Chemical Properties of 2,3-Dimethyl-5-n-propylpyrazine (CAS 32262-98-9)

InChI

InChI=1S/C9H14N2/c1-4-5-9-6-10-7(2)8(3)11-9/h6H,4-5H2,1-3H3

InChI Key

RHCYSZMTNWMCOO-UHFFFAOYSA-N

Formula

C9H14N2

SMILES

CCCc1cnc(C)c(C)n1

Molecular Weight¹

150.22

CAS

32262-98-9

Other Names

• 2,3-Dimethyl-5-propylpyrazine

• 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	0.4701		Relay (... Calculated Property
ΔfG°	189.35	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	45.05	kJ/mol	Relay (... Calculated Property
ΔvapH°	57.96	kJ/mol	Relay (... Calculated Property
IE	8.67	eV	Relay (... Calculated Property
log10WS	-0.71		Relay (... Calculated Property
logPoct/wat	2.046		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	2977.56	kPa	Relay (... Calculated Property ⚠️
Inp	[1154.00; 1166.00]
Inp	1166.00		NIST
Inp	1154.00		NIST
Inp	1154.00		NIST
I	1500.00		NIST
Tboil	477.05	K	Relay (... Calculated Property
Tc	697.72	K	Relay (... Calculated Property
Tfus	266.02	K	Relay (... Calculated Property
Vc	0.510	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dimethyl-5-n-propylpyrazine.

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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