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

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

InChI
InChI=1S/C23H26BrFO4/c1-2-3-4-5-6-7-8-14-28-22(26)17-10-9-11-18(15-17)23(27)29-21-13-12-19(25)16-20(21)24/h9-13,15-16H,2-8,14H2,1H3
InChI Key
SYQYHXRJDVVESY-UHFFFAOYSA-N
Formula
C23H26BrFO4
SMILES
CCCCCCCCCOC(=O)c1cccc(C(=O)Oc2ccc(F)cc2Br)c1
Molecular Weight1
465.36
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Physical Properties

Property Value Unit Source
ω 1.0932 Relay (1.0) Calculated Property
ΔfusH° 59.34 kJ/mol Joback Calculated Property
log10WS -7.74 Relay (1.0) Calculated Property
logPoct/wat 6.715 Crippen Calculated Property
McVol 321.560 ml/mol McGowan Calculated Property
Pc 1298.60 kPa Joback Calculated Property
Inp [3208.00; 3208.00]   Show Hide
Inp 3208.00 NIST
Inp 3208.00 NIST
Tboil 691.38 K Relay (1.0) Calculated Property
Tc 939.45 K Relay (1.0) Calculated Property
Tfus 313.36 K Relay (1.0) Calculated Property
Vc 1.174 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 [984.35; 1036.12] J/mol×K [976.01; 1201.65] Show Hide
Cp,gas 984.35 J/mol×K 976.01 Joback Calculated Property
Cp,gas 996.26 J/mol×K 1013.62 Joback Calculated Property
Cp,gas 1006.78 J/mol×K 1051.22 Joback Calculated Property
Cp,gas 1015.97 J/mol×K 1088.83 Joback Calculated Property
Cp,gas 1023.89 J/mol×K 1126.44 Joback Calculated Property
Cp,gas 1030.59 J/mol×K 1164.05 Joback Calculated Property
Cp,gas 1036.12 J/mol×K 1201.65 Joback Calculated Property

Similar Compounds

Isophthalic acid, 2-bromo-4-fluorophenyl octyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl dodecyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl heptyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl hexyl 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, 4-bromophenyl decyl ester. Isophthalic acid, 4-bromophenyl nonyl ester. Isophthalic acid, 4-bromophenyl heptyl ester. Isophthalic acid, 4-bromophenyl octyl ester. Isophthalic acid, 2-fluorophenyl tetradecyl ester. Isophthalic acid, 2-fluorophenyl undecyl ester. Isophthalic acid, 2-fluorophenyl nonyl ester. Isophthalic acid, 2-fluorophenyl pentadecyl ester.

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

Sources

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