Chemical Properties of Isonipecotic acid, N-(4-ethylbenzoyl)-, dodecyl ester

Isonipecotic acid, N-(4-ethylbenzoyl)-, dodecyl ester

InChI
InChI=1S/C27H43NO3/c1-3-5-6-7-8-9-10-11-12-13-22-31-27(30)25-18-20-28(21-19-25)26(29)24-16-14-23(4-2)15-17-24/h14-17,25H,3-13,18-22H2,1-2H3
InChI Key
ZGNUWAPLJJTWAW-UHFFFAOYSA-N
Formula
C27H43NO3
SMILES
CCCCCCCCCCCCOC(=O)C1CCN(C(=O)c2ccc(CC)cc2)CC1
Molecular Weight1
429.64
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Physical Properties

Property Value Unit Source
log10WS -6.56 Relay (1.0) Calculated Property
logPoct/wat 6.565 Crippen Calculated Property
McVol 375.660 ml/mol McGowan Calculated Property
Pc 558.56 kPa Relay (1.0-beta) Calculated Property
Inp 3558.00 NIST
Tboil 718.78 K Relay (1.0) Calculated Property
Tfus 323.03 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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-ethylbenzoyl)-, nonyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, octyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, undecyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, decyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, tridecyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, heptyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, hexyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, pentyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, isohexyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, butyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, propyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, isobutyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, decyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, nonyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, octyl ester.

Find more compounds similar to Isonipecotic acid, N-(4-ethylbenzoyl)-, dodecyl ester.

Sources

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