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

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

InChI
InChI=1S/C15H17BrF2O4/c1-2-6-21-14(19)4-3-5-15(20)22-9-11-12(17)7-10(16)8-13(11)18/h7-8H,2-6,9H2,1H3
InChI Key
JQNKDIGDFBQVSO-UHFFFAOYSA-N
Formula
C15H17BrF2O4
SMILES
CCCOC(=O)CCCC(=O)OCc1c(F)cc(Br)cc1F
Molecular Weight1
379.20
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Physical Properties

Property Value Unit Source
ΔfH°gas -1050.42 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 47.66 kJ/mol Joback Calculated Property
ΔvapH° 90.61 kJ/mol Relay (1.0) Calculated Property
log10WS -5.14 Relay (1.0) Calculated Property
logPoct/wat 3.894 Crippen Calculated Property
McVol 234.370 ml/mol McGowan Calculated Property
Pc 1760.97 kPa Joback Calculated Property
Inp 2182.00 NIST
Tboil 620.06 K Relay (1.0) Calculated Property
Tc 804.29 K Relay (1.0) Calculated Property
Tfus 304.08 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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 [337.14; 704.98] 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 A6.94360e+01
Coefficient B1.12362e+00
Coefficient C-5.37280e-04
Coefficient D4.92000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 337.14 J/mol×K 273.00 Calculated Property
Cp,gas 401.88 J/mol×K 353.78 Calculated Property
Cp,gas 460.29 J/mol×K 434.56 Calculated Property
Cp,gas 512.52 J/mol×K 515.33 Calculated Property
Cp,gas 558.74 J/mol×K 596.11 Calculated Property
Cp,gas 599.09 J/mol×K 676.89 Calculated Property
Cp,gas 633.73 J/mol×K 757.67 Calculated Property
Cp,gas 662.83 J/mol×K 838.44 Calculated Property
Cp,gas 686.52 J/mol×K 919.22 Calculated Property
Cp,gas 704.98 J/mol×K 1000.00 Calculated Property

Similar Compounds

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 isobutyl ester. Sebacic acid, 4-bromo-2,6-difluorobenzyl propyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl pentyl ester. Succinic acid, 4-bromo-2,6-difluorobenzyl propyl ester. Glutaric acid, di(2,6-difluoro-4-bromobenzyl) ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl hexyl 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 undecyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl tetradecyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl hexadecyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl nonyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl heptyl ester.

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

Sources

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