Chemical Properties of Pyrazine, 2-(2-furfuryl)-3,6-dimethyl

InChI

InChI=1S/C11H12N2O/c1-8-7-12-9(2)11(13-8)6-10-4-3-5-14-10/h3-5,7H,6H2,1-2H3

InChI Key

QJSGHKNKGABEQR-UHFFFAOYSA-N

Formula

C11H12N2O

SMILES

Cc1cnc(C)c(Cc2ccco2)n1

Molecular Weight¹

188.23

Other Names

• 3-(2-furfuryl)-2,5-dimethylpyrazine
• 3-Furfuryl-2,5-dimethyl pyrazine

• 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	0.4937		Relay (1.0) Calculated Property
ΔfG°	206.01	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	82.90	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	72.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-1.07		Relay (1.0) Calculated Property
logPoct/wat	2.277		Crippen Calculated Property
McVol	148.460	ml/mol	McGowan Calculated Property
Pc	3346.72	kPa	Relay (1.0-beta) Calculated Property
Inp	[1409.00; 1429.00]
Inp	1409.00		NIST
Inp	1429.00		NIST
Inp	1413.00		NIST
Tboil	540.38	K	Relay (1.0) Calculated Property
Tc	788.63	K	Relay (1.0) Calculated Property
Tfus	306.38	K	Relay (1.0) Calculated Property
Vc	0.582	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyrazine, 2-(2-furfuryl)-3,6-dimethyl.

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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