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

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

InChI
InChI=1S/C21H28F4O4/c1-2-3-4-5-6-7-14-28-19(26)12-9-13-20(27)29-15-16-17(21(23,24)25)10-8-11-18(16)22/h8,10-11H,2-7,9,12-15H2,1H3
InChI Key
NTPZJKNEPCALRL-UHFFFAOYSA-N
Formula
C21H28F4O4
SMILES
CCCCCCCCOC(=O)CCCC(=O)OCc1c(F)cccc1C(F)(F)F
Molecular Weight1
420.44
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Physical Properties

Property Value Unit Source
ΔfusH° 57.05 kJ/mol Joback Calculated Property
ΔvapH° 100.47 kJ/mol Relay (1.0) Calculated Property
log10WS -6.18 Relay (1.0) Calculated Property
logPoct/wat 5.962 Crippen Calculated Property
McVol 304.950 ml/mol McGowan Calculated Property
Inp 2634.00 NIST
Tboil 642.30 K Relay (1.0) Calculated Property
Tfus 310.03 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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 [462.82; 1024.10] 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 A2.92010e+01
Coefficient B1.86432e+00
Coefficient C-1.06392e-03
Coefficient D1.94500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 462.82 J/mol×K 273.00 Calculated Property
Cp,gas 564.21 J/mol×K 353.78 Calculated Property
Cp,gas 654.40 J/mol×K 434.56 Calculated Property
Cp,gas 734.02 J/mol×K 515.33 Calculated Property
Cp,gas 803.68 J/mol×K 596.11 Calculated Property
Cp,gas 863.99 J/mol×K 676.89 Calculated Property
Cp,gas 915.58 J/mol×K 757.67 Calculated Property
Cp,gas 959.05 J/mol×K 838.44 Calculated Property
Cp,gas 995.02 J/mol×K 919.22 Calculated Property
Cp,gas 1024.10 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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