Chemical Properties of 2-Ethoxy-3-methyl-5-(2-methylbutyl)pyrazine

InChI

InChI=1S/C12H20N2O/c1-5-9(3)7-11-8-13-12(15-6-2)10(4)14-11/h8-9H,5-7H2,1-4H3

InChI Key

MGDZRKFPZNBRCH-UHFFFAOYSA-N

Formula

C12H20N2O

SMILES

CCOc1ncc(CC(C)CC)nc1C

Molecular Weight¹

208.30

Other Names

• Pyrazine, 2-ethoxy-3-methyl-5-(2-methylbutyl)

• 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.
• 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	0.5853		Relay (... Calculated Property
ΔfG°	101.09	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-213.58	kJ/mol	Relay (... Calculated Property
ΔvapH°	68.25	kJ/mol	Relay (... Calculated Property
IE	8.36	eV	Relay (... Calculated Property
log10WS	-2.50		Relay (... Calculated Property
logPoct/wat	2.772		Crippen Calculated Property
McVol	182.010	ml/mol	McGowan Calculated Property
Pc	2203.79	kPa	Relay (... Calculated Property ⚠️
Inp	[1415.00; 1415.00]
Inp	1415.00		NIST
Inp	1415.00		NIST
I	[1693.00; 1693.00]
I	1693.00		NIST
I	1693.00		NIST
Tboil	518.26	K	Relay (... Calculated Property
Tc	743.42	K	Relay (... Calculated Property
Tfus	261.11	K	Relay (... Calculated Property
Vc	0.670	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethoxy-3-methyl-5-(2-methylbutyl)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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