Chemical Properties of Fumaric acid, 4-nitrophenyl 2,3-dichlorophenyl ester

Fumaric acid, 4-nitrophenyl 2,3-dichlorophenyl ester

InChI
InChI=1S/C16H9Cl2NO6/c17-12-2-1-3-13(16(12)18)25-15(21)9-8-14(20)24-11-6-4-10(5-7-11)19(22)23/h1-9H/b9-8+
InChI Key
HSDXDBUUFXTVHP-CMDGGOBGSA-N
Formula
C16H9Cl2NO6
SMILES
O=C(C=CC(=O)Oc1cccc(Cl)c1Cl)Oc1ccc([N+](=O)[O-])cc1
Molecular Weight1
382.15
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Physical Properties

Property Value Unit Source
ΔfusH° 52.81 kJ/mol Joback Calculated Property
IE 9.29 eV Relay (1.0) Calculated Property
log10WS -5.94 Relay (1.0) Calculated Property
logPoct/wat 3.969 Crippen Calculated Property
McVol 241.260 ml/mol McGowan Calculated Property
Inp [3012.00; 3012.00]   Show Hide
Inp 3012.00 NIST
Inp 3012.00 NIST
Tfus 392.01 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [310.69; 647.02] 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 A3.13400e+01
Coefficient B1.21086e+00
Coefficient C-7.21680e-04
Coefficient D1.26500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 310.69 J/mol×K 273.00 Calculated Property
Cp,gas 374.99 J/mol×K 353.78 Calculated Property
Cp,gas 431.63 J/mol×K 434.56 Calculated Property
Cp,gas 480.99 J/mol×K 515.33 Calculated Property
Cp,gas 523.50 J/mol×K 596.11 Calculated Property
Cp,gas 559.53 J/mol×K 676.89 Calculated Property
Cp,gas 589.50 J/mol×K 757.67 Calculated Property
Cp,gas 613.81 J/mol×K 838.44 Calculated Property
Cp,gas 632.85 J/mol×K 919.22 Calculated Property
Cp,gas 647.02 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 2-nitrophenyl 2,3-dichlorophenyl ester. Fumaric acid, 4-chlorophenyl 2,3-dichlorophenyl ester. Fumaric acid, 3-chlorophenyl 2,3-dichlorophenyl ester. Fumaric acid, 2-chlorophenyl 2,3-dichlorophenyl ester. Fumaric acid, naphth-2-yl 2,3-dichlorophenyl ester. Fumaric acid, 2-nitrophenyl 3-chlorophenyl ester. Fumaric acid, naphth-1-yl 2,3-dichlorophenyl ester. Fumaric acid, 2-methoxyphenyl 2,3-dichlorophenyl ester. Fumaric acid, 2-nitrophenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2,6-dichlorophenyl 3-chlorophenyl ester. Fumaric acid, 3-chlorophenyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2,4-dichlorophenyl 3-chlorophenyl ester. Fumaric acid, di(4-nitrophenyl) ester. Fumaric acid, 2-methylphenyl 2,3-dichlorophenyl ester. Fumaric acid, monoamide, N,N-dimethyl-, 2,3-dichlorophenyl ester.

Find more compounds similar to Fumaric acid, 4-nitrophenyl 2,3-dichlorophenyl ester.

Sources

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