Chemical Properties of 1[5'-(hydroxymethyl)furfuryl]pyrrolidine

InChI

InChI=1S/C10H15NO2/c12-8-10-4-3-9(13-10)7-11-5-1-2-6-11/h3-4,12H,1-2,5-8H2

InChI Key

POLAFJCRVYXYDM-UHFFFAOYSA-N

Formula

C10H15NO2

SMILES

OCc1ccc(CN2CCCC2)o1

Molecular Weight¹

181.23

Other Names

• 1-(5-(hydroxymethyl)furfuryl)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	0.7126		Relay (1.0) Calculated Property
ΔfG°	-25.45	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-244.51	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	87.06	kJ/mol	Relay (1.0) Calculated Property
IE	7.88	eV	Relay (1.0) Calculated Property
log10WS	0.09		Relay (1.0) Calculated Property
logPoct/wat	1.368		Crippen Calculated Property
McVol	143.160	ml/mol	McGowan Calculated Property
Pc	2756.98	kPa	Relay (1.0-beta) Calculated Property
I	[2375.00; 2375.00]
I	2375.00		NIST
I	2375.00		NIST
Tboil	560.82	K	Relay (1.0) Calculated Property
Tc	781.52	K	Relay (1.0) Calculated Property
Tfus	343.84	K	Relay (1.0) Calculated Property
Vc	0.541	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1[5'-(hydroxymethyl)furfuryl]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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