Chemical Properties of Isonipecotic acid, N-(4-butylbenzoyl)-, isobutyl ester

Isonipecotic acid, N-(4-butylbenzoyl)-, isobutyl ester

InChI
InChI=1S/C21H31NO3/c1-4-5-6-17-7-9-18(10-8-17)20(23)22-13-11-19(12-14-22)21(24)25-15-16(2)3/h7-10,16,19H,4-6,11-15H2,1-3H3
InChI Key
GVWABBRGMKVQPW-UHFFFAOYSA-N
Formula
C21H31NO3
SMILES
CCCCc1ccc(C(=O)N2CCC(C(=O)OCC(C)C)CC2)cc1
Molecular Weight1
345.48
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Physical Properties

Property Value Unit Source
logPoct/wat 4.081 Crippen Calculated Property
McVol 291.120 ml/mol McGowan Calculated Property
Inp 2828.00 NIST
Tfus 333.59 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Similar Compounds

Isonipecotic acid, N-(4-butylbenzoyl)-, butyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, propyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, ethyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, pentyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, isohexyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, hexyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, heptyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, nonyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, octyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, decyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, butyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, isobutyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, propyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, hexyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, heptyl ester.

Find more compounds similar to Isonipecotic acid, N-(4-butylbenzoyl)-, isobutyl ester.

Sources

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