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

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

InChI
InChI=1S/C25H39NO3/c1-3-5-7-8-9-10-20-29-25(28)23-16-18-26(19-17-23)24(27)22-14-12-21(13-15-22)11-6-4-2/h12-15,23H,3-11,16-20H2,1-2H3
InChI Key
VOMLUEQYWMGTFQ-UHFFFAOYSA-N
Formula
C25H39NO3
SMILES
CCCCCCCCOC(=O)C1CCN(C(=O)c2ccc(CCCC)cc2)CC1
Molecular Weight1
401.58
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Physical Properties

Property Value Unit Source
log10WS -5.97 Relay (1.0) Calculated Property
logPoct/wat 5.785 Crippen Calculated Property
McVol 347.480 ml/mol McGowan Calculated Property
Inp [3323.00; 3323.00]   Show Hide
Inp 3323.00 NIST
Inp 3323.00 NIST
Tfus 311.58 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 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)-, decyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, nonyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, hexyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, heptyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, pentyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, isohexyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, butyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, isobutyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, propyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, ethyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, dodecyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, tridecyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, nonyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, undecyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, decyl ester.

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

Sources

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