Chemical Properties of Pyrazine, 2-ethoxy-3-methyl-5-(2-methylpentyl)

InChI

InChI=1S/C13H22N2O/c1-5-7-10(3)8-12-9-14-13(16-6-2)11(4)15-12/h9-10H,5-8H2,1-4H3

InChI Key

VBKZIEKIZTVOGB-UHFFFAOYSA-N

Formula

C13H22N2O

SMILES

CCCC(C)Cc1cnc(OCC)c(C)n1

Molecular Weight¹

222.33

• 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	0.6218		Relay (... Calculated Property
ΔfG°	106.97	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-229.26	kJ/mol	Relay (... Calculated Property
ΔvapH°	72.22	kJ/mol	Relay (... Calculated Property
IE	8.37	eV	Relay (... Calculated Property
log10WS	-2.92		Relay (... Calculated Property
logPoct/wat	3.162		Crippen Calculated Property
McVol	196.100	ml/mol	McGowan Calculated Property
Pc	2041.60	kPa	Relay (... Calculated Property ⚠️
I	[1771.00; 1771.00]
I	1771.00		NIST
I	1771.00		NIST
Tboil	532.02	K	Relay (... Calculated Property
Tc	754.67	K	Relay (... Calculated Property
Tfus	255.52	K	Relay (... Calculated Property
Vc	0.724	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Pyrazine, 2-ethoxy-3-methyl-5-(2-methylpentyl).

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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