Chemical Properties of 2-(1-pyrrolidinyl)-2-cyclopenten-1-one

InChI

InChI=1S/C9H13NO/c11-9-5-3-4-8(9)10-6-1-2-7-10/h4H,1-3,5-7H2

InChI Key

ZWFIWLWLIXMBEA-UHFFFAOYSA-N

Formula

C9H13NO

SMILES

O=C1CCC=C1N1CCCC1

Molecular Weight¹

151.21

• 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).
• 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
ω	0.4474		Relay (1.0) Calculated Property
ΔfG°	83.71	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-79.51	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	63.05	kJ/mol	Relay (1.0) Calculated Property
IE	7.72	eV	Relay (1.0) Calculated Property
log10WS	-1.45		Relay (1.0) Calculated Property
logPoct/wat	1.329		Crippen Calculated Property
McVol	123.200	ml/mol	McGowan Calculated Property
Pc	3314.75	kPa	Relay (1.0-beta) Calculated Property
Inp	[1595.00; 1595.00]
Inp	1595.00		NIST
Inp	1595.00		NIST
Tboil	528.12	K	Relay (1.0) Calculated Property
Tc	771.78	K	Relay (1.0) Calculated Property
Tfus	354.58	K	Relay (1.0) Calculated Property
Vc	0.440	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-(1-pyrrolidinyl)-2-cyclopenten-1-one.

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
• McGowan Method
• NIST Webbook

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