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

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

InChI
InChI=1S/C23H26BrFO4/c1-2-3-4-5-6-7-14-28-22(26)17-8-10-18(11-9-17)23(27)29-16-19-15-20(25)12-13-21(19)24/h8-13,15H,2-7,14,16H2,1H3
InChI Key
KHRKTXXDYAXNLY-UHFFFAOYSA-N
Formula
C23H26BrFO4
SMILES
CCCCCCCCOC(=O)c1ccc(C(=O)OCc2cc(F)ccc2Br)cc1
Molecular Weight1
465.35
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Physical Properties

Property Value Unit Source
ω 1.0685 Relay (1.0) Calculated Property
ΔfusH° 56.18 kJ/mol Joback Calculated Property
log10WS -7.54 Relay (1.0) Calculated Property
logPoct/wat 6.463 Crippen Calculated Property
McVol 321.560 ml/mol McGowan Calculated Property
Pc 1378.88 kPa Joback Calculated Property
Inp [2740.00; 2740.00]   Show Hide
Inp 2740.00 NIST
Inp 2740.00 NIST
Tboil 704.76 K Relay (1.0) Calculated Property
Tc 931.73 K Relay (1.0) Calculated Property
Tfus 326.97 K Relay (1.0) Calculated Property
Vc 1.172 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 [994.91; 1047.95] J/mol×K [1011.95; 1243.40] Show Hide
Cp,gas 994.91 J/mol×K 1011.95 Joback Calculated Property
Cp,gas 1006.86 J/mol×K 1050.52 Joback Calculated Property
Cp,gas 1017.50 J/mol×K 1089.10 Joback Calculated Property
Cp,gas 1026.88 J/mol×K 1127.67 Joback Calculated Property
Cp,gas 1035.04 J/mol×K 1166.25 Joback Calculated Property
Cp,gas 1042.05 J/mol×K 1204.82 Joback Calculated Property
Cp,gas 1047.95 J/mol×K 1243.40 Joback Calculated Property

Similar Compounds

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

Sources

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