Chemical Properties of Isonipecotic acid, N-(4-methylbenzoyl)-, butyl ester

Isonipecotic acid, N-(4-methylbenzoyl)-, butyl ester

InChI
InChI=1S/C18H25NO3/c1-3-4-13-22-18(21)16-9-11-19(12-10-16)17(20)15-7-5-14(2)6-8-15/h5-8,16H,3-4,9-13H2,1-2H3
InChI Key
BUCAXIHWQXYNQU-UHFFFAOYSA-N
Formula
C18H25NO3
SMILES
CCCCOC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1
Molecular Weight1
303.40
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
logPoct/wat 3.191 Crippen Calculated Property
McVol 248.850 ml/mol McGowan Calculated Property
Inp 2578.00 NIST
Tfus 321.29 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, 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-(4-methylbenzoyl)-, pentyl ester. Isonipecotic acid, N-(4-methylbenzoyl)-, heptyl ester. Isonipecotic acid, N-(4-methylbenzoyl)-, hexyl ester. Isonipecotic acid, N-(4-methylbenzoyl)-, undecyl ester. Isonipecotic acid, N-(4-methylbenzoyl)-, octyl ester. Isonipecotic acid, N-(4-methylbenzoyl)-, decyl ester. Isonipecotic acid, N-(4-methylbenzoyl)-, nonyl ester. Isonipecotic acid, N-(4-methylbenzoyl)-, dodecyl ester. Isonipecotic acid, N-(4-methylbenzoyl)-, isohexyl ester. Isonipecotic acid, N-(4-methylbenzoyl)-, propyl ester. Isonipecotic acid, N-(4-methylbenzoyl)-, isobutyl ester. Isonipecotic acid, N-(4-methylbenzoyl)-, ethyl ester. Isonipecotic acid, N-(4-ethylbenzoyl)-, butyl ester. Isonipecotic acid, N-benzoyl-, butyl ester. Isonipecotic acid, N-benzoyl-, pentyl ester.

Find more compounds similar to Isonipecotic acid, N-(4-methylbenzoyl)-, butyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.