Chemical Properties of 4-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester (CAS 77-17-8)

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

CAS

77-17-8

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	52.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-233.19	kJ/mol	Joback Calculated Property
ΔfusH°	23.97	kJ/mol	Joback Calculated Property
ΔvapH°	64.23	kJ/mol	Joback Calculated Property
log10WS	-2.41		Crippen Calculated Property
logPoct/wat	1.871		Crippen Calculated Property
McVol	190.920	ml/mol	McGowan Calculated Property
Pc	2741.15	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	691.03	K	Joback Calculated Property
Tc	937.41	K	Joback Calculated Property
Tfus	482.43	K	Joback Calculated Property
Vc	0.704	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[531.36; 631.84]	J/mol×K	[691.03; 937.41]
Cp,gas	531.36	J/mol×K	691.03	Joback Calculated Property
Cp,gas	550.36	J/mol×K	732.09	Joback Calculated Property
Cp,gas	568.24	J/mol×K	773.16	Joback Calculated Property
Cp,gas	585.17	J/mol×K	814.22	Joback Calculated Property
Cp,gas	601.30	J/mol×K	855.28	Joback Calculated Property
Cp,gas	616.80	J/mol×K	896.35	Joback Calculated Property
Cp,gas	631.84	J/mol×K	937.41	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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