Chemical Properties of Glutaric acid, 2-(4-fluorophenyl)ethyl isobutyl ester

Glutaric acid, 2-(4-fluorophenyl)ethyl isobutyl ester

InChI
InChI=1S/C17H23FO4/c1-13(2)12-22-17(20)5-3-4-16(19)21-11-10-14-6-8-15(18)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3
InChI Key
KVYKNOBTWVGQRV-UHFFFAOYSA-N
Formula
C17H23FO4
SMILES
CC(C)COC(=O)CCCC(=O)OCCc1ccc(F)cc1
Molecular Weight1
310.36
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Physical Properties

Property Value Unit Source
ΔfH°gas -996.30 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.73 kJ/mol Joback Calculated Property
ΔvapH° 94.16 kJ/mol Relay (1.0) Calculated Property
IE 8.73 eV 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 2144.00 NIST
Tboil 624.51 K Relay (1.0) Calculated Property
Tc 793.99 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [700.92; 778.64] J/mol×K [735.49; 928.02] Show Hide
Cp,gas 700.92 J/mol×K 735.49 Joback Calculated Property
Cp,gas 716.42 J/mol×K 767.58 Joback Calculated Property
Cp,gas 730.88 J/mol×K 799.67 Joback Calculated Property
Cp,gas 744.31 J/mol×K 831.76 Joback Calculated Property
Cp,gas 756.74 J/mol×K 863.85 Joback Calculated Property
Cp,gas 768.18 J/mol×K 895.94 Joback Calculated Property
Cp,gas 778.64 J/mol×K 928.02 Joback Calculated Property

Similar Compounds

Glutaric acid, 2-(4-fluorophenyl)ethyl propyl ester. Glutaric acid, butyl 2-(4-fluorophenyl)ethyl ester. Glutaric acid, isobutyl phenethyl ester. Glutaric acid, 2-(4-fluorophenyl)ethyl pentyl ester. Glutaric acid, 2-(4-fluorophenyl)ethyl hexyl ester. Glutaric acid, 2-(4-fluorophenyl)ethyl heptyl ester. Glutaric acid, 2-(4-fluorophenyl)ethyl hexadecyl ester. Glutaric acid, dodecyl 2-(4-fluorophenyl)ethyl ester. Glutaric acid, 2-(4-fluorophenyl)ethyl tridecyl ester. Glutaric acid, decyl 2-(4-fluorophenyl)ethyl ester. Glutaric acid, 2-(4-fluorophenyl)ethyl octadecyl ester. Glutaric acid, 2-(4-fluorophenyl)ethyl pentadecyl ester. Glutaric acid, 2-(4-fluorophenyl)ethyl octyl ester. Glutaric acid, 2-(4-fluorophenyl)ethyl heptadecyl ester. Glutaric acid, 2-(4-fluorophenyl)ethyl undecyl ester.

Find more compounds similar to Glutaric acid, 2-(4-fluorophenyl)ethyl isobutyl ester.

Sources

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