Chemical Properties of 4-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester

InChI

InChI=1S/C14H19NO2/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3

InChI Key

QKHMFBKXTNQCTM-UHFFFAOYSA-N

Formula

C14H19NO2

SMILES

CCOC(=O)C1(c2ccccc2)CCNCC1

Molecular Weight¹

233.31

Other Names

• Isonipecotic acid, 4-phenyl-, ethyl ester
• Ethyl 4-phenylisonipecotate
• Ethyl 4-phenylpiperidine-4-carboxylate
• Nordolsin
• Normeperidine
• Norpethidine
• 4-(Ethoxycarbonyl)-4-phenylpiperidine
• 4-Carbethoxy-4-phenylpiperidine
• 4-Phenyl-4-carbethoxypiperidine
• Ethyl 4-phenyl-4-piperidinecarboxylate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5124		Relay (1.0) Calculated Property
ΔfusH°	25.55	kJ/mol	Joback Calculated Property
ΔvapH°	88.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-1.88		Relay (1.0) Calculated Property
logPoct/wat	1.871		Crippen Calculated Property
McVol	190.920	ml/mol	McGowan Calculated Property
Pc	2627.15	kPa	Joback Calculated Property
Inp	[1738.00; 1749.00]
Inp	1740.00		NIST
Inp	1749.00		NIST
Inp	1749.00		NIST
Inp	1738.00		NIST
Inp	1745.00		NIST
Inp	1738.00		NIST
Inp	1738.00		NIST
Inp	1745.00		NIST
Inp	1749.00		NIST
Inp	1738.00		NIST
Tboil	601.22	K	Relay (1.0) Calculated Property
Tc	818.30	K	Relay (1.0) Calculated Property
Tfus	412.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[525.90; 626.36]	J/mol×K	[673.16; 917.93]
Cp,gas	525.90	J/mol×K	673.16	Joback Calculated Property
Cp,gas	545.21	J/mol×K	713.96	Joback Calculated Property
Cp,gas	563.28	J/mol×K	754.75	Joback Calculated Property
Cp,gas	580.27	J/mol×K	795.55	Joback Calculated Property
Cp,gas	596.33	J/mol×K	836.34	Joback Calculated Property
Cp,gas	611.64	J/mol×K	877.14	Joback Calculated Property
Cp,gas	626.36	J/mol×K	917.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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