Chemical Properties of 1-(2-HYDROXYETHYL)PYRROLIDINE

InChI

InChI=1S/C6H13NO/c8-6-5-7-3-1-2-4-7/h8H,1-6H2

InChI Key

XBRDBODLCHKXHI-UHFFFAOYSA-N

Formula

C6H13NO

SMILES

OCCN1CCCC1

Molecular Weight¹

115.18

Other Names

• 1-Pyrrolidineethanol
• 2-(1-pyrrolidino)ethanol
• 2-(1-pyrrolidinyl)ethanol
• 2-pyrrolidin-1-ylethanol
• HEP
• N-(2-Hydroxethyl)pyrrolidine
• N-(2-hydroxyethyl)pyrrolidine
• Pyrrolidinoethanol

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boil : Boiling point at given pressure (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	61.43	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	0.075		Crippen Calculated Property
McVol	100.390	ml/mol	McGowan Calculated Property
I	[1552.00; 1590.00]
I	1552.00		NIST
I	1564.00		NIST
I	1590.00		NIST
I	1552.00		NIST
Tboil	458.35	K	Relay (1.0) Calculated Property
Tfus	260.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboil	[360.60; 449.80]	K	[2.80; 89.80]
Tboil	360.60	K	2.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	372.20	K	4.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	388.80	K	9.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	405.50	K	19.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	417.00	K	29.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	426.10	K	39.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	432.60	K	49.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	438.10	K	59.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	442.60	K	69.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	446.90	K	79.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	449.80	K	89.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboilr	353.20	K	1.70	NIST

Similar Compounds

Find more compounds similar to 1-(2-HYDROXYETHYL)PYRROLIDINE.

Mixtures

• 1-(2-HYDROXYETHYL)PYRROLIDINE + Water
• N-Methyl-1,3-propanediamine + 1-(2-HYDROXYETHYL)PYRROLIDINE + Water

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
• Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.