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

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

InChI
InChI=1S/C26H32BrFO4/c1-2-3-4-5-6-7-8-9-10-11-17-31-25(29)20-13-12-14-21(18-20)26(30)32-24-16-15-22(28)19-23(24)27/h12-16,18-19H,2-11,17H2,1H3
InChI Key
IVPNSBSFCHWQKQ-UHFFFAOYSA-N
Formula
C26H32BrFO4
SMILES
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)Oc2ccc(F)cc2Br)c1
Molecular Weight1
507.43
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Physical Properties

Property Value Unit Source
ω 1.2125 Relay (1.0) Calculated Property
ΔfusH° 67.11 kJ/mol Joback Calculated Property
log10WS -8.58 Relay (1.0) Calculated Property
logPoct/wat 7.885 Crippen Calculated Property
McVol 363.830 ml/mol McGowan Calculated Property
Pc 1065.87 kPa Joback Calculated Property
Inp [3526.00; 3526.00]   Show Hide
Inp 3526.00 NIST
Inp 3526.00 NIST
Tboil 712.45 K Relay (1.0) Calculated Property
Tc 958.01 K Relay (1.0) Calculated Property
Tfus 316.68 K Relay (1.0) Calculated Property
Vc 1.337 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 [1162.63; 1213.56] J/mol×K [1044.65; 1279.13] Show Hide
Cp,gas 1162.63 J/mol×K 1044.65 Joback Calculated Property
Cp,gas 1174.70 J/mol×K 1083.73 Joback Calculated Property
Cp,gas 1185.24 J/mol×K 1122.81 Joback Calculated Property
Cp,gas 1194.33 J/mol×K 1161.89 Joback Calculated Property
Cp,gas 1202.03 J/mol×K 1200.97 Joback Calculated Property
Cp,gas 1208.42 J/mol×K 1240.05 Joback Calculated Property
Cp,gas 1213.56 J/mol×K 1279.13 Joback Calculated Property

Similar Compounds

Isophthalic acid, 2-bromo-4-fluorophenyl octyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl nonyl 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 dodecyl ester.

Sources

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