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

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

InChI
InChI=1S/C17H14BrFO4/c1-2-8-22-16(20)11-4-3-5-12(9-11)17(21)23-15-7-6-13(19)10-14(15)18/h3-7,9-10H,2,8H2,1H3
InChI Key
CDIHJJIXEQBVML-UHFFFAOYSA-N
Formula
C17H14BrFO4
SMILES
CCCOC(=O)c1cccc(C(=O)Oc2ccc(F)cc2Br)c1
Molecular Weight1
381.19
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Physical Properties

Property Value Unit Source
ΔfusH° 43.80 kJ/mol Joback Calculated Property
log10WS -5.85 Relay (1.0) Calculated Property
logPoct/wat 4.374 Crippen Calculated Property
McVol 237.020 ml/mol McGowan Calculated Property
Pc 2068.00 kPa Joback Calculated Property
Inp [2561.00; 2561.00]   Show Hide
Inp 2561.00 NIST
Inp 2561.00 NIST
Tboil 649.84 K Relay (1.0) Calculated Property
Tfus 324.10 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [643.23; 693.29] J/mol×K [838.73; 1069.80] Show Hide
Cp,gas 643.23 J/mol×K 838.73 Joback Calculated Property
Cp,gas 654.55 J/mol×K 877.24 Joback Calculated Property
Cp,gas 664.64 J/mol×K 915.75 Joback Calculated Property
Cp,gas 673.53 J/mol×K 954.26 Joback Calculated Property
Cp,gas 681.24 J/mol×K 992.77 Joback Calculated Property
Cp,gas 687.82 J/mol×K 1031.29 Joback Calculated Property
Cp,gas 693.29 J/mol×K 1069.80 Joback Calculated Property

Similar Compounds

Isophthalic acid, 2-bromo-4-fluorophenyl isobutyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl butyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl pentyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl hexyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl octyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl dodecyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl nonyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl heptyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl isohexyl ester. Isophthalic acid, 4-bromophenyl propyl ester. Isophthalic acid, 2-fluorophenyl propyl ester. Isophthalic acid, 3-fluorophenyl propyl ester. Isophthalic acid, 4-bromophenyl butyl ester. Isophthalic acid, 4-bromophenyl pentyl ester. Isophthalic acid, butyl 3-fluorophenyl ester.

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

Sources

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