Chemical Properties of 2-acetyl-2-pyrroline

InChI

InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h3,7H,2,4H2,1H3

InChI Key

ZEKCQHIPQALHSP-UHFFFAOYSA-N

Formula

C6H9NO

SMILES

CC(=O)C1=CCCN1

Molecular Weight¹

111.14

• ω : Acentric Factor.
• 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).
• 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.
• 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	0.3979		Relay (1.0) Calculated Property
ΔfG°	23.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-84.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.18	kJ/mol	Joback Calculated Property
ΔvapH°	60.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-0.80		Relay (1.0) Calculated Property
logPoct/wat	0.453		Crippen Calculated Property
McVol	91.790	ml/mol	McGowan Calculated Property
Pc	4615.13	kPa	Joback Calculated Property
Inp	[916.00; 929.00]
Inp	916.00		NIST
Inp	929.00		NIST
I	[1327.00; 1327.00]
I	1327.00		NIST
I	1327.00		NIST
Tboil	476.83	K	Relay (1.0) Calculated Property
Tc	709.30	K	Relay (1.0) Calculated Property
Tfus	356.03	K	Relay (1.0) Calculated Property
Vc	0.322	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.23; 239.16]	J/mol×K	[463.19; 684.93]
Cp,gas	180.23	J/mol×K	463.19	Joback Calculated Property
Cp,gas	191.55	J/mol×K	500.15	Joback Calculated Property
Cp,gas	202.24	J/mol×K	537.10	Joback Calculated Property
Cp,gas	212.33	J/mol×K	574.06	Joback Calculated Property
Cp,gas	221.83	J/mol×K	611.02	Joback Calculated Property
Cp,gas	230.77	J/mol×K	647.98	Joback Calculated Property
Cp,gas	239.16	J/mol×K	684.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-acetyl-2-pyrroline.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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