Chemical Properties of 2-Pyrrolidinone, 1-(1-(4-methylbenzoyl)ethyl)

InChI

InChI=1S/C14H17NO2/c1-10-5-7-12(8-6-10)14(17)11(2)15-9-3-4-13(15)16/h5-8,11H,3-4,9H2,1-2H3

InChI Key

MQHIRDVFNSYBCC-UHFFFAOYSA-N

Formula

C14H17NO2

SMILES

Cc1ccc(C(=O)C(C)N2CCCC2=O)cc1

Molecular Weight¹

231.29

Other Names

• 4'-Methyl-«alpha»-pyrrolidinopropiophenone-M (oxo-)

• 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	0.5863		Relay (1.0) Calculated Property
ΔfG°	9.23	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-289.75	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	87.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-1.93		Relay (1.0) Calculated Property
logPoct/wat	2.189		Crippen Calculated Property
McVol	186.620	ml/mol	McGowan Calculated Property
Pc	2105.42	kPa	Relay (1.0-beta) Calculated Property
Inp	[1920.00; 1920.00]
Inp	1920.00		NIST
Inp	1920.00		NIST
Tboil	622.89	K	Relay (1.0) Calculated Property
Tc	860.12	K	Relay (1.0) Calculated Property
Tfus	370.22	K	Relay (1.0) Calculated Property
Vc	0.672	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Pyrrolidinone, 1-(1-(4-methylbenzoyl)ethyl).

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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