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

Succinic acid, decyl 2-(trifluoromethyl)benzyl ester

InChI
InChI=1S/C22H31F3O4/c1-2-3-4-5-6-7-8-11-16-28-20(26)14-15-21(27)29-17-18-12-9-10-13-19(18)22(23,24)25/h9-10,12-13H,2-8,11,14-17H2,1H3
InChI Key
MXOSDOGPDMGONS-UHFFFAOYSA-N
Formula
C22H31F3O4
SMILES
CCCCCCCCCCOC(=O)CCC(=O)OCc1ccccc1C(F)(F)F
Molecular Weight1
416.47
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Physical Properties

Property Value Unit Source
ΔfusH° 56.95 kJ/mol Joback Calculated Property
ΔvapH° 105.45 kJ/mol Relay (1.0) Calculated Property
log10WS -6.21 Relay (1.0) Calculated Property
logPoct/wat 6.213 Crippen Calculated Property
McVol 317.270 ml/mol McGowan Calculated Property
Pc 1027.28 kPa Joback Calculated Property
Inp [2515.00; 2515.00]   Show Hide
Inp 2515.00 NIST
Inp 2515.00 NIST
Tboil 645.51 K Relay (1.0) Calculated Property
Tfus 299.71 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 [473.29; 1071.66] 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 A7.90200e+00
Coefficient B2.00702e+00
Coefficient C-1.16896e-03
Coefficient D2.25700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 473.29 J/mol×K 273.00 Calculated Property
Cp,gas 581.63 J/mol×K 353.78 Calculated Property
Cp,gas 677.84 J/mol×K 434.56 Calculated Property
Cp,gas 762.64 J/mol×K 515.33 Calculated Property
Cp,gas 836.73 J/mol×K 596.11 Calculated Property
Cp,gas 900.84 J/mol×K 676.89 Calculated Property
Cp,gas 955.67 J/mol×K 757.67 Calculated Property
Cp,gas 1001.94 J/mol×K 838.44 Calculated Property
Cp,gas 1040.37 J/mol×K 919.22 Calculated Property
Cp,gas 1071.66 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, tetradecyl 2-(trifluoromethyl)benzyl ester. Succinic acid, hexyl 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, decyl 2-(trifluoromethyl)benzyl ester.

Sources

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