Chemical Properties of Fumaric acid, 2,6-dimethoxyphenyl 2-chloro-6-fluorophenyl ester

Fumaric acid, 2,6-dimethoxyphenyl 2-chloro-6-fluorophenyl ester

InChI
InChI=1S/C18H14ClFO6/c1-23-13-7-4-8-14(24-2)18(13)26-16(22)10-9-15(21)25-17-11(19)5-3-6-12(17)20/h3-10H,1-2H3/b10-9+
InChI Key
WTDGITNHEMVTJE-MDZDMXLPSA-N
Formula
C18H14ClFO6
SMILES
COc1cccc(OC)c1OC(=O)C=CC(=O)Oc1c(F)cccc1Cl
Molecular Weight1
380.75
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Physical Properties

Property Value Unit Source
ΔfusH° 47.49 kJ/mol Joback Calculated Property
IE 8.31 eV Relay (1.0) Calculated Property
log10WS -5.01 Relay (1.0) Calculated Property
logPoct/wat 3.563 Crippen Calculated Property
McVol 253.290 ml/mol McGowan Calculated Property
Inp [2675.00; 2675.00]   Show Hide
Inp 2675.00 NIST
Inp 2675.00 NIST
Tfus 393.77 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 [354.10; 736.73] 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 A8.25300e+01
Coefficient B1.12064e+00
Coefficient C-4.59040e-04
Coefficient D-7.40000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 354.10 J/mol×K 273.00 Calculated Property
Cp,gas 421.21 J/mol×K 353.78 Calculated Property
Cp,gas 482.22 J/mol×K 434.56 Calculated Property
Cp,gas 537.11 J/mol×K 515.33 Calculated Property
Cp,gas 585.87 J/mol×K 596.11 Calculated Property
Cp,gas 628.46 J/mol×K 676.89 Calculated Property
Cp,gas 664.87 J/mol×K 757.67 Calculated Property
Cp,gas 695.06 J/mol×K 838.44 Calculated Property
Cp,gas 719.02 J/mol×K 919.22 Calculated Property
Cp,gas 736.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 2-methoxyphenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2,6-dimethoxyphenyl 2-fluorophenyl ester. Fumaric acid, 2-methoxyphenyl 2-fluorophenyl ester. Fumaric acid, 2,6-dimethoxyphenyl 2,3-dichlorophenyl ester. Fumaric acid, 4-bromophenyl 2-chloro-6-fluorophenyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2-methoxyphenyl ester. Fumaric acid, 4-chlorophenyl 2-chloro-6-fluorophenyl ester. Succinic acid, 2-chloro-6-fluorophenyl 4-fluoro-2-methoxyphenyl ester. Fumaric acid, naphth-1-yl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2,4-dichlorophenyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2,6-dimethoxyphenyl 3-chlorophenyl ester. Fumaric acid, 2-methoxyphenyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2-chlorophenyl 2-fluorophenyl ester. Fumaric acid, 2,6-dichlorophenyl 2-fluorophenyl ester. Succinic acid, 2-chloro-6-fluorophenyl 4-chloro-2-methoxyphenyl ester.

Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl 2-chloro-6-fluorophenyl ester.

Sources

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