Chemical Properties of Glutaric acid, hexyl 1-phenyl-2,2,2-trifluoroethyl ester

Glutaric acid, hexyl 1-phenyl-2,2,2-trifluoroethyl ester

InChI
InChI=1S/C19H25F3O4/c1-2-3-4-8-14-25-16(23)12-9-13-17(24)26-18(19(20,21)22)15-10-6-5-7-11-15/h5-7,10-11,18H,2-4,8-9,12-14H2,1H3
InChI Key
WNANFOOTMKQXMW-UHFFFAOYSA-N
Formula
C19H25F3O4
SMILES
CCCCCCOC(=O)CCCC(=O)OC(c1ccccc1)C(F)(F)F
Molecular Weight1
374.39
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Physical Properties

Property Value Unit Source
ΔfH°gas -1464.71 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 46.05 kJ/mol Joback Calculated Property
ΔvapH° 94.06 kJ/mol Relay (1.0) Calculated Property
log10WS -4.80 Relay (1.0) Calculated Property
logPoct/wat 5.127 Crippen Calculated Property
McVol 275.000 ml/mol McGowan Calculated Property
Pc 1267.35 kPa Joback Calculated Property
Inp 2179.00 NIST
Tboil 606.44 K Relay (1.0) Calculated Property
Tc 784.76 K Relay (1.0) Calculated Property
Tfus 282.82 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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 [406.78; 920.47] 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 A-5.35200e+00
Coefficient B1.78742e+00
Coefficient C-1.07600e-03
Coefficient D2.14400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 406.78 J/mol×K 273.00 Calculated Property
Cp,gas 501.82 J/mol×K 353.78 Calculated Property
Cp,gas 585.78 J/mol×K 434.56 Calculated Property
Cp,gas 659.36 J/mol×K 515.33 Calculated Property
Cp,gas 723.21 J/mol×K 596.11 Calculated Property
Cp,gas 778.03 J/mol×K 676.89 Calculated Property
Cp,gas 824.48 J/mol×K 757.67 Calculated Property
Cp,gas 863.26 J/mol×K 838.44 Calculated Property
Cp,gas 895.02 J/mol×K 919.22 Calculated Property
Cp,gas 920.47 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, heptyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, decyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, hexadecyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, octadecyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl tridecyl ester. Glutaric acid, nonyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, octyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl tetradecyl ester. Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl undecyl ester. Glutaric acid, heptadecyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, pentadecyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, dodecyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, pentyl 1-phenyl-2,2,2-trifluoroethyl ester. Sebacic acid, hexadecyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Sebacic acid, undecyl 1-phenyl-2,2,2-trifluoromethylethyl ester.

Find more compounds similar to Glutaric acid, hexyl 1-phenyl-2,2,2-trifluoroethyl ester.

Sources

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