Chemical Properties of Pyridine, 1-acetyl-5-(1-formyl-2-piperidinyl)-1,2,3,4-tetrahydro- (CAS 54966-16-4)

InChI

InChI=1S/C13H20N2O2/c1-11(17)14-8-4-5-12(9-14)13-6-2-3-7-15(13)10-16/h9-10,13H,2-8H2,1H3

InChI Key

IDRBUUNZHYXUPN-UHFFFAOYSA-N

Formula

C13H20N2O2

SMILES

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

Molecular Weight¹

236.31

CAS

54966-16-4

Other Names

• N-Formylammodendrine

• 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	0.5268		Relay (1.0) Calculated Property
ΔfG°	80.89	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-342.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	91.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-1.44		Relay (1.0) Calculated Property
logPoct/wat	1.523		Crippen Calculated Property
McVol	191.110	ml/mol	McGowan Calculated Property
Pc	2460.60	kPa	Relay (1.0-beta) Calculated Property
Inp	[2210.00; 2222.00]
Inp	2222.00		NIST
Inp	2210.00		NIST
Inp	2222.00		NIST
Inp	2210.00		NIST
Tboil	612.28	K	Relay (1.0) Calculated Property
Tc	883.62	K	Relay (1.0) Calculated Property
Tfus	351.56	K	Relay (1.0) Calculated Property
Vc	0.666	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyridine, 1-acetyl-5-(1-formyl-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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