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

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

InChI
InChI=1S/C20H26F4O4/c1-2-3-4-5-6-7-13-27-18(25)11-12-19(26)28-14-15-16(20(22,23)24)9-8-10-17(15)21/h8-10H,2-7,11-14H2,1H3
InChI Key
UTXRYTHMBWTBOZ-UHFFFAOYSA-N
Formula
C20H26F4O4
SMILES
CCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1C(F)(F)F
Molecular Weight1
406.41
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Physical Properties

Property Value Unit Source
ΔfusH° 54.46 kJ/mol Joback Calculated Property
ΔvapH° 98.21 kJ/mol Relay (1.0) Calculated Property
log10WS -6.14 Relay (1.0) Calculated Property
logPoct/wat 5.572 Crippen Calculated Property
McVol 290.860 ml/mol McGowan Calculated Property
Pc 1120.05 kPa Joback Calculated Property
Inp [2315.00; 2315.00]   Show Hide
Inp 2315.00 NIST
Inp 2315.00 NIST
Tboil 628.05 K Relay (1.0) Calculated Property
Tfus 309.04 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 [441.61; 972.51] 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 A3.01100e+01
Coefficient B1.76932e+00
Coefficient C-1.00952e-03
Coefficient D1.82600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 441.61 J/mol×K 273.00 Calculated Property
Cp,gas 537.79 J/mol×K 353.78 Calculated Property
Cp,gas 623.33 J/mol×K 434.56 Calculated Property
Cp,gas 698.79 J/mol×K 515.33 Calculated Property
Cp,gas 764.77 J/mol×K 596.11 Calculated Property
Cp,gas 821.83 J/mol×K 676.89 Calculated Property
Cp,gas 870.56 J/mol×K 757.67 Calculated Property
Cp,gas 911.53 J/mol×K 838.44 Calculated Property
Cp,gas 945.32 J/mol×K 919.22 Calculated Property
Cp,gas 972.51 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 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 undecyl 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 octyl ester.

Sources

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