Chemical Properties of 4-Piperidinecarboxamide (CAS 39546-32-2)

InChI

InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)

InChI Key

DPBWFNDFMCCGGJ-UHFFFAOYSA-N

Formula

C6H12N2O

SMILES

N=C(O)C1CCNCC1

Molecular Weight¹

128.17

CAS

39546-32-2

Other Names

• 1-piperidinecarboxamide
• 4-Piperdinecarboxamide
• Isonipecotamide
• piperidine-4-carboxamide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[124.19; 372.92]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.74600e+01
Coefficient B			8.25380e-01
Coefficient C			-4.77000e-04
Coefficient D			9.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.19	J/mol×K	273.00	Calculated Property
Cp,gas	168.91	J/mol×K	353.78	Calculated Property
Cp,gas	208.69	J/mol×K	434.56	Calculated Property
Cp,gas	243.80	J/mol×K	515.33	Calculated Property
Cp,gas	274.55	J/mol×K	596.11	Calculated Property
Cp,gas	301.21	J/mol×K	676.89	Calculated Property
Cp,gas	324.09	J/mol×K	757.67	Calculated Property
Cp,gas	343.48	J/mol×K	838.44	Calculated Property
Cp,gas	359.65	J/mol×K	919.22	Calculated Property
Cp,gas	372.92	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Piperidinecarboxamide.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Thermochemical study of 1-, 3- and 4-piperidinecarboxamide derivatives
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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