Chemical Properties of Glutaric acid, 2-(2-fluorophenyl)ethyl isobutyl ester

Glutaric acid, 2-(2-fluorophenyl)ethyl isobutyl ester

InChI
InChI=1S/C17H23FO4/c1-13(2)12-22-17(20)9-5-8-16(19)21-11-10-14-6-3-4-7-15(14)18/h3-4,6-7,13H,5,8-12H2,1-2H3
InChI Key
TYSQMLPWWZXYPA-UHFFFAOYSA-N
Formula
C17H23FO4
SMILES
CC(C)COC(=O)CCCC(=O)OCCc1ccccc1F
Molecular Weight1
310.36
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Physical Properties

Property Value Unit Source
ΔfH°gas -990.63 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.73 kJ/mol Joback Calculated Property
ΔvapH° 93.41 kJ/mol Relay (1.0) Calculated Property
log10WS -3.93 Relay (1.0) Calculated Property
logPoct/wat 3.281 Crippen Calculated Property
McVol 243.280 ml/mol McGowan Calculated Property
Pc 1524.69 kPa Joback Calculated Property
Inp 2134.00 NIST
Tboil 619.31 K Relay (1.0) Calculated Property
Tc 794.15 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [351.97; 798.64] 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 A2.30560e+01
Coefficient B1.38854e+00
Coefficient C-6.95560e-04
Coefficient D8.26000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 351.97 J/mol×K 273.00 Calculated Property
Cp,gas 430.89 J/mol×K 353.78 Calculated Property
Cp,gas 501.88 J/mol×K 434.56 Calculated Property
Cp,gas 565.20 J/mol×K 515.33 Calculated Property
Cp,gas 621.11 J/mol×K 596.11 Calculated Property
Cp,gas 669.87 J/mol×K 676.89 Calculated Property
Cp,gas 711.74 J/mol×K 757.67 Calculated Property
Cp,gas 746.98 J/mol×K 838.44 Calculated Property
Cp,gas 775.86 J/mol×K 919.22 Calculated Property
Cp,gas 798.64 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2-(2-fluorophenyl)ethyl propyl ester. Sebacic acid, 2-(2-fluorophenyl)ethyl isobutyl ester. Glutaric acid, butyl 2-(2-fluorophenyl)ethyl ester. Glutaric acid, 2-(2-fluorophenyl)ethyl pentyl ester. Sebacic acid, 2-(2-fluorophenyl)ethyl propyl ester. Glutaric acid, 2-(2-fluorophenyl)ethyl hexyl ester. Glutaric acid, 2-(2-fluorophenyl)ethyl heptyl ester. Glutaric acid, di(2-(2-fluorophenyl)ethyl) ester. Glutaric acid, 2-(2-fluorophenyl)ethyl heptadecyl ester. Glutaric acid, 2-(2-fluorophenyl)ethyl octadecyl ester. Glutaric acid, decyl 2-(2-fluorophenyl)ethyl ester. Glutaric acid, dodecyl 2-(2-fluorophenyl)ethyl ester. Glutaric acid, 2-(2-fluorophenyl)ethyl pentadecyl ester. Glutaric acid, 2-(2-fluorophenyl)ethyl tridecyl ester. Glutaric acid, 2-(2-fluorophenyl)ethyl tetradecyl ester.

Find more compounds similar to Glutaric acid, 2-(2-fluorophenyl)ethyl isobutyl ester.

Sources

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