Chemical Properties of Diglycolic acid, di(2-bromo-4-fluorophenyl) ester

Diglycolic acid, di(2-bromo-4-fluorophenyl) ester

InChI
InChI=1S/C16H10Br2F2O5/c17-11-5-9(19)1-3-13(11)24-15(21)7-23-8-16(22)25-14-4-2-10(20)6-12(14)18/h1-6H,7-8H2
InChI Key
NIFJDLHXGABPDV-UHFFFAOYSA-N
Formula
C16H10Br2F2O5
SMILES
O=C(COCC(=O)Oc1ccc(F)cc1Br)Oc1ccc(F)cc1Br
Molecular Weight1
480.05
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Physical Properties

Property Value Unit Source
ΔfusH° 50.38 kJ/mol Joback Calculated Property
IE 8.38 eV Relay (1.0) Calculated Property
logPoct/wat 4.017 Crippen Calculated Property
McVol 248.070 ml/mol McGowan Calculated Property
Inp [3472.00; 3472.00]   Show Hide
Inp 3472.00 NIST
Inp 3472.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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 [333.04; 662.57] 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 A8.26120e+01
Coefficient B1.05520e+00
Coefficient C-5.16240e-04
Coefficient D4.10000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 333.04 J/mol×K 273.00 Calculated Property
Cp,gas 393.12 J/mol×K 353.78 Calculated Property
Cp,gas 447.03 J/mol×K 434.56 Calculated Property
Cp,gas 494.91 J/mol×K 515.33 Calculated Property
Cp,gas 536.87 J/mol×K 596.11 Calculated Property
Cp,gas 573.05 J/mol×K 676.89 Calculated Property
Cp,gas 603.58 J/mol×K 757.67 Calculated Property
Cp,gas 628.59 J/mol×K 838.44 Calculated Property
Cp,gas 648.21 J/mol×K 919.22 Calculated Property
Cp,gas 662.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diglycolic acid, 2-bromo-4-fluorophenyl ethyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl propyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl isobutyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl butyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl pentyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl hexyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl octyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl nonyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl heptyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl decyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl isohexyl ester. Diglycolic acid, di(4-bromophenyl) ester. Succinic acid, 2,2-dichloroethyl 2-bromo-4-fluorophenyl ester. Succinic acid, 2-bromo-4-fluorophenyl 2-ethoxyethyl ester. Succinic acid, 2-bromo-4-fluorophenyl 2-methoxyethyl ester.

Find more compounds similar to Diglycolic acid, di(2-bromo-4-fluorophenyl) ester.

Sources

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