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

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

InChI
InChI=1S/C22H24BrFO4/c1-2-3-4-5-6-7-13-27-21(25)16-9-8-10-17(14-16)22(26)28-20-12-11-18(24)15-19(20)23/h8-12,14-15H,2-7,13H2,1H3
InChI Key
ALYMGWWHXHFHFO-UHFFFAOYSA-N
Formula
C22H24BrFO4
SMILES
CCCCCCCCOC(=O)c1cccc(C(=O)Oc2ccc(F)cc2Br)c1
Molecular Weight1
451.33
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Physical Properties

Property Value Unit Source
ω 1.0527 Relay (1.0) Calculated Property
ΔfusH° 56.75 kJ/mol Joback Calculated Property
log10WS -7.44 Relay (1.0) Calculated Property
logPoct/wat 6.325 Crippen Calculated Property
McVol 307.470 ml/mol McGowan Calculated Property
Pc 1393.33 kPa Joback Calculated Property
Inp [3102.00; 3102.00]   Show Hide
Inp 3102.00 NIST
Inp 3102.00 NIST
Tboil 684.30 K Relay (1.0) Calculated Property
Tc 932.92 K Relay (1.0) Calculated Property
Tfus 312.40 K Relay (1.0) Calculated Property
Vc 1.120 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 [925.89; 977.77] J/mol×K [953.13; 1177.71] Show Hide
Cp,gas 925.89 J/mol×K 953.13 Joback Calculated Property
Cp,gas 937.74 J/mol×K 990.56 Joback Calculated Property
Cp,gas 948.25 J/mol×K 1027.99 Joback Calculated Property
Cp,gas 957.45 J/mol×K 1065.42 Joback Calculated Property
Cp,gas 965.41 J/mol×K 1102.85 Joback Calculated Property
Cp,gas 972.17 J/mol×K 1140.28 Joback Calculated Property
Cp,gas 977.77 J/mol×K 1177.71 Joback Calculated Property

Similar Compounds

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

Sources

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