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

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

InChI
InChI=1S/C19H18BrFO4/c1-2-3-4-10-24-18(22)13-6-5-7-14(11-13)19(23)25-17-9-8-15(21)12-16(17)20/h5-9,11-12H,2-4,10H2,1H3
InChI Key
VRGOEGONJGYWCG-UHFFFAOYSA-N
Formula
C19H18BrFO4
SMILES
CCCCCOC(=O)c1cccc(C(=O)Oc2ccc(F)cc2Br)c1
Molecular Weight1
409.25
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Physical Properties

Property Value Unit Source
ω 0.9267 Relay (1.0) Calculated Property
ΔfusH° 48.98 kJ/mol Joback Calculated Property
log10WS -6.47 Relay (1.0) Calculated Property
logPoct/wat 5.154 Crippen Calculated Property
McVol 265.200 ml/mol McGowan Calculated Property
Pc 1749.21 kPa Joback Calculated Property
Inp [2769.00; 2769.00]   Show Hide
Inp 2769.00 NIST
Inp 2769.00 NIST
Tboil 661.62 K Relay (1.0) Calculated Property
Tc 912.04 K Relay (1.0) Calculated Property
Tfus 312.19 K Relay (1.0) Calculated Property
Vc 0.957 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 [754.13; 805.53] J/mol×K [884.49; 1110.79] Show Hide
Cp,gas 754.13 J/mol×K 884.49 Joback Calculated Property
Cp,gas 765.75 J/mol×K 922.21 Joback Calculated Property
Cp,gas 776.10 J/mol×K 959.92 Joback Calculated Property
Cp,gas 785.21 J/mol×K 997.64 Joback Calculated Property
Cp,gas 793.13 J/mol×K 1035.36 Joback Calculated Property
Cp,gas 799.89 J/mol×K 1073.07 Joback Calculated Property
Cp,gas 805.53 J/mol×K 1110.79 Joback Calculated Property

Similar Compounds

Isophthalic acid, 2-bromo-4-fluorophenyl hexyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl dodecyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl heptyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl octyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl nonyl 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 pentyl ester. Isophthalic acid, 4-bromophenyl hexyl ester. Isophthalic acid, 2-fluorophenyl pentyl ester. Isophthalic acid, 2-fluorophenyl hexyl ester. Isophthalic acid, 4-bromophenyl octyl ester. Isophthalic acid, 4-bromophenyl heptyl ester. Isophthalic acid, 4-bromophenyl nonyl ester.

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

Sources

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