Chemical Properties of 2-Piperidinone (CAS 675-20-7)

InChI

InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)

InChI Key

XUWHAWMETYGRKB-UHFFFAOYSA-N

Formula

C5H9NO

SMILES

O=C1CCCCN1

Molecular Weight¹

99.13

CAS

675-20-7

Other Names

• 2-Piperidone
• «alpha»-Piperidone
• «delta»-Valerolactam
• Pentanoic acid, 5-amino-, lactam
• 5-Pentanolactam
• Piperidon
• Piperidone-2
• Delta-valerolactam
• NSC 18894
• NSC 2305
• Valerolactim

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-2947.20 ± 0.42	kJ/mol	NIST
ΔfG°	-11.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-171.76	kJ/mol	Joback Calculated Property
ΔfusH°	8.57	kJ/mol	Joback Calculated Property
ΔvapH°	38.47	kJ/mol	Joback Calculated Property
IE	[9.15; 9.30]	eV
IE	9.15 ± 0.02	eV	NIST
IE	9.30	eV	NIST
log10WS	-0.77		Crippen Calculated Property
logPoct/wat	0.287		Crippen Calculated Property
McVol	82.000	ml/mol	McGowan Calculated Property
Pc	5102.04	kPa	Joback Calculated Property
Inp	[1173.50; 1173.50]
Inp	1173.50		NIST
Inp	1173.50		NIST
I	2060.00		NIST
S°solid,1 bar	[164.80; 165.00]	J/mol×K
S°solid,1 bar	165.00	J/mol×K	NIST
S°solid,1 bar	164.80	J/mol×K	NIST
Tboil	529.20	K	NIST
Tc	692.75	K	Joback Calculated Property
Tfus	312.20 ± 0.50	K	NIST
Ttriple	311.85 ± 0.05	K	NIST
Vc	0.293	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.54; 230.64]	J/mol×K	[454.39; 692.75]
Cp,gas	160.54	J/mol×K	454.39	Joback Calculated Property
Cp,gas	173.63	J/mol×K	494.12	Joback Calculated Property
Cp,gas	186.19	J/mol×K	533.84	Joback Calculated Property
Cp,gas	198.19	J/mol×K	573.57	Joback Calculated Property
Cp,gas	209.61	J/mol×K	613.29	Joback Calculated Property
Cp,gas	220.43	J/mol×K	653.02	Joback Calculated Property
Cp,gas	230.64	J/mol×K	692.75	Joback Calculated Property
Cp,solid	[144.20; 208.30]	J/mol×K	[290.00; 300.00]
Cp,solid	189.80	J/mol×K	290.00	NIST
Cp,solid	208.30	J/mol×K	295.00	NIST
Cp,solid	144.20	J/mol×K	300.00	NIST
ΔfusH	[10.49; 10.50]	kJ/mol	[311.85; 311.90]
ΔfusH	10.50	kJ/mol	311.85	NIST
ΔfusH	10.49	kJ/mol	311.85	NIST
ΔfusH	10.50	kJ/mol	311.90	NIST
ΔvapH	75.50	kJ/mol	302.50	NIST
ΔfusS	[33.60; 33.70]	J/mol×K	[311.85; 311.85]
ΔfusS	33.70	J/mol×K	311.85	NIST
ΔfusS	33.60	J/mol×K	311.85	NIST

Similar Compounds

Find more compounds similar to 2-Piperidinone.

Sources

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

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