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

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

InChI
InChI=1S/C16H20BrFO4/c1-11(2)9-21-15(19)4-3-5-16(20)22-10-12-8-13(18)6-7-14(12)17/h6-8,11H,3-5,9-10H2,1-2H3
InChI Key
QZGJDOKIYDETMJ-UHFFFAOYSA-N
Formula
C16H20BrFO4
SMILES
CC(C)COC(=O)CCCC(=O)OCc1cc(F)ccc1Br
Molecular Weight1
375.23
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Physical Properties

Property Value Unit Source
ΔfH°gas -935.67 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 44.04 kJ/mol Joback Calculated Property
ΔvapH° 92.46 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.001 Crippen Calculated Property
McVol 246.690 ml/mol McGowan Calculated Property
Inp [2267.00; 2267.00]   Show Hide
Inp 2267.00 NIST
Inp 2267.00 NIST
Tboil 635.30 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [685.52; 750.53] J/mol×K [783.75; 988.72] Show Hide
Cp,gas 685.52 J/mol×K 783.75 Joback Calculated Property
Cp,gas 698.91 J/mol×K 817.91 Joback Calculated Property
Cp,gas 711.26 J/mol×K 852.07 Joback Calculated Property
Cp,gas 722.58 J/mol×K 886.24 Joback Calculated Property
Cp,gas 732.88 J/mol×K 920.40 Joback Calculated Property
Cp,gas 742.19 J/mol×K 954.56 Joback Calculated Property
Cp,gas 750.53 J/mol×K 988.72 Joback Calculated Property

Similar Compounds

Sebacic acid, 2-bromo-5-fluorobenzyl isobutyl ester. Glutaric acid, 2-bromo-5-fluorobenzyl propyl ester. Glutaric acid, 2-bromo-5-fluorobenzyl butyl ester. Glutaric acid, 2-bromo-5-fluorobenzyl pentyl ester. Glutaric acid, 2-bromobenzyl isobutyl ester. Glutaric acid, 2-bromo-5-fluorobenzyl ethyl ester. Glutaric acid, 2-bromo-5-fluorobenzyl hexyl ester. Glutaric acid, 2-bromo-5-fluorobenzyl heptadecyl ester. Glutaric acid, 2-bromo-5-fluorobenzyl heptyl ester. Glutaric acid, 2-bromo-5-fluorobenzyl tetradecyl ester. Glutaric acid, 2-bromo-5-fluorobenzyl pentadecyl ester. Glutaric acid, 2-bromo-5-fluorobenzyl tridecyl ester. Glutaric acid, 2-bromo-5-fluorobenzyl hexadecyl ester. Glutaric acid, 2-bromo-5-fluorobenzyl dodecyl ester. Glutaric acid, 2-bromo-5-fluorobenzyl nonyl ester.

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

Sources

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