Chemical Properties of N-(2'-Methylbutyl)pyrrolidine

InChI

InChI=1S/C9H19N/c1-3-9(2)8-10-6-4-5-7-10/h9H,3-8H2,1-2H3

InChI Key

GBAJVBMOIARZCQ-UHFFFAOYSA-N

Formula

C9H19N

SMILES

CCC(C)CN1CCCC1

Molecular Weight¹

141.25

Other Names

• N-(2-Methylbutyl)pyrrolidine

• 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 : 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	0.3937		Relay (1.0) Calculated Property
ΔfG°	125.04	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-125.06	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	47.09	kJ/mol	Relay (1.0) Calculated Property
IE	7.85	eV	Relay (1.0) Calculated Property
log10WS	-1.16		Relay (1.0) Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	136.790	ml/mol	McGowan Calculated Property
Pc	2639.76	kPa	Relay (1.0-beta) Calculated Property
I	[1093.00; 1093.00]
I	1093.00		NIST
I	1093.00		NIST
I	1093.00		NIST
Tboil	435.99	K	Relay (1.0) Calculated Property
Tc	622.23	K	Relay (1.0) Calculated Property
Tfus	190.01	K	Relay (1.0) Calculated Property
Vc	0.497	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-(2'-Methylbutyl)pyrrolidine.

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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