Chemical Properties of 2-(2-furfuryl)pyrazine

InChI

InChI=1S/C9H8N2O/c1-2-9(12-5-1)6-8-7-10-3-4-11-8/h1-5,7H,6H2

InChI Key

RLPOAXAHNABIKV-UHFFFAOYSA-N

Formula

C9H8N2O

SMILES

c1coc(Cc2cnccn2)c1

Molecular Weight¹

160.17

Other Names

• Pyrazine, 2-(2-furfuryl)

• 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_np : Non-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	0.4390		Relay (1.0) Calculated Property
ΔfG°	219.45	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	161.27	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-0.51		Relay (1.0) Calculated Property
logPoct/wat	1.660		Crippen Calculated Property
McVol	120.280	ml/mol	McGowan Calculated Property
Pc	4383.66	kPa	Relay (1.0-beta) Calculated Property
Inp	[1279.00; 1279.00]
Inp	1279.00		NIST
Inp	1279.00		NIST
Inp	1279.00		NIST
Tboil	523.11	K	Relay (1.0) Calculated Property
Tc	785.86	K	Relay (1.0) Calculated Property
Tfus	289.92	K	Relay (1.0) Calculated Property
Vc	0.481	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-furfuryl)pyrazine.

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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