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

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

InChI
InChI=1S/C23H32F4O4/c1-2-3-4-5-6-7-8-9-10-16-30-21(28)14-15-22(29)31-17-18-19(23(25,26)27)12-11-13-20(18)24/h11-13H,2-10,14-17H2,1H3
InChI Key
QPBSTVSAQUBYRM-UHFFFAOYSA-N
Formula
C23H32F4O4
SMILES
CCCCCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1C(F)(F)F
Molecular Weight1
448.49
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Physical Properties

Property Value Unit Source
ΔfusH° 62.23 kJ/mol Joback Calculated Property
ΔvapH° 110.65 kJ/mol Relay (1.0) Calculated Property
log10WS -7.04 Relay (1.0) Calculated Property
logPoct/wat 6.742 Crippen Calculated Property
McVol 333.130 ml/mol McGowan Calculated Property
Pc 931.78 kPa Joback Calculated Property
Inp [2607.00; 2607.00]   Show Hide
Inp 2607.00 NIST
Inp 2607.00 NIST
Tboil 654.78 K Relay (1.0) Calculated Property
Tfus 318.61 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 [505.25; 1127.28] 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 A2.73830e+01
Coefficient B2.05432e+00
Coefficient C-1.17272e-03
Coefficient D2.18300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 505.25 J/mol×K 273.00 Calculated Property
Cp,gas 617.05 J/mol×K 353.78 Calculated Property
Cp,gas 716.56 J/mol×K 434.56 Calculated Property
Cp,gas 804.48 J/mol×K 515.33 Calculated Property
Cp,gas 881.50 J/mol×K 596.11 Calculated Property
Cp,gas 948.32 J/mol×K 676.89 Calculated Property
Cp,gas 1005.61 J/mol×K 757.67 Calculated Property
Cp,gas 1054.08 J/mol×K 838.44 Calculated Property
Cp,gas 1094.40 J/mol×K 919.22 Calculated Property
Cp,gas 1127.28 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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