Chemical Properties of Isonipecotic acid, N-(3-methoxybenzoyl)-, pentyl ester

Isonipecotic acid, N-(3-methoxybenzoyl)-, pentyl ester

InChI
InChI=1S/C19H27NO4/c1-3-4-5-13-24-19(22)15-9-11-20(12-10-15)18(21)16-7-6-8-17(14-16)23-2/h6-8,14-15H,3-5,9-13H2,1-2H3
InChI Key
BRBCHLQZZGHLJU-UHFFFAOYSA-N
Formula
C19H27NO4
SMILES
CCCCCOC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1
Molecular Weight1
333.42
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Physical Properties

Property Value Unit Source
ΔfH°gas -653.55 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 103.28 kJ/mol Relay (1.0) Calculated Property
IE 8.37 eV Relay (1.0) Calculated Property
logPoct/wat 3.281 Crippen Calculated Property
McVol 268.810 ml/mol McGowan Calculated Property
Inp 2792.00 NIST
Tboil 678.60 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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-(3-methoxybenzoyl)-, hexyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, heptyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, nonyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, decyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, octyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, undecyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, isohexyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, butyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, propyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, isobutyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, ethyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, isohexyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, pentyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, octyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, decyl ester.

Find more compounds similar to Isonipecotic acid, N-(3-methoxybenzoyl)-, pentyl ester.

Sources

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