Chemical Properties of Terephthalic acid, 4-fluoro-2-methoxyphenyl hexyl ester

Terephthalic acid, 4-fluoro-2-methoxyphenyl hexyl ester

InChI
InChI=1S/C21H23FO5/c1-3-4-5-6-13-26-20(23)15-7-9-16(10-8-15)21(24)27-18-12-11-17(22)14-19(18)25-2/h7-12,14H,3-6,13H2,1-2H3
InChI Key
SMMGRRLBOVTRIW-UHFFFAOYSA-N
Formula
C21H23FO5
SMILES
CCCCCCOC(=O)c1ccc(C(=O)Oc2ccc(F)cc2OC)cc1
Molecular Weight1
374.41
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Physical Properties

Property Value Unit Source
ω 1.0227 Relay (1.0) Calculated Property
ΔfusH° 50.07 kJ/mol Joback Calculated Property
log10WS -5.73 Relay (1.0) Calculated Property
logPoct/wat 4.791 Crippen Calculated Property
McVol 281.750 ml/mol McGowan Calculated Property
Pc 1403.79 kPa Joback Calculated Property
Inp [2975.00; 2975.00]   Show Hide
Inp 2975.00 NIST
Inp 2975.00 NIST
Tboil 671.48 K Relay (1.0) Calculated Property
Tc 910.15 K Relay (1.0) Calculated Property
Tfus 326.09 K Relay (1.0) Calculated Property
Vc 1.044 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 [861.33; 919.52] J/mol×K [886.51; 1100.71] Show Hide
Cp,gas 861.33 J/mol×K 886.51 Joback Calculated Property
Cp,gas 874.50 J/mol×K 922.21 Joback Calculated Property
Cp,gas 886.27 J/mol×K 957.91 Joback Calculated Property
Cp,gas 896.64 J/mol×K 993.61 Joback Calculated Property
Cp,gas 905.63 J/mol×K 1029.31 Joback Calculated Property
Cp,gas 913.26 J/mol×K 1065.01 Joback Calculated Property
Cp,gas 919.52 J/mol×K 1100.71 Joback Calculated Property

Similar Compounds

Terephthalic acid, 4-fluoro-2-methoxyphenyl nonyl ester. Terephthalic acid, 4-fluoro-2-methoxyphenyl heptyl ester. Terephthalic acid, decyl 4-fluoro-2-methoxyphenyl ester. Terephthalic acid, 4-fluoro-2-methoxyphenyl octyl ester. Terephthalic acid, 4-fluoro-2-methoxyphenyl pentyl ester. Terephthalic acid, butyl 4-fluoro-2-methoxyphenyl ester. Terephthalic acid, 4-fluoro-2-methoxyphenyl propyl ester. Isophthalic acid, 3-fluorophenyl undecyl ester. Isophthalic acid, dodecyl 3-fluorophenyl ester. Isophthalic acid, 3-fluorophenyl heptyl ester. Isophthalic acid, 3-fluorophenyl pentadecyl ester. Isophthalic acid, 3-fluorophenyl hexyl ester. Isophthalic acid, 2,6-dimethoxyphenyl hexyl ester. Terephthalic acid, nonyl 2,3,4-trifluorophenyl ester. Terephthalic acid, octyl 2,3,4-trifluorophenyl ester.

Find more compounds similar to Terephthalic acid, 4-fluoro-2-methoxyphenyl hexyl ester.

Sources

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