Chemical Properties of Fumaric acid, monoamide, N,N-dimethyl-, 4-(2-phenylprop-2yl)phenyl ester

Fumaric acid, monoamide, N,N-dimethyl-, 4-(2-phenylprop-2yl)phenyl ester

InChI
InChI=1S/C21H23NO3/c1-21(2,16-8-6-5-7-9-16)17-10-12-18(13-11-17)25-20(24)15-14-19(23)22(3)4/h5-15H,1-4H3/b15-14+
InChI Key
DTHOVJNLXLMMPO-CCEZHUSRSA-N
Formula
C21H23NO3
SMILES
CN(C)C(=O)C=CC(=O)Oc1ccc(C(C)(C)c2ccccc2)cc1
Molecular Weight1
337.41
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Physical Properties

Property Value Unit Source
ΔfusH° 39.62 kJ/mol Joback Calculated Property
logPoct/wat 3.562 Crippen Calculated Property
McVol 273.920 ml/mol McGowan Calculated Property
Inp 3066.00 NIST
Tboil 634.26 K Relay (1.0) Calculated Property
Tfus 379.61 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [356.32; 868.69] 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 A-8.62900e+01
Coefficient B1.96848e+00
Coefficient C-1.36886e-03
Coefficient D3.55360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 356.32 J/mol×K 273.00 Calculated Property
Cp,gas 454.52 J/mol×K 353.78 Calculated Property
Cp,gas 539.79 J/mol×K 434.56 Calculated Property
Cp,gas 613.24 J/mol×K 515.33 Calculated Property
Cp,gas 676.00 J/mol×K 596.11 Calculated Property
Cp,gas 729.18 J/mol×K 676.89 Calculated Property
Cp,gas 773.92 J/mol×K 757.67 Calculated Property
Cp,gas 811.33 J/mol×K 838.44 Calculated Property
Cp,gas 842.55 J/mol×K 919.22 Calculated Property
Cp,gas 868.69 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sebacic acid, ethyl 4-(2-phenylpropyl-2)-phenyl ester. Sebacic acid, 4-(2-phenylpropyl-2)-phenyl propyl ester. Sebacic acid, butyl 4-(2-phenylpropyl-2)-phenyl ester. Sebacic acid, isobutyl 4-(2-phenylpropyl-2)-phenyl ester. Melitracene M(Nor-HO-dihydro), diacetylated. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-fluorophenyl ester. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3-fluorophenyl ester. Protriptyline M(HO), acetylated. Maprotiline M(di-HO), diacetylated. Fluspirilene. Maprotiline M(Nor-HO), diacetylated. Silane, dimethyl(4-(2-phenylprop-2-yl)phenoxy)decyloxy-. Silane, dimethyl(4-(2-phenylprop-2-yl)phenoxy)pentadecyloxy-. Silane, dimethyl(4-(2-phenylprop-2-yl)phenoxy)dodecyloxy-. Silane, dimethyl(4-(2-phenylprop-2-yl)phenoxy)tridecyloxy-.

Find more compounds similar to Fumaric acid, monoamide, N,N-dimethyl-, 4-(2-phenylprop-2yl)phenyl ester.

Sources

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