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

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

InChI
InChI=1S/C16H21NO4/c1-3-21-16(19)12-7-9-17(10-8-12)15(18)13-5-4-6-14(11-13)20-2/h4-6,11-12H,3,7-10H2,1-2H3
InChI Key
SQUPRMCJHRVBJC-UHFFFAOYSA-N
Formula
C16H21NO4
SMILES
CCOC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1
Molecular Weight1
291.34
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Physical Properties

Property Value Unit Source
ΔfH°gas -588.69 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 98.56 kJ/mol Relay (1.0) Calculated Property
IE 8.35 eV Relay (1.0) Calculated Property
logPoct/wat 2.111 Crippen Calculated Property
McVol 226.540 ml/mol McGowan Calculated Property
Inp 2481.00 NIST
Tboil 656.71 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)-, propyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, isobutyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, butyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, pentyl ester. 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)-, undecyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, isohexyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, octyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, ethyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, propyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, butyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, isohexyl ester.

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

Sources

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