Chemical Properties of Fumaric acid, monoamide, N-(4-phenoxyphenyl)-, neopentyl ester

Fumaric acid, monoamide, N-(4-phenoxyphenyl)-, neopentyl ester

InChI
InChI=1S/C21H23NO4/c1-21(2,3)15-25-20(24)14-13-19(23)22-16-9-11-18(12-10-16)26-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,22,23)/b14-13+
InChI Key
SJHAZBNZUPYIBL-BUHFOSPRSA-N
Formula
C21H23NO4
SMILES
CC(C)(C)COC(=O)C=CC(=O)Nc1ccc(Oc2ccccc2)cc1
Molecular Weight1
353.41
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Physical Properties

Property Value Unit Source
ΔfusH° 42.88 kJ/mol Joback Calculated Property
IE 7.86 eV Relay (1.0) Calculated Property
log10WS -5.68 Relay (1.0) Calculated Property
logPoct/wat 4.563 Crippen Calculated Property
McVol 279.790 ml/mol McGowan Calculated Property
Inp [3176.00; 3176.00]   Show Hide
Inp 3176.00 NIST
Inp 3176.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 [372.40; 886.05] 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-5.13090e+01
Coefficient B1.85756e+00
Coefficient C-1.19386e-03
Coefficient D2.73660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 372.40 J/mol×K 273.00 Calculated Property
Cp,gas 468.55 J/mol×K 353.78 Calculated Property
Cp,gas 552.91 J/mol×K 434.56 Calculated Property
Cp,gas 626.35 J/mol×K 515.33 Calculated Property
Cp,gas 689.74 J/mol×K 596.11 Calculated Property
Cp,gas 743.92 J/mol×K 676.89 Calculated Property
Cp,gas 789.78 J/mol×K 757.67 Calculated Property
Cp,gas 828.18 J/mol×K 838.44 Calculated Property
Cp,gas 859.98 J/mol×K 919.22 Calculated Property
Cp,gas 886.05 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-(4-phenoxyphenyl)-, isopropyl ester. Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, neopentyl ester. Fumaric acid, monoamide, N-(4-chlorophenyl)-, neopentyl ester. Fumaric acid, monoamide, N-(4-phenoxyphenyl)-, 2-pentyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, neopentyl ester. Fumaric acid, monoamide, N-(2-bromophenyl)-, neopentyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, neopentyl ester. Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, 2-pentyl ester. Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, isopropyl ester. Fumaric acid, monoamide, N-(2-ethylphenyl)-, neopentyl ester. Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-pentyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-pentyl ester. Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-ethylhexyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-ethylhexyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-pentyl ester.

Find more compounds similar to Fumaric acid, monoamide, N-(4-phenoxyphenyl)-, neopentyl ester.

Sources

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