Chemical Properties of 3-(5-methylfurfuryl)pyrrole

InChI

InChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-5,7,11H,6H2,1H3

InChI Key

WKJYTIFWOMZIGZ-UHFFFAOYSA-N

Formula

C10H11NO

SMILES

Cc1ccc(Cc2cc[nH]c2)o1

Molecular Weight¹

161.20

• 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	0.4721		Relay (1.0) Calculated Property
ΔfG°	132.05	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-23.63	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-1.49		Relay (1.0) Calculated Property
logPoct/wat	2.025		Crippen Calculated Property
McVol	128.690	ml/mol	McGowan Calculated Property
Pc	3581.33	kPa	Relay (1.0-beta) Calculated Property
I	[2355.00; 2355.00]
I	2355.00		NIST
I	2355.00		NIST
Tboil	538.89	K	Relay (1.0) Calculated Property
Tc	780.08	K	Relay (1.0) Calculated Property
Tfus	289.35	K	Relay (1.0) Calculated Property
Vc	0.508	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-(5-methylfurfuryl)pyrrole.

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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