Chemical Properties of Pyrazine, 2-(2-furfuryl)-3,5-dimethyl

InChI

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

InChI Key

AYHLQEAYCNZHDY-UHFFFAOYSA-N

Formula

C11H12N2O

SMILES

Cc1cnc(Cc2ccco2)c(C)n1

Molecular Weight¹

188.23

Other Names

• 3-(2-furfuryl)-2,6-dimethylpyrazine

• 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	0.4942		Relay (... Calculated Property
ΔfG°	205.00	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	84.22	kJ/mol	Relay (... Calculated Property
ΔvapH°	70.12	kJ/mol	Relay (... Calculated Property
IE	8.55	eV	Relay (... Calculated Property
log10WS	-1.12		Relay (... Calculated Property
logPoct/wat	2.277		Crippen Calculated Property
McVol	148.460	ml/mol	McGowan Calculated Property
Pc	3356.30	kPa	Relay (... Calculated Property ⚠️
Inp	[1417.00; 1418.00]
Inp	1418.00		NIST
Inp	1417.00		NIST
Tboil	540.67	K	Relay (... Calculated Property
Tc	790.25	K	Relay (... Calculated Property
Tfus	303.34	K	Relay (... Calculated Property
Vc	0.583	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Pyrazine, 2-(2-furfuryl)-3,5-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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