Chemical Properties of Phenoperidine (CAS 562-26-5)

InChI

InChI=1S/C23H29NO3/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19/h3-12,21,25H,2,13-18H2,1H3

InChI Key

IPOPQVVNCFQFRK-UHFFFAOYSA-N

Formula

C23H29NO3

SMILES

CCOC(=O)C1(c2ccccc2)CCN(CCC(O)c2ccccc2)CC1

Molecular Weight¹

367.48

CAS

562-26-5

Other Names

• 4-Piperidinecarboxylic acid, 1-(3-hydroxy-3-phenylpropyl)-4-phenyl-, ethyl ester
• 1-(3-Hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylic acid ethyl ester
• Phenoperidin
• R-1406

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8587		Relay (... Calculated Property
ΔfG°	44.34	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-382.30	kJ/mol	Relay (... Calculated Property
ΔvapH°	136.84	kJ/mol	Relay (... Calculated Property
IE	8.01	eV	Relay (... Calculated Property
log10WS	-2.73		Relay (... Calculated Property
logPoct/wat	3.707		Crippen Calculated Property
McVol	299.840	ml/mol	McGowan Calculated Property
Pc	1221.48	kPa	Relay (... Calculated Property ⚠️
Inp	[2872.00; 2872.00]
Inp	2872.00		NIST
Inp	2872.00		NIST
Tboil	692.83	K	Relay (... Calculated Property
Tc	969.34	K	Relay (... Calculated Property
Tfus	462.67	K	Relay (... Calculated Property
Vc	1.061	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Phenoperidine.

Sources

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

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