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

Succinic acid, hexyl 2-(trifluoromethyl)benzyl ester

InChI
InChI=1S/C18H23F3O4/c1-2-3-4-7-12-24-16(22)10-11-17(23)25-13-14-8-5-6-9-15(14)18(19,20)21/h5-6,8-9H,2-4,7,10-13H2,1H3
InChI Key
WBGNCGUZZBTLQE-UHFFFAOYSA-N
Formula
C18H23F3O4
SMILES
CCCCCCOC(=O)CCC(=O)OCc1ccccc1C(F)(F)F
Molecular Weight1
360.37
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Physical Properties

Property Value Unit Source
ΔfusH° 46.59 kJ/mol Joback Calculated Property
ΔvapH° 90.30 kJ/mol Relay (1.0) Calculated Property
log10WS -4.85 Relay (1.0) Calculated Property
logPoct/wat 4.652 Crippen Calculated Property
McVol 260.910 ml/mol McGowan Calculated Property
Pc 1335.88 kPa Joback Calculated Property
Inp [2120.00; 2120.00]   Show Hide
Inp 2120.00 NIST
Inp 2120.00 NIST
Tboil 608.28 K Relay (1.0) Calculated Property
Tfus 285.27 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 [388.43; 865.30] 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 A1.15380e+01
Coefficient B1.62702e+00
Coefficient C-9.51360e-04
Coefficient D1.78100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 388.43 J/mol×K 273.00 Calculated Property
Cp,gas 475.96 J/mol×K 353.78 Calculated Property
Cp,gas 553.53 J/mol×K 434.56 Calculated Property
Cp,gas 621.72 J/mol×K 515.33 Calculated Property
Cp,gas 681.08 J/mol×K 596.11 Calculated Property
Cp,gas 732.19 J/mol×K 676.89 Calculated Property
Cp,gas 775.60 J/mol×K 757.67 Calculated Property
Cp,gas 811.88 J/mol×K 838.44 Calculated Property
Cp,gas 841.59 J/mol×K 919.22 Calculated Property
Cp,gas 865.30 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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