Chemical Properties of Phthalic acid, 2-bromo-5-fluorobenzyl isobutyl ester

Phthalic acid, 2-bromo-5-fluorobenzyl isobutyl ester

InChI
InChI=1S/C19H18BrFO4/c1-12(2)10-24-18(22)15-5-3-4-6-16(15)19(23)25-11-13-9-14(21)7-8-17(13)20/h3-9,12H,10-11H2,1-2H3
InChI Key
MPYWENGUBIOGPW-UHFFFAOYSA-N
Formula
C19H18BrFO4
SMILES
CC(C)COC(=O)c1ccccc1C(=O)OCc1cc(F)ccc1Br
Molecular Weight1
409.25
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Physical Properties

Property Value Unit Source
ΔfusH° 45.46 kJ/mol Joback Calculated Property
log10WS -6.05 Relay (1.0) Calculated Property
logPoct/wat 4.758 Crippen Calculated Property
McVol 265.200 ml/mol McGowan Calculated Property
Inp [2940.00; 2940.00]   Show Hide
Inp 2940.00 NIST
Inp 2940.00 NIST
Tboil 669.40 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [356.23; 786.28] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.41220e+01
Coefficient B1.41884e+00
Coefficient C-7.72880e-04
Coefficient D1.16200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 356.23 J/mol×K 273.00 Calculated Property
Cp,gas 434.49 J/mol×K 353.78 Calculated Property
Cp,gas 504.27 J/mol×K 434.56 Calculated Property
Cp,gas 565.95 J/mol×K 515.33 Calculated Property
Cp,gas 619.88 J/mol×K 596.11 Calculated Property
Cp,gas 666.44 J/mol×K 676.89 Calculated Property
Cp,gas 705.99 J/mol×K 757.67 Calculated Property
Cp,gas 738.90 J/mol×K 838.44 Calculated Property
Cp,gas 765.55 J/mol×K 919.22 Calculated Property
Cp,gas 786.28 J/mol×K 1000.00 Calculated Property

Similar Compounds

Phthalic acid, 2-bromo-5-fluorobenzyl propyl ester. Phthalic acid, butyl 2-bromo-5-fluorobenzyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl pentyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl hexyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl isobutyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl nonyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl decyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl heptyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl dodecyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl undecyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl octyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl tridecyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl ethyl ester. Phthalic acid, 3-fluorobenzyl isobutyl ester. Phthalic acid, 2,5-difluorobenzyl isobutyl ester.

Find more compounds similar to Phthalic acid, 2-bromo-5-fluorobenzyl isobutyl ester.

Sources

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