Chemical Properties of 2-Propanone, 1-[4-(1-methyl-2-pyrrolidinyl)-1-methyl-2-pyrrolidinyl]-

InChI

InChI=1S/C13H24N2O/c1-10(16)7-12-8-11(9-15(12)3)13-5-4-6-14(13)2/h11-13H,4-9H2,1-3H3

InChI Key

SLROEDGDHUPKNL-UHFFFAOYSA-N

Formula

C13H24N2O

SMILES

CC(=O)CC1CC(C2CCCN2C)CN1C

Molecular Weight¹

224.34

Other Names

• 2',4-N-Methylpyrrolidinylhygrine

• 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	0.5020		Relay (... Calculated Property
ΔfG°	117.09	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-250.17	kJ/mol	Relay (... Calculated Property
ΔvapH°	81.51	kJ/mol	Relay (... Calculated Property
IE	7.67	eV	Relay (... Calculated Property
log10WS	-0.25		Relay (... Calculated Property
logPoct/wat	1.380		Crippen Calculated Property
McVol	193.840	ml/mol	McGowan Calculated Property
Pc	2102.19	kPa	Relay (... Calculated Property ⚠️
Inp	[1567.00; 1570.00]
Inp	1567.00		NIST
Inp	1570.00		NIST
Inp	1570.00		NIST
Inp	1570.00		NIST
Inp	1567.00		NIST
Tboil	564.40	K	Relay (... Calculated Property
Tc	786.22	K	Relay (... Calculated Property
Tfus	333.25	K	Relay (... Calculated Property
Vc	0.693	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanone, 1-[4-(1-methyl-2-pyrrolidinyl)-1-methyl-2-pyrrolidinyl]-.

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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