Chemical Properties of 2- (5-methyl-2-furfuryl)methylpyrazine

InChI

InChI=1S/C10H10N2O/c1-8-2-3-10(13-8)6-9-7-11-4-5-12-9/h2-5,7H,6H2,1H3

InChI Key

VRNZQIBMBJNKEN-UHFFFAOYSA-N

Formula

C10H10N2O

SMILES

Cc1ccc(Cc2cnccn2)o1

Molecular Weight¹

174.20

• 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	0.4826		Relay (... Calculated Property
ΔfG°	198.23	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	86.79	kJ/mol	Relay (... Calculated Property
ΔvapH°	72.48	kJ/mol	Relay (... Calculated Property
IE	8.83	eV	Relay (... Calculated Property
log10WS	-0.68		Relay (... Calculated Property
logPoct/wat	1.969		Crippen Calculated Property
McVol	134.370	ml/mol	McGowan Calculated Property
Pc	3816.58	kPa	Relay (... Calculated Property ⚠️
I	[1652.00; 1652.00]
I	1652.00		NIST
I	1652.00		NIST
Tboil	534.93	K	Relay (... Calculated Property
Tc	789.52	K	Relay (... Calculated Property
Tfus	290.94	K	Relay (... Calculated Property
Vc	0.532	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2- (5-methyl-2-furfuryl)methylpyrazine.

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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