Chemical Properties of Fumaric acid, 3-phenylpropyl 2,2-dichloroethyl ester

Fumaric acid, 3-phenylpropyl 2,2-dichloroethyl ester

InChI
InChI=1S/C15H16Cl2O4/c16-13(17)11-21-15(19)9-8-14(18)20-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2/b9-8+
InChI Key
ZEOSAQHXBMFYTC-CMDGGOBGSA-N
Formula
C15H16Cl2O4
SMILES
O=C(C=CC(=O)OCC(Cl)Cl)OCCCc1ccccc1
Molecular Weight1
331.19
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Physical Properties

Property Value Unit Source
ΔfusH° 42.46 kJ/mol Joback Calculated Property
ΔvapH° 103.01 kJ/mol Relay (1.0) Calculated Property
IE 9.58 eV Relay (1.0) Calculated Property
log10WS -4.88 Relay (1.0) Calculated Property
logPoct/wat 3.065 Crippen Calculated Property
McVol 233.510 ml/mol McGowan Calculated Property
Pc 1840.41 kPa Joback Calculated Property
Inp [2319.00; 2319.00]   Show Hide
Inp 2319.00 NIST
Inp 2319.00 NIST
Tboil 632.56 K Relay (1.0) Calculated Property
Tfus 328.54 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [613.25; 673.58] J/mol×K [764.50; 980.30] Show Hide
Cp,gas 613.25 J/mol×K 764.50 Joback Calculated Property
Cp,gas 625.87 J/mol×K 800.47 Joback Calculated Property
Cp,gas 637.41 J/mol×K 836.43 Joback Calculated Property
Cp,gas 647.92 J/mol×K 872.40 Joback Calculated Property
Cp,gas 657.42 J/mol×K 908.36 Joback Calculated Property
Cp,gas 665.96 J/mol×K 944.33 Joback Calculated Property
Cp,gas 673.58 J/mol×K 980.30 Joback Calculated Property
η [0.0000519; 0.0013745] Pa×s [409.65; 764.50] Show Hide
η 0.0013745 Pa×s 409.65 Joback Calculated Property
η 0.0005640 Pa×s 468.79 Joback Calculated Property
η 0.0002826 Pa×s 527.93 Joback Calculated Property
η 0.0001627 Pa×s 587.08 Joback Calculated Property
η 0.0001037 Pa×s 646.22 Joback Calculated Property
η 0.0000712 Pa×s 705.36 Joback Calculated Property
η 0.0000519 Pa×s 764.50 Joback Calculated Property

Similar Compounds

Fumaric acid, 3-phenylpropyl 1,1,1-trifluoroprop-2-yl ester. Fumaric acid, 3-phenylpropyl 3-methylbut-2-en-1-yl ester. Fumaric acid, 3-phenylpropyl 2,2,3,3-tetrafluoropropyl ester. Fumaric acid, 3-phenylpropyl 3-methylbut-2-yl ester. Fumaric acid, 3-phenylpropyl naphth-2-ylmethyl ester. Fumaric acid, 3-phenylpropyl tridec-2-yn-1-yl ester. Fumaric acid, 3-phenylpropyl 3-chlorophenyl ester. Fumaric acid, 3-phenylpropyl cyclohexylmethyl ester. Succinic acid, 2,2-dichloroethyl 3-phenylpropyl ester. Fumaric acid, 3-phenylpropyl 2-fluorophenyl ester. Fumaric acid, 3-phenylpropyl dec-2-yl ester. Fumaric acid, 3-phenylpropyl 2-methylpent-3-yl ester. Fumaric acid, 3-phenylpropyl hept-2-yl ester. Fumaric acid, 3-phenylpropyl 2-ethylhexyl ester. 3-Phenyl-1-propanol, acetate.

Find more compounds similar to Fumaric acid, 3-phenylpropyl 2,2-dichloroethyl ester.

Sources

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