Chemical Properties of 2-Pyrrolidineethanol (CAS 19432-88-3)

InChI

InChI=1S/C6H9NO/c8-5-3-6-2-1-4-7-6/h1-2,4,7-8H,3,5H2

InChI Key

XBVPIPOORLGFGK-UHFFFAOYSA-N

Formula

C6H9NO

SMILES

OCCc1ccc[nH]1

Molecular Weight¹

111.14

CAS

19432-88-3

Other Names

• pyrrolidine-2-ethanol

• 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	0.6369		Relay (1.0) Calculated Property
ΔfG°	17.05	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-132.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	76.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	0.14		Relay (1.0) Calculated Property
logPoct/wat	0.068		Crippen Calculated Property
McVol	91.790	ml/mol	McGowan Calculated Property
Pc	4841.32	kPa	Relay (1.0-beta) Calculated Property
Inp	[986.00; 997.00]
Inp	986.00		NIST
Inp	997.00		NIST
Inp	986.00		NIST
Tboil	530.63	K	Relay (1.0) Calculated Property
Tc	779.80	K	Relay (1.0) Calculated Property
Tfus	288.85	K	Relay (1.0) Calculated Property
Vc	0.325	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Pyrrolidineethanol.

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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