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

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

InChI
InChI=1S/C17H21F3O4/c1-12(2)11-23-14(21)9-6-10-15(22)24-16(17(18,19)20)13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3
InChI Key
QHMPUGJSGBEDQH-UHFFFAOYSA-N
Formula
C17H21F3O4
SMILES
CC(C)COC(=O)CCCC(=O)OC(c1ccccc1)C(F)(F)F
Molecular Weight1
346.34
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Physical Properties

Property Value Unit Source
ΔfH°gas -1446.97 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.34 kJ/mol Joback Calculated Property
ΔvapH° 85.62 kJ/mol Relay (1.0) Calculated Property
log10WS -3.98 Relay (1.0) Calculated Property
logPoct/wat 4.203 Crippen Calculated Property
McVol 246.820 ml/mol McGowan Calculated Property
Inp 1929.00 NIST
Tboil 580.89 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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 [364.04; 817.82] 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-5.21600e+00
Coefficient B1.60334e+00
Coefficient C-9.70400e-04
Coefficient D1.90100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 364.04 J/mol×K 273.00 Calculated Property
Cp,gas 448.97 J/mol×K 353.78 Calculated Property
Cp,gas 523.88 J/mol×K 434.56 Calculated Property
Cp,gas 589.35 J/mol×K 515.33 Calculated Property
Cp,gas 645.99 J/mol×K 596.11 Calculated Property
Cp,gas 694.41 J/mol×K 676.89 Calculated Property
Cp,gas 735.20 J/mol×K 757.67 Calculated Property
Cp,gas 768.96 J/mol×K 838.44 Calculated Property
Cp,gas 796.30 J/mol×K 919.22 Calculated Property
Cp,gas 817.82 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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