Chemical Properties of 2-Acetyl-1,4,5,6-tetrahydropyridine (CAS 25343-57-1)

InChI

InChI=1S/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h4,8H,2-3,5H2,1H3

InChI Key

HRAOWRVFLSYJKN-UHFFFAOYSA-N

Formula

C7H11NO

SMILES

CC(=O)C1=CCCCN1

Molecular Weight¹

125.17

CAS

25343-57-1

Other Names

• Ethanone, 1-(1,4,5,6-tetrahydro-2-pyridinyl)-

• 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°	19.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-141.61	kJ/mol	Joback Calculated Property
ΔfusH°	16.67	kJ/mol	Joback Calculated Property
ΔvapH°	46.37	kJ/mol	Joback Calculated Property
log10WS	-1.47		Crippen Calculated Property
logPoct/wat	0.843		Crippen Calculated Property
McVol	105.880	ml/mol	McGowan Calculated Property
Pc	4200.18	kPa	Joback Calculated Property
Inp	[1017.00; 1062.00]
Inp	1061.00		NIST
Inp	1062.00		NIST
Inp	1017.00		NIST
Inp	1017.00		NIST
Inp	1018.00		NIST
Inp	1049.00		NIST
Inp	1017.00		NIST
Tboil	490.34	K	Joback Calculated Property
Tc	717.23	K	Joback Calculated Property
Tfus	348.51	K	Joback Calculated Property
Vc	0.391	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.40; 290.53]	J/mol×K	[490.34; 717.23]
Cp,gas	220.40	J/mol×K	490.34	Joback Calculated Property
Cp,gas	233.90	J/mol×K	528.16	Joback Calculated Property
Cp,gas	246.65	J/mol×K	565.97	Joback Calculated Property
Cp,gas	258.67	J/mol×K	603.79	Joback Calculated Property
Cp,gas	269.98	J/mol×K	641.60	Joback Calculated Property
Cp,gas	280.60	J/mol×K	679.42	Joback Calculated Property
Cp,gas	290.53	J/mol×K	717.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Acetyl-1,4,5,6-tetrahydropyridine.

Sources

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

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