Chemical Properties of 3-(3-resp-2-methyl-1-pyrrolyl)propanol

InChI

InChI=1S/C8H13NO/c1-8-4-2-5-9(8)6-3-7-10/h2,4-5,10H,3,6-7H2,1H3

InChI Key

MJLJQQATDBLMEE-UHFFFAOYSA-N

Formula

C8H13NO

SMILES

Cc1cccn1CCCO

Molecular Weight¹

139.19

• 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	0.6824		Relay (1.0) Calculated Property
ΔfG°	53.97	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-170.43	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	82.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	0.13		Relay (1.0) Calculated Property
logPoct/wat	1.179		Crippen Calculated Property
McVol	119.970	ml/mol	McGowan Calculated Property
Pc	3661.56	kPa	Relay (1.0-beta) Calculated Property
I	[1917.00; 1917.00]
I	1917.00		NIST
I	1917.00		NIST
Tboil	527.34	K	Relay (1.0) Calculated Property
Tc	744.39	K	Relay (1.0) Calculated Property
Tfus	274.61	K	Relay (1.0) Calculated Property
Vc	0.436	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-(3-resp-2-methyl-1-pyrrolyl)propanol.

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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