Chemical Properties of N-octyl-2-pyrrolidone

InChI

InChI=1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3

InChI Key

WPPOGHDFAVQKLN-UHFFFAOYSA-N

Formula

C12H23NO

SMILES

CCCCCCCCN1CCCC1=O

Molecular Weight¹

197.32

Other Names

• 1-octyl-2-pyrrolidinone
• 1-octyl-2-pyrrolidone
• N-octyl-2-pyrrolidinone

• 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).
• ρ_l : Liquid Density (kg/m³).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ρl	[900.17; 918.45]	kg/m3	[298.15; 323.15]
ρl	918.45	kg/m3	298.15	Excess thermodynamic properties of ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate and N-octyl-2-pyrrolidone from T = (298.15 to 323.15) K at atmospheric pressure
ρl	914.80	kg/m3	303.15	Excess thermodynamic properties of ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate and N-octyl-2-pyrrolidone from T = (298.15 to 323.15) K at atmospheric pressure
ρl	911.14	kg/m3	308.15	Excess thermodynamic properties of ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate and N-octyl-2-pyrrolidone from T = (298.15 to 323.15) K at atmospheric pressure
ρl	907.49	kg/m3	313.15	Excess thermodynamic properties of ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate and N-octyl-2-pyrrolidone from T = (298.15 to 323.15) K at atmospheric pressure
ρl	903.83	kg/m3	318.15	Excess thermodynamic properties of ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate and N-octyl-2-pyrrolidone from T = (298.15 to 323.15) K at atmospheric pressure
ρl	900.17	kg/m3	323.15	Excess thermodynamic properties of ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate and N-octyl-2-pyrrolidone from T = (298.15 to 323.15) K at atmospheric pressure

Similar Compounds

Find more compounds similar to N-octyl-2-pyrrolidone.

Mixtures

• Carbon dioxide + N-octyl-2-pyrrolidone

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
• Excess thermodynamic properties of ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate and N-octyl-2-pyrrolidone from T = (298.15 to 323.15) K at atmospheric pressure
• Phase behaviour for the (CO2 + 1-butyl-2-pyrrolidone) and (CO2 + 1-octyl-2-pyrrolidone) systems at temperatures from (313.2 to 393.2) K and pressures up to 28 MPa
• McGowan Method

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