Chemical Properties of 2-(2-resp-3-methyl-1-pyrrolyl)ethan-l-ol

InChI

InChI=1S/C7H11NO/c1-7-3-2-4-8(7)5-6-9/h2-4,9H,5-6H2,1H3

InChI Key

FBKRNPLLIWQEPY-UHFFFAOYSA-N

Formula

C7H11NO

SMILES

Cc1cccn1CCO

Molecular Weight¹

125.17

• 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	0.6400		Relay (1.0) Calculated Property
ΔfG°	50.10	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-158.62	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	73.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	0.42		Relay (1.0) Calculated Property
logPoct/wat	0.789		Crippen Calculated Property
McVol	105.880	ml/mol	McGowan Calculated Property
Pc	3963.14	kPa	Relay (1.0-beta) Calculated Property
I	[1991.00; 1991.00]
I	1991.00		NIST
I	1991.00		NIST
Tboil	513.08	K	Relay (1.0) Calculated Property
Tc	732.98	K	Relay (1.0) Calculated Property
Tfus	267.49	K	Relay (1.0) Calculated Property
Vc	0.383	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-resp-3-methyl-1-pyrrolyl)ethan-l-ol.

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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