Chemical Properties of Piperidine, 1-(1-oxo-3-phenyl-2-propenyl)- (CAS 5422-81-1)

InChI

InChI=1S/C14H17NO/c16-14(15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+

InChI Key

KNOXUMZPTHELAO-MDZDMXLPSA-N

Formula

C14H17NO

SMILES

O=C(C=Cc1ccccc1)N1CCCCC1

Molecular Weight¹

215.29

CAS

5422-81-1

Other Names

• Piperidine, 1-cinnamoyl-
• 1-Cinnamoylpiperidine
• N-(3-Phenylpropenoyl)piperidine
• Piperidine, N-[3-phenylpropenoryl]-

• 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	0.4909		Relay (1.0) Calculated Property
ΔfG°	200.78	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-67.17	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	79.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-2.46		Relay (1.0) Calculated Property
logPoct/wat	2.712		Crippen Calculated Property
McVol	180.750	ml/mol	McGowan Calculated Property
Pc	2618.85	kPa	Relay (1.0-beta) Calculated Property
Inp	[2088.00; 2090.00]
Inp	2088.00		NIST
Inp	2090.00		NIST
Inp	2088.00		NIST
Inp	2090.00		NIST
Tboil	613.98	K	Relay (1.0) Calculated Property
Tc	850.54	K	Relay (1.0) Calculated Property
Tfus	346.43	K	Relay (1.0) Calculated Property
Vc	0.630	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Piperidine, 1-(1-oxo-3-phenyl-2-propenyl)-.

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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