Chemical Properties of Fumaric acid, 2-phenethyl 2,4,6-trichlorophenyl ester

Fumaric acid, 2-phenethyl 2,4,6-trichlorophenyl ester

InChI
InChI=1S/C18H13Cl3O4/c19-13-10-14(20)18(15(21)11-13)25-17(23)7-6-16(22)24-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2/b7-6+
InChI Key
KEKSIWZMPRYBRX-VOTSOKGWSA-N
Formula
C18H13Cl3O4
SMILES
O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCCc1ccccc1
Molecular Weight1
399.65
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Physical Properties

Property Value Unit Source
ΔfusH° 50.82 kJ/mol Joback Calculated Property
ΔvapH° 119.32 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.894 Crippen Calculated Property
McVol 264.260 ml/mol McGowan Calculated Property
Inp [2788.00; 2788.00]   Show Hide
Inp 2788.00 NIST
Inp 2788.00 NIST
Tboil 646.73 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [693.56; 732.41] J/mol×K [912.63; 1154.55] Show Hide
Cp,gas 693.56 J/mol×K 912.63 Joback Calculated Property
Cp,gas 702.89 J/mol×K 952.95 Joback Calculated Property
Cp,gas 711.00 J/mol×K 993.27 Joback Calculated Property
Cp,gas 717.96 J/mol×K 1033.59 Joback Calculated Property
Cp,gas 723.80 J/mol×K 1073.91 Joback Calculated Property
Cp,gas 728.60 J/mol×K 1114.23 Joback Calculated Property
Cp,gas 732.41 J/mol×K 1154.55 Joback Calculated Property
η [0.0000327; 0.0003192] Pa×s [552.36; 912.63] Show Hide
η 0.0003192 Pa×s 552.36 Joback Calculated Property
η 0.0001812 Pa×s 612.40 Joback Calculated Property
η 0.0001139 Pa×s 672.45 Joback Calculated Property
η 0.0000772 Pa×s 732.49 Joback Calculated Property
η 0.0000555 Pa×s 792.54 Joback Calculated Property
η 0.0000418 Pa×s 852.58 Joback Calculated Property
η 0.0000327 Pa×s 912.63 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-phenethyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2-phenethyl 2-fluorophenyl ester. Glutaric acid, 2,4,6-trichlorophenyl phenethyl ester. Succinic acid, 2,4,6-trichlorophenyl phenethyl ester. Glutaric acid, 2,3-dichlorophenyl phenethyl ester. Fumaric acid, 3-phenylpropyl 2-chloro-6-fluorophenyl ester. Succinic acid, phenethyl 2,3-dichlorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl phenethyl ester. Succinic acid, 2-chloro-6-fluorophenyl phenethyl ester. Fumaric acid, 3-phenylpropyl 3-chlorophenyl ester. Glutaric acid, 3-chlorophenyl phenethyl ester. Fumaric acid, 2-phenethyl 8-chlorooctyl ester. Fumaric acid, 3-phenylpropyl 2-fluorophenyl ester. Fumaric acid, 1-phenylprop-1-yl 2,4,6-trichlorophenyl ester. Succinic acid, 4-chloro-3-methylphenyl phenethyl ester.

Find more compounds similar to Fumaric acid, 2-phenethyl 2,4,6-trichlorophenyl ester.

Sources

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