Chemical Properties of Isophthalic acid, 2-bromo-4-fluorophenyl hexyl ester

Isophthalic acid, 2-bromo-4-fluorophenyl hexyl ester

InChI
InChI=1S/C20H20BrFO4/c1-2-3-4-5-11-25-19(23)14-7-6-8-15(12-14)20(24)26-18-10-9-16(22)13-17(18)21/h6-10,12-13H,2-5,11H2,1H3
InChI Key
BHLOHLJZQKAFNK-UHFFFAOYSA-N
Formula
C20H20BrFO4
SMILES
CCCCCCOC(=O)c1cccc(C(=O)Oc2ccc(F)cc2Br)c1
Molecular Weight1
423.27
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Physical Properties

Property Value Unit Source
ω 0.9694 Relay (1.0) Calculated Property
ΔfusH° 51.57 kJ/mol Joback Calculated Property
log10WS -6.81 Relay (1.0) Calculated Property
logPoct/wat 5.545 Crippen Calculated Property
McVol 279.290 ml/mol McGowan Calculated Property
Pc 1616.77 kPa Joback Calculated Property
Inp [2873.00; 2873.00]   Show Hide
Inp 2873.00 NIST
Inp 2873.00 NIST
Tboil 669.52 K Relay (1.0) Calculated Property
Tc 919.36 K Relay (1.0) Calculated Property
Tfus 310.67 K Relay (1.0) Calculated Property
Vc 1.011 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

Isophthalic acid, 2-bromo-4-fluorophenyl heptyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl nonyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl dodecyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl octyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl pentyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl butyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl isohexyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl propyl ester. Isophthalic acid, 4-bromophenyl hexyl ester. Isophthalic acid, 2-fluorophenyl hexyl ester. Isophthalic acid, 4-bromophenyl nonyl ester. Isophthalic acid, 4-bromophenyl heptyl ester. Isophthalic acid, 4-bromophenyl decyl ester. Isophthalic acid, 4-bromophenyl octyl ester. Isophthalic acid, 2-fluorophenyl pentadecyl ester.

Find more compounds similar to Isophthalic acid, 2-bromo-4-fluorophenyl hexyl ester.

Sources

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