Chemical Properties of Ethyl piperidine-4-carboxylate (CAS 1126-09-6)

InChI

InChI=1S/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3

InChI Key

RUJPPJYDHHAEEK-UHFFFAOYSA-N

Formula

C8H15NO2

SMILES

CCOC(=O)C1CCNCC1

Molecular Weight¹

157.21

CAS

1126-09-6

Other Names

• 4-Carbethoxypiperidine
• 4-Piperidinecarboxylic acid, ethyl ester
• Ethyl 4-piperidinecarboxylate
• Ethyl isonipecotate
• Piperidine-4-carboxylic acid ethyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.52; 456.46]	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			-2.76590e+01
Coefficient B			8.17720e-01
Coefficient C			-3.37200e-04
Coefficient D			3.60000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.52	J/mol×K	273.00	Calculated Property
Cp,gas	219.59	J/mol×K	353.78	Calculated Property
Cp,gas	264.30	J/mol×K	434.56	Calculated Property
Cp,gas	304.68	J/mol×K	515.33	Calculated Property
Cp,gas	340.73	J/mol×K	596.11	Calculated Property
Cp,gas	372.47	J/mol×K	676.89	Calculated Property
Cp,gas	399.89	J/mol×K	757.67	Calculated Property
Cp,gas	423.03	J/mol×K	838.44	Calculated Property
Cp,gas	441.88	J/mol×K	919.22	Calculated Property
Cp,gas	456.46	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl piperidine-4-carboxylate.

Sources

• 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
• Joback Method
• McGowan Method
• NIST Webbook

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