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

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

InChI
InChI=1S/C16H19F3O4/c1-2-11-22-13(20)9-6-10-14(21)23-15(16(17,18)19)12-7-4-3-5-8-12/h3-5,7-8,15H,2,6,9-11H2,1H3
InChI Key
GOOZRCSTYXLYLH-UHFFFAOYSA-N
Formula
C16H19F3O4
SMILES
CCCOC(=O)CCCC(=O)OC(c1ccccc1)C(F)(F)F
Molecular Weight1
332.32
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Physical Properties

Property Value Unit Source
ΔfH°gas -1408.31 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 38.28 kJ/mol Joback Calculated Property
ΔvapH° 83.91 kJ/mol Relay (1.0) Calculated Property
log10WS -3.62 Relay (1.0) Calculated Property
logPoct/wat 3.957 Crippen Calculated Property
McVol 232.730 ml/mol McGowan Calculated Property
Pc 1573.45 kPa Joback Calculated Property
Inp 1874.00 NIST
Tboil 572.24 K Relay (1.0) Calculated Property
Tfus 281.50 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [343.14; 765.70] 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-2.62500e+00
Coefficient B1.50242e+00
Coefficient C-9.12800e-04
Coefficient D1.78700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 343.14 J/mol×K 273.00 Calculated Property
Cp,gas 422.57 J/mol×K 353.78 Calculated Property
Cp,gas 492.55 J/mol×K 434.56 Calculated Property
Cp,gas 553.67 J/mol×K 515.33 Calculated Property
Cp,gas 606.48 J/mol×K 596.11 Calculated Property
Cp,gas 651.54 J/mol×K 676.89 Calculated Property
Cp,gas 689.43 J/mol×K 757.67 Calculated Property
Cp,gas 720.71 J/mol×K 838.44 Calculated Property
Cp,gas 745.94 J/mol×K 919.22 Calculated Property
Cp,gas 765.70 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, butyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, pentyl 1-phenyl-2,2,2-trifluoroethyl ester. Sebacic acid, 1-phenyl-2,2,2-trifluoromethylethyl propyl ester. Glutaric acid, ethyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, hexyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, isobutyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, heptyl 1-phenyl-2,2,2-trifluoroethyl ester. Sebacic acid, butyl 1-phenyl-2,2,2-trifluoromethylethyl ester. Glutaric acid, hexadecyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl tridecyl ester. Glutaric acid, octyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl undecyl ester. Glutaric acid, heptadecyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, dodecyl 1-phenyl-2,2,2-trifluoroethyl ester. Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl tetradecyl ester.

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

Sources

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