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

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

InChI
InChI=1S/C18H25NO4/c1-13(2)12-23-18(21)14-7-9-19(10-8-14)17(20)15-5-4-6-16(11-15)22-3/h4-6,11,13-14H,7-10,12H2,1-3H3
InChI Key
DJMNMFDEFIWKBA-UHFFFAOYSA-N
Formula
C18H25NO4
SMILES
COc1cccc(C(=O)N2CCC(C(=O)OCC(C)C)CC2)c1
Molecular Weight1
319.40
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Physical Properties

Property Value Unit Source
ΔfH°gas -653.33 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 97.74 kJ/mol Relay (1.0) Calculated Property
IE 8.46 eV Relay (1.0) Calculated Property
logPoct/wat 2.747 Crippen Calculated Property
McVol 254.720 ml/mol McGowan Calculated Property
Inp 2645.00 NIST
Tboil 671.59 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)-, ethyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, butyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, isohexyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, pentyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, heptyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, hexyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, nonyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, octyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, undecyl ester. Isonipecotic acid, N-(3-methoxybenzoyl)-, decyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, propyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, butyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, ethyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, isohexyl ester.

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

Sources

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