Chemical Properties of Terephthalic acid, isobutyl 2-fluorophenethyl ester

Terephthalic acid, isobutyl 2-fluorophenethyl ester

InChI
InChI=1S/C20H21FO4/c1-14(2)13-25-20(23)17-9-7-16(8-10-17)19(22)24-12-11-15-5-3-4-6-18(15)21/h3-10,14H,11-13H2,1-2H3
InChI Key
GJFZYHRYUGGCHI-UHFFFAOYSA-N
Formula
C20H21FO4
SMILES
CC(C)COC(=O)c1ccc(C(=O)OCCc2ccccc2F)cc1
Molecular Weight1
344.38
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Physical Properties

Property Value Unit Source
ω 0.8663 Relay (1.0) Calculated Property
ΔfusH° 43.15 kJ/mol Joback Calculated Property
log10WS -5.36 Relay (1.0) Calculated Property
logPoct/wat 4.038 Crippen Calculated Property
McVol 261.790 ml/mol McGowan Calculated Property
Pc 1558.58 kPa Joback Calculated Property
Inp [2587.00; 2587.00]   Show Hide
Inp 2587.00 NIST
Inp 2587.00 NIST
Tboil 663.48 K Relay (1.0) Calculated Property
Tc 887.97 K Relay (1.0) Calculated Property
Tfus 322.93 K Relay (1.0) Calculated Property
Vc 0.965 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [778.35; 843.52] J/mol×K [835.79; 1052.67] Show Hide
Cp,gas 778.35 J/mol×K 835.79 Joback Calculated Property
Cp,gas 792.44 J/mol×K 871.94 Joback Calculated Property
Cp,gas 805.20 J/mol×K 908.08 Joback Calculated Property
Cp,gas 816.65 J/mol×K 944.23 Joback Calculated Property
Cp,gas 826.83 J/mol×K 980.37 Joback Calculated Property
Cp,gas 835.78 J/mol×K 1016.52 Joback Calculated Property
Cp,gas 843.52 J/mol×K 1052.67 Joback Calculated Property

Similar Compounds

Terephthalic acid, 2-fluorophenethyl propyl ester. Terephthalic acid, butyl 2-fluorophenethyl ester. Phthalic acid, 2-(2-fluorophenyl)ethyl isobutyl ester. Terephthalic acid, ethyl 2-fluorophenethyl ester. Terephthalic acid, di(2-fluorophenethyl) ester. Terephthalic acid, 2-fluorophenethyl pentyl ester. Terephthalic acid, hexyl 2-fluorophenethyl ester. Phthalic acid, 2-(2-fluorophenyl)ethyl propyl ester. Terephthalic acid, heptyl 2-fluorophenethyl ester. Terephthalic acid, 2-fluorophenethyl octyl ester. Phthalic acid, butyl 2-(2-fluorophenyl)ethyl ester. Terephthalic acid, isobutyl 4-fluorophenethyl ester. Phthalic acid, 2-(2-fluorophenyl)ethyl pentyl ester. Phthalic acid, ethyl 2-(2-fluorophenyl)ethyl ester. Phthalic acid, 2-(2-fluorophenyl)ethyl hexyl ester.

Find more compounds similar to Terephthalic acid, isobutyl 2-fluorophenethyl ester.

Sources

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