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

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

InChI
InChI=1S/C22H24BrFO4/c1-2-3-4-5-6-13-27-21(25)16-7-9-17(10-8-16)22(26)28-15-18-14-19(24)11-12-20(18)23/h7-12,14H,2-6,13,15H2,1H3
InChI Key
JHZQEVRFNZNUNJ-UHFFFAOYSA-N
Formula
C22H24BrFO4
SMILES
CCCCCCCOC(=O)c1ccc(C(=O)OCc2cc(F)ccc2Br)cc1
Molecular Weight1
451.33
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Physical Properties

Property Value Unit Source
ω 1.0280 Relay (1.0) Calculated Property
ΔfusH° 53.59 kJ/mol Joback Calculated Property
log10WS -7.23 Relay (1.0) Calculated Property
logPoct/wat 6.072 Crippen Calculated Property
McVol 307.470 ml/mol McGowan Calculated Property
Pc 1482.71 kPa Joback Calculated Property
Tboil 697.68 K Relay (1.0) Calculated Property
Tc 925.24 K Relay (1.0) Calculated Property
Tfus 325.95 K Relay (1.0) Calculated Property
Vc 1.117 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 [935.82; 988.71] J/mol×K [989.07; 1218.90] Show Hide
Cp,gas 935.82 J/mol×K 989.07 Joback Calculated Property
Cp,gas 947.67 J/mol×K 1027.37 Joback Calculated Property
Cp,gas 958.24 J/mol×K 1065.68 Joback Calculated Property
Cp,gas 967.58 J/mol×K 1103.98 Joback Calculated Property
Cp,gas 975.75 J/mol×K 1142.29 Joback Calculated Property
Cp,gas 982.77 J/mol×K 1180.59 Joback Calculated Property
Cp,gas 988.71 J/mol×K 1218.90 Joback Calculated Property

Similar Compounds

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

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

Sources

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