Chemical Properties of Fumaric acid, 1-phenylprop-1-yl 2-ethylhexyl ester

Fumaric acid, 1-phenylprop-1-yl 2-ethylhexyl ester

InChI
InChI=1S/C21H30O4/c1-4-7-11-17(5-2)16-24-20(22)14-15-21(23)25-19(6-3)18-12-9-8-10-13-18/h8-10,12-15,17,19H,4-7,11,16H2,1-3H3/b15-14-
InChI Key
ZDSUNJXXKIDOOJ-CCEZHUSRSA-N
Formula
C21H30O4
SMILES
CCCCC(CC)COC(=O)/C=C/C(=O)OC(CC)c1ccccc1
Molecular Weight1
346.47
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Physical Properties

Property Value Unit Source
ΔfusH° 46.08 kJ/mol Joback Calculated Property
log10WS -5.76 Relay (1.0) Calculated Property
logPoct/wat 4.997 Crippen Calculated Property
McVol 293.570 ml/mol McGowan Calculated Property
Pc 1253.03 kPa Joback Calculated Property
Inp [2391.00; 2391.00]   Show Hide
Inp 2391.00 NIST
Inp 2391.00 NIST
Tboil 630.07 K Relay (1.0) Calculated Property
Tfus 286.40 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [898.78; 980.11] J/mol×K [826.48; 1029.00] Show Hide
Cp,gas 898.78 J/mol×K 826.48 Joback Calculated Property
Cp,gas 915.28 J/mol×K 860.23 Joback Calculated Property
Cp,gas 930.55 J/mol×K 893.99 Joback Calculated Property
Cp,gas 944.61 J/mol×K 927.74 Joback Calculated Property
Cp,gas 957.53 J/mol×K 961.49 Joback Calculated Property
Cp,gas 969.35 J/mol×K 995.25 Joback Calculated Property
Cp,gas 980.11 J/mol×K 1029.00 Joback Calculated Property
η [0.0000267; 0.0014863] Pa×s [402.43; 826.48] Show Hide
η 0.0014863 Pa×s 402.43 Joback Calculated Property
η 0.0004612 Pa×s 473.11 Joback Calculated Property
η 0.0001940 Pa×s 543.78 Joback Calculated Property
η 0.0000996 Pa×s 614.45 Joback Calculated Property
η 0.0000587 Pa×s 685.13 Joback Calculated Property
η 0.0000381 Pa×s 755.81 Joback Calculated Property
η 0.0000267 Pa×s 826.48 Joback Calculated Property

Similar Compounds

Fumaric acid, 1-phenylprop-1-yl hept-2-yl ester. Fumaric acid, 1-phenylprop-1-yl 8-chlorooctyl ester. Glutaric acid, cyclohexylmethyl 1-phenylpropyl ester. Succinic acid, 2-ethylhexyl 1-phenylpropyl ester. Succinic acid, cyclohexylmethyl 1-phenylpropyl ester. Glutaric acid, isohexyl 1-phenylpropyl ester. Sebacic acid, isohexyl 1-phenylpropyl ester. Glutaric acid, isobutyl 1-phenyl-2-(3-cyclohexenyl)ethyl ester. Glutaric acid, hept-2-yl 1-phenylpropyl ester. Sebacic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl isobutyl ester. Pimelic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl isobutyl ester. Estra-1,3,5(10)-trien-17-one, 1-methyl-3,6,7-tris[(trifluoroacetyl)oxy]-, (6«alpha»,7«alpha»)-. Glutaric acid, isohexyl 1-phenyl-2-(3-cyclohexenyl)ethyl ester. Dimethylmalonic acid, isobutyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Glutaric acid, dodecyl 1-phenyl-2-(3-cyclohexenyl)ethyl ester.

Find more compounds similar to Fumaric acid, 1-phenylprop-1-yl 2-ethylhexyl ester.

Sources

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