Chemical Properties of 1-Ethyl-2-pyrrolidinone (CAS 2687-91-4)

InChI

InChI=1S/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3

InChI Key

ZFPGARUNNKGOBB-UHFFFAOYSA-N

Formula

C6H11NO

SMILES

CCN1CCCC1=O

Molecular Weight¹

113.16

CAS

2687-91-4

Other Names

• 1-Ethyl-2-pyrrolidone
• 1-ethylpyrrolidin-2-one
• 2-Pyrrolidinone, 1-ethyl-
• Agsol Ex 2
• N-Ethyl-2-pyrrolidone
• N-Ethylpyrrolidinone
• N-Ethylpyrrolidone
• NEP

• 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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• 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	0.3940		Relay (1.0) Calculated Property
ΔfG°	-19.11	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-225.13	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	52.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	0.65		Relay (1.0) Calculated Property
logPoct/wat	0.629		Crippen Calculated Property
McVol	96.090	ml/mol	McGowan Calculated Property
Pc	3745.15	kPa	Relay (1.0-beta) Calculated Property
I	[1856.00; 1856.00]
I	1856.00		NIST
I	1856.00		NIST
Tboil	490.49	K	Relay (1.0) Calculated Property
Tc	707.19	K	Relay (1.0) Calculated Property
Tfus	243.81	K	Relay (1.0) Calculated Property
Vc	0.350	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
n0	[1.45147; 1.46461]		[293.00; 323.00]
n0	1.46461		293.00	Influence of Temperature and Composition upon Density, Viscosity, Speed of Sound, and Refractive Index of Aqueous Solutions of 1-Ethyl-2-pyrrolidinone
n0	1.46192		298.00	Influence of Temperature and Composition upon Density, Viscosity, Speed of Sound, and Refractive Index of Aqueous Solutions of 1-Ethyl-2-pyrrolidinone
n0	1.45791		303.00	Influence of Temperature and Composition upon Density, Viscosity, Speed of Sound, and Refractive Index of Aqueous Solutions of 1-Ethyl-2-pyrrolidinone
n0	1.45415		313.00	Influence of Temperature and Composition upon Density, Viscosity, Speed of Sound, and Refractive Index of Aqueous Solutions of 1-Ethyl-2-pyrrolidinone
n0	1.45147		323.00	Influence of Temperature and Composition upon Density, Viscosity, Speed of Sound, and Refractive Index of Aqueous Solutions of 1-Ethyl-2-pyrrolidinone
ρl	[971.96; 997.71]	kg/m3	[293.15; 323.15]
ρl	997.71	kg/m3	293.15	Density, Speed of Sound, Viscosity, and Excess Properties of N-Ethyl-2-pyrrolidone + 2-(Methylamino)ethanol [or 2-(Ethylamino)ethanol] from T = (293.15 to 323.15) K
ρl	989.14	kg/m3	303.15	Density, Speed of Sound, Viscosity, and Excess Properties of N-Ethyl-2-pyrrolidone + 2-(Methylamino)ethanol [or 2-(Ethylamino)ethanol] from T = (293.15 to 323.15) K
ρl	980.56	kg/m3	313.15	Density, Speed of Sound, Viscosity, and Excess Properties of N-Ethyl-2-pyrrolidone + 2-(Methylamino)ethanol [or 2-(Ethylamino)ethanol] from T = (293.15 to 323.15) K
ρl	971.96	kg/m3	323.15	Density, Speed of Sound, Viscosity, and Excess Properties of N-Ethyl-2-pyrrolidone + 2-(Methylamino)ethanol [or 2-(Ethylamino)ethanol] from T = (293.15 to 323.15) K
csound,fluid	[1400.60; 1513.20]	m/s	[293.15; 323.15]
csound,fluid	1513.20	m/s	293.15	Density, Speed of Sound, Viscosity, Surface Tension, and Excess Volume of N-Ethyl-2-pyrrolidone + Ethanolamine (or Diethanolamine or Triethanolamine) from T = (293.15 to 323.15) K
csound,fluid	1475.00	m/s	303.15	Density, Speed of Sound, Viscosity, Surface Tension, and Excess Volume of N-Ethyl-2-pyrrolidone + Ethanolamine (or Diethanolamine or Triethanolamine) from T = (293.15 to 323.15) K
csound,fluid	1437.60	m/s	313.15	Density, Speed of Sound, Viscosity, Surface Tension, and Excess Volume of N-Ethyl-2-pyrrolidone + Ethanolamine (or Diethanolamine or Triethanolamine) from T = (293.15 to 323.15) K
csound,fluid	1400.60	m/s	323.15	Density, Speed of Sound, Viscosity, Surface Tension, and Excess Volume of N-Ethyl-2-pyrrolidone + Ethanolamine (or Diethanolamine or Triethanolamine) from T = (293.15 to 323.15) K

Similar Compounds

Find more compounds similar to 1-Ethyl-2-pyrrolidinone.

Mixtures

• Monoethanolamine + 1-Ethyl-2-pyrrolidinone
• Diethanolamine + 1-Ethyl-2-pyrrolidinone
• 1-Ethyl-2-pyrrolidinone + Triethanolamine
• Monoethanolamine + 1-Ethyl-2-pyrrolidinone + Water
• 1-Ethyl-2-pyrrolidinone + Water
• 1-Ethyl-2-pyrrolidinone + Ethanol, 2-(methylamino)-
• Ethanol, 2-(ethylamino)- + 1-Ethyl-2-pyrrolidinone
• Carbon dioxide + 1-Ethyl-2-pyrrolidinone

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
• High Pressure Phase Behavior of Carbon Dioxide + 1-Methyl-2-pyrrolidinone and Carbon Dioxide + 1-Ethyl-2-pyrrolidinone Systems
• Density, Speed of Sound, Viscosity, Surface Tension, and Excess Volume of N-Ethyl-2-pyrrolidone + Ethanolamine (or Diethanolamine or Triethanolamine) from T = (293.15 to 323.15) K
• Density, Speed of Sound, and Viscosity of Monoethanolamine + Water + N-Ethyl-2-pyrrolidone from T = (293.15 to 323.15) K
• Density, Speed of Sound, Viscosity, and Excess Properties of N-Ethyl-2-pyrrolidone + 2-(Methylamino)ethanol [or 2-(Ethylamino)ethanol] from T = (293.15 to 323.15) K
• Surface Tension of Aqueous Solutions of Short N-Alkyl-2-pyrrolidinones
• Influence of Temperature and Composition upon Density, Viscosity, Speed of Sound, and Refractive Index of Aqueous Solutions of 1-Ethyl-2-pyrrolidinone
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.