Chemical Properties of Glutaric acid, 2,6-difluoro-4-bromobenzyl isobutyl ester

Glutaric acid, 2,6-difluoro-4-bromobenzyl isobutyl ester

InChI
InChI=1S/C16H19BrF2O4/c1-10(2)8-22-15(20)4-3-5-16(21)23-9-12-13(18)6-11(17)7-14(12)19/h6-7,10H,3-5,8-9H2,1-2H3
InChI Key
FBWSLBSCKKSTTF-UHFFFAOYSA-N
Formula
C16H19BrF2O4
SMILES
CC(C)COC(=O)CCCC(=O)OCc1c(F)cc(Br)cc1F
Molecular Weight1
393.22
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Physical Properties

Property Value Unit Source
ΔfH°gas -1087.58 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 46.73 kJ/mol Joback Calculated Property
ΔvapH° 91.91 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.140 Crippen Calculated Property
McVol 248.460 ml/mol McGowan Calculated Property
Pc 1637.78 kPa Joback Calculated Property
Inp [2238.00; 2238.00]   Show Hide
Inp 2238.00 NIST
Inp 2238.00 NIST
Tboil 627.07 K Relay (1.0) Calculated Property
Tc 813.08 K Relay (1.0) Calculated Property

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

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [358.04; 757.10] 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 A6.68450e+01
Coefficient B1.22454e+00
Coefficient C-5.94880e-04
Coefficient D6.06000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 358.04 J/mol×K 273.00 Calculated Property
Cp,gas 428.29 J/mol×K 353.78 Calculated Property
Cp,gas 491.61 J/mol×K 434.56 Calculated Property
Cp,gas 548.20 J/mol×K 515.33 Calculated Property
Cp,gas 598.25 J/mol×K 596.11 Calculated Property
Cp,gas 641.96 J/mol×K 676.89 Calculated Property
Cp,gas 679.50 J/mol×K 757.67 Calculated Property
Cp,gas 711.08 J/mol×K 838.44 Calculated Property
Cp,gas 736.88 J/mol×K 919.22 Calculated Property
Cp,gas 757.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sebacic acid, 4-bromo-2,6-difluorobenzyl isobutyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl propyl ester. Succinic acid, 4-bromo-2,6-difluorobenzyl isobutyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl butyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl ethyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl pentyl ester. Sebacic acid, 4-bromo-2,6-difluorobenzyl propyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl hexyl ester. Sebacic acid, 4-bromo-2,6-difluorobenzyl butyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl heptyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl undecyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl dodecyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl octyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl pentadecyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl tetradecyl ester.

Find more compounds similar to Glutaric acid, 2,6-difluoro-4-bromobenzyl isobutyl ester.

Sources

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