Chemical Properties of Terephthalic acid, 2-bromo-5-fluorobenzyl pentyl ester

Terephthalic acid, 2-bromo-5-fluorobenzyl pentyl ester

InChI
InChI=1S/C20H20BrFO4/c1-2-3-4-11-25-19(23)14-5-7-15(8-6-14)20(24)26-13-16-12-17(22)9-10-18(16)21/h5-10,12H,2-4,11,13H2,1H3
InChI Key
GTRPZHHWVYSOGD-UHFFFAOYSA-N
Formula
C20H20BrFO4
SMILES
CCCCCOC(=O)c1ccc(C(=O)OCc2cc(F)ccc2Br)cc1
Molecular Weight1
423.27
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Physical Properties

Property Value Unit Source
ω 0.9447 Relay (1.0) Calculated Property
ΔfusH° 51.57 kJ/mol Joback Calculated Property
log10WS -6.58 Relay (1.0) Calculated Property
logPoct/wat 5.292 Crippen Calculated Property
McVol 279.290 ml/mol McGowan Calculated Property
Pc 1616.77 kPa Joback Calculated Property
Inp [2994.00; 2994.00]   Show Hide
Inp 2994.00 NIST
Inp 2994.00 NIST
Tboil 682.30 K Relay (1.0) Calculated Property
Tc 912.94 K Relay (1.0) Calculated Property
Tfus 320.23 K Relay (1.0) Calculated Property
Vc 1.009 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 [810.73; 862.45] J/mol×K [907.37; 1132.33] Show Hide
Cp,gas 810.73 J/mol×K 907.37 Joback Calculated Property
Cp,gas 822.44 J/mol×K 944.86 Joback Calculated Property
Cp,gas 832.87 J/mol×K 982.36 Joback Calculated Property
Cp,gas 842.04 J/mol×K 1019.85 Joback Calculated Property
Cp,gas 850.00 J/mol×K 1057.34 Joback Calculated Property
Cp,gas 856.79 J/mol×K 1094.84 Joback Calculated Property
Cp,gas 862.45 J/mol×K 1132.33 Joback Calculated Property

Similar Compounds

Terephthalic acid, 2-bromo-5-fluorobenzyl hexyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl heptyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl octyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl butyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl pentyl ester. Terephthalic acid, 2-bromobenzyl pentyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl hexyl ester. Terephthalic acid, 2-bromobenzyl hexyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl dodecyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl octyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl decyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl nonyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl tridecyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl heptyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl undecyl ester.

Find more compounds similar to Terephthalic acid, 2-bromo-5-fluorobenzyl pentyl ester.

Sources

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