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

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

InChI
InChI=1S/C17H22FNO3/c1-2-3-12-22-17(21)14-8-10-19(11-9-14)16(20)13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3
InChI Key
UEWSLCIHCLUWND-UHFFFAOYSA-N
Formula
C17H22FNO3
SMILES
CCCCOC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
Molecular Weight1
307.36
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Physical Properties

Property Value Unit Source
logPoct/wat 3.021 Crippen Calculated Property
McVol 236.530 ml/mol McGowan Calculated Property
Inp 2420.00 NIST
Tfus 324.95 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-fluorobenzoyl)-, pentyl ester. Isonipecotic acid, N-(4-fluorobenzoyl)-, hexyl ester. Isonipecotic acid, N-(4-fluorobenzoyl)-, heptyl ester. Isonipecotic acid, N-(4-fluorobenzoyl)-, tetradecyl ester. Isonipecotic acid, N-(4-fluorobenzoyl)-, dodecyl ester. Isonipecotic acid, N-(4-fluorobenzoyl)-, undecyl ester. Isonipecotic acid, N-(4-fluorobenzoyl)-, nonyl ester. Isonipecotic acid, N-(4-fluorobenzoyl)-, octyl ester. Isonipecotic acid, N-(4-fluorobenzoyl)-, decyl ester. Isonipecotic acid, N-(4-fluorobenzoyl)-, tridecyl ester. Isonipecotic acid, N-(4-fluorobenzoyl)-, propyl ester. Isonipecotic acid, N-(4-fluorobenzoyl)-, isohexyl ester. Isonipecotic acid, N-(3,4-difluorobenzoyl)-, butyl ester. Isonipecotic acid, N-(4-fluorobenzoyl)-, isobutyl ester. Isonipecotic acid, N-(3,4-difluorobenzoyl)-, pentyl ester.

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

Sources

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