Chemical Properties of 1-(5'-methylfurfuryl)pyrrolidine

InChI

InChI=1S/C10H15NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h4-5H,2-3,6-8H2,1H3

InChI Key

IETSEKPJTAMXGM-UHFFFAOYSA-N

Formula

C10H15NO

SMILES

Cc1ccc(CN2CCCC2)o1

Molecular Weight¹

165.23

Other Names

• Pyrrolidine, 1-(5-methylfurfuryl)

• 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.
• 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	0.4434		Relay (1.0) Calculated Property
ΔfG°	102.77	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-104.86	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	56.72	kJ/mol	Relay (1.0) Calculated Property
IE	7.60	eV	Relay (1.0) Calculated Property
log10WS	-0.25		Relay (1.0) Calculated Property
logPoct/wat	2.184		Crippen Calculated Property
McVol	137.290	ml/mol	McGowan Calculated Property
Pc	2839.43	kPa	Relay (1.0-beta) Calculated Property
Inp	[1225.00; 1226.00]
Inp	1225.00		NIST
Inp	1226.00		NIST
Inp	1225.00		NIST
I	[1600.00; 1600.00]
I	1600.00		NIST
I	1600.00		NIST
Tboil	496.73	K	Relay (1.0) Calculated Property
Tc	702.82	K	Relay (1.0) Calculated Property
Tfus	247.17	K	Relay (1.0) Calculated Property
Vc	0.524	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-(5'-methylfurfuryl)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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