Chemical Properties of Glutaric acid, monoamide, N-(2-phenylpropyl)-, isohexyl ester

Glutaric acid, monoamide, N-(2-phenylpropyl)-, isohexyl ester

InChI
InChI=1S/C20H31NO3/c1-16(2)9-8-14-24-20(23)13-7-12-19(22)21-15-17(3)18-10-5-4-6-11-18/h4-6,10-11,16-17H,7-9,12-15H2,1-3H3,(H,21,22)
InChI Key
XFFQHLXQAIIBOD-UHFFFAOYSA-N
Formula
C20H31NO3
SMILES
CC(C)CCCOC(=O)CCCC(=O)NCC(C)c1ccccc1
Molecular Weight1
333.46
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Physical Properties

Property Value Unit Source
ΔfusH° 45.62 kJ/mol Joback Calculated Property
IE 8.67 eV Relay (1.0) Calculated Property
log10WS -3.96 Relay (1.0) Calculated Property
logPoct/wat 4.056 Crippen Calculated Property
McVol 287.890 ml/mol McGowan Calculated Property
Inp [2592.00; 2592.00]   Show Hide
Inp 2592.00 NIST
Inp 2592.00 NIST
Tboil 641.02 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, 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 [405.32; 967.72] 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-2.10030e+01
Coefficient B1.83016e+00
Coefficient C-1.03710e-03
Coefficient D1.95660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 405.32 J/mol×K 273.00 Calculated Property
Cp,gas 505.33 J/mol×K 353.78 Calculated Property
Cp,gas 594.51 J/mol×K 434.56 Calculated Property
Cp,gas 673.50 J/mol×K 515.33 Calculated Property
Cp,gas 742.89 J/mol×K 596.11 Calculated Property
Cp,gas 803.32 J/mol×K 676.89 Calculated Property
Cp,gas 855.39 J/mol×K 757.67 Calculated Property
Cp,gas 899.74 J/mol×K 838.44 Calculated Property
Cp,gas 936.97 J/mol×K 919.22 Calculated Property
Cp,gas 967.72 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, monoamide, N-(2-phenylpropyl)-, pentyl ester. Glutaric acid, monoamide, N-(2-phenylpropyl)-, hexyl ester. Glutaric acid, monoamide, N-(2-phenylpropyl)-, heptyl ester. Glutaric acid, monoamide, N-(2-phenylpropyl)-, dodecyl ester. Glutaric acid, monoamide, N-(2-phenylpropyl)-, octyl ester. Glutaric acid, monoamide, N-(2-phenylpropyl)-, undecyl ester. Glutaric acid, monoamide, N-(2-phenylpropyl)-, nonyl ester. Glutaric acid, monoamide, N-(2-phenylpropyl)-, tetradecyl ester. Glutaric acid, monoamide, N-(2-phenylpropyl)-, decyl ester. Glutaric acid, monoamide, N-(2-phenylpropyl)-, butyl ester. Glutaric acid, monoamide, N-(2-phenylpropyl)-, isobutyl ester. Glutaric acid, monoamide, N-(2-phenylpropyl)-, propyl ester. Glutaric acid, monoamide, N-(2-phenylpropyl)-, ethyl ester. Glutaric acid, monoamide, N-(2-(4-methoxyphenyl)ethyl)-, isohexyl ester. 3'-dihydrocinnamoylindicine.

Find more compounds similar to Glutaric acid, monoamide, N-(2-phenylpropyl)-, isohexyl ester.

Sources

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