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

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

InChI
InChI=1S/C19H18BrFO4/c1-12(2)10-24-18(22)13-3-5-14(6-4-13)19(23)25-11-15-9-16(21)7-8-17(15)20/h3-9,12H,10-11H2,1-2H3
InChI Key
YKPAQHFZINEBSK-UHFFFAOYSA-N
Formula
C19H18BrFO4
SMILES
CC(C)COC(=O)c1ccc(C(=O)OCc2cc(F)ccc2Br)cc1
Molecular Weight1
409.25
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Physical Properties

Property Value Unit Source
ΔfusH° 45.46 kJ/mol Joback Calculated Property
log10WS -6.14 Relay (1.0) Calculated Property
logPoct/wat 4.758 Crippen Calculated Property
McVol 265.200 ml/mol McGowan Calculated Property
Inp [2778.00; 2778.00]   Show Hide
Inp 2778.00 NIST
Inp 2778.00 NIST
Tboil 674.01 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [754.69; 806.11] J/mol×K [884.05; 1113.24] Show Hide
Cp,gas 754.69 J/mol×K 884.05 Joback Calculated Property
Cp,gas 766.43 J/mol×K 922.25 Joback Calculated Property
Cp,gas 776.84 J/mol×K 960.45 Joback Calculated Property
Cp,gas 785.98 J/mol×K 998.64 Joback Calculated Property
Cp,gas 793.88 J/mol×K 1036.84 Joback Calculated Property
Cp,gas 800.58 J/mol×K 1075.04 Joback Calculated Property
Cp,gas 806.11 J/mol×K 1113.24 Joback Calculated Property

Similar Compounds

Terephthalic acid, 2-bromo-5-fluorobenzyl propyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl isobutyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl butyl ester. Terephthalic acid, 2-bromobenzyl isobutyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl pentyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl ethyl ester. 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, isobutyl 3-fluorobenzyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl propyl ester. 2-Bromo-5-fluorobenzyl alcohol, 2-methylpropyl ether. Phthalic acid, butyl 2-bromo-5-fluorobenzyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl pentyl ester. Terephthalic acid, isobutyl 2,3,5-trifluorobenzyl ester.

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

Sources

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