Chemical Properties of Glutaric acid, monoamide, N-(3-methylphenyl)-, isohexyl ester

Glutaric acid, monoamide, N-(3-methylphenyl)-, isohexyl ester

InChI
InChI=1S/C18H27NO3/c1-14(2)7-6-12-22-18(21)11-5-10-17(20)19-16-9-4-8-15(3)13-16/h4,8-9,13-14H,5-7,10-12H2,1-3H3,(H,19,20)
InChI Key
UCFCLRFCDHPCDX-UHFFFAOYSA-N
Formula
C18H27NO3
SMILES
Cc1cccc(NC(=O)CCCC(=O)OCCCC(C)C)c1
Molecular Weight1
305.41
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Physical Properties

Property Value Unit Source
ΔfusH° 43.57 kJ/mol Joback Calculated Property
IE 8.08 eV Relay (1.0) Calculated Property
log10WS -4.20 Relay (1.0) Calculated Property
logPoct/wat 4.083 Crippen Calculated Property
McVol 259.710 ml/mol McGowan Calculated Property
Inp 2748.00 NIST
Tboil 643.87 K Relay (1.0) Calculated Property
Tfus 333.07 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 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 [365.76; 860.96] 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-3.20400e+00
Coefficient B1.57476e+00
Coefficient C-8.58060e-04
Coefficient D1.47460e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 365.76 J/mol×K 273.00 Calculated Property
Cp,gas 453.05 J/mol×K 353.78 Calculated Property
Cp,gas 531.18 J/mol×K 434.56 Calculated Property
Cp,gas 600.63 J/mol×K 515.33 Calculated Property
Cp,gas 661.85 J/mol×K 596.11 Calculated Property
Cp,gas 715.32 J/mol×K 676.89 Calculated Property
Cp,gas 761.50 J/mol×K 757.67 Calculated Property
Cp,gas 800.85 J/mol×K 838.44 Calculated Property
Cp,gas 833.85 J/mol×K 919.22 Calculated Property
Cp,gas 860.96 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, monoamide, N-(3-methylphenyl)-, pentyl ester. Glutaric acid, monoamide, N-(3-methylphenyl)-, hexyl ester. Glutaric acid, monoamide, N-(3-methylphenyl)-, undecyl ester. Glutaric acid, monoamide, N-(3-methylphenyl)-, tridecyl ester. Glutaric acid, monoamide, N-(3-methylphenyl)-, dodecyl ester. Glutaric acid, monoamide, N-(3-methylphenyl)-, decyl ester. Glutaric acid, monoamide, N-(3-methylphenyl)-, nonyl ester. Glutaric acid, monoamide, N-(3-methylphenyl)-, octyl ester. Glutaric acid, monoamide, N-(3-methylphenyl)-, butyl ester. Glutaric acid, monoamide, N-(3-methylphenyl)-, isobutyl ester. Glutaric acid, monoamide, N-(3-methylphenyl)-, propyl ester. Glutaric acid, monoamide, N-(3-methylphenyl)-, ethyl ester. Glutaric acid, monoamide, N-(4-chlorophenyl)-, isohexyl ester. Glutaric acid, monoamide, N-(2-ethylphenyl)-, octyl ester. Glutaric acid, monoamide, N-(2-ethylphenyl)-, nonyl ester.

Find more compounds similar to Glutaric acid, monoamide, N-(3-methylphenyl)-, isohexyl ester.

Sources

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