Chemical Properties of 1,3-Dimethyl-pyrrolidine

InChI

InChI=1S/C6H13N/c1-6-3-4-7(2)5-6/h6H,3-5H2,1-2H3

InChI Key

IGNGFGXAWDQJGP-UHFFFAOYSA-N

Formula

C6H13N

SMILES

CC1CCN(C)C1

Molecular Weight¹

99.17

Other Names

• Pyrrolidine, 1,3-dimethyl

• 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	0.2924		Relay (1.0) Calculated Property
ΔfG°	115.34	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-30.60	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	36.12	kJ/mol	Relay (1.0) Calculated Property
IE	7.82	eV	Relay (1.0) Calculated Property
log10WS	0.15		Relay (1.0) Calculated Property
logPoct/wat	0.958		Crippen Calculated Property
McVol	94.520	ml/mol	McGowan Calculated Property
Pc	3705.53	kPa	Relay (1.0-beta) Calculated Property
Inp	[716.00; 716.00]
Inp	716.00		NIST
Inp	716.00		NIST
Inp	716.00		NIST
Tboil	361.82	K	Relay (1.0) Calculated Property
Tc	554.55	K	Relay (1.0) Calculated Property
Tfus	178.67	K	Relay (1.0) Calculated Property
Vc	0.348	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dimethyl-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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