Chemical Properties of Pyridine, 1-acetyl-5-(1-acetyl-2-piperidinyl)-1,2,3,4-tetrahydro- (CAS 54966-21-1)

InChI

InChI=1S/C14H22N2O2/c1-11(17)15-8-5-6-13(10-15)14-7-3-4-9-16(14)12(2)18/h10,14H,3-9H2,1-2H3

InChI Key

AITYIJXYFMGTNF-UHFFFAOYSA-N

Formula

C14H22N2O2

SMILES

CC(=O)N1C=C(C2CCCCN2C(C)=O)CCC1

Molecular Weight¹

250.34

CAS

54966-21-1

Other Names

• N-Acetylammodendrine

• 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	0.5454		Relay (1.0) Calculated Property
ΔfG°	77.58	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-409.88	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	91.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-1.26		Relay (1.0) Calculated Property
logPoct/wat	1.914		Crippen Calculated Property
McVol	205.200	ml/mol	McGowan Calculated Property
Pc	2045.29	kPa	Relay (1.0-beta) Calculated Property
Inp	[2220.00; 2220.00]
Inp	2220.00		NIST
Inp	2220.00		NIST
Tboil	603.84	K	Relay (1.0) Calculated Property
Tc	859.98	K	Relay (1.0) Calculated Property
Tfus	370.87	K	Relay (1.0) Calculated Property
Vc	0.723	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyridine, 1-acetyl-5-(1-acetyl-2-piperidinyl)-1,2,3,4-tetrahydro-.

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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