated Property
Cp,gas 1148.34 J/mol×K 838.44 Calculated Property
Cp,gas 1193.19 J/mol×K 919.22 Calculated Property
Cp,gas 1230.01 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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