Chemical Properties of Pyrazine, 2-(n-propyl)- (CAS 18138-03-9)

InChI

InChI=1S/C7H10N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,2-3H2,1H3

InChI Key

DJLLTFRHLPVCEL-UHFFFAOYSA-N

Formula

C7H10N2

SMILES

CCCc1cnccn1

Molecular Weight¹

122.17

CAS

18138-03-9

Other Names

• Propylpyrazine
• 2-Propylpyrazine
• N-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	0.4027		Relay (... Calculated Property
ΔfG°	211.59	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	116.86	kJ/mol	Relay (... Calculated Property
ΔvapH°	53.04	kJ/mol	Relay (... Calculated Property
IE	9.36	eV	Relay (... Calculated Property
log10WS	0.01		Relay (... Calculated Property
logPoct/wat	1.429		Crippen Calculated Property
McVol	105.690	ml/mol	McGowan Calculated Property
Pc	3733.79	kPa	Relay (... Calculated Property ⚠️
Inp	[980.00; 1010.00]
Inp	1010.00		NIST
Inp	980.00		NIST
Inp	1009.00		NIST
Inp	986.00		NIST
Inp	986.00		NIST
Inp	980.00		NIST
I	[1404.00; 1447.00]
I	1428.00		NIST
I	1428.00		NIST
I	Outlier 1404.00		NIST
I	1447.00		NIST
I	1447.00		NIST
I	1447.00		NIST
I	1425.00		NIST
I	1430.00		NIST
Tboil	448.13	K	Relay (... Calculated Property
Tc	677.33	K	Relay (... Calculated Property
Tfus	235.68	K	Relay (... Calculated Property
Vc	0.397	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Pyrazine, 2-(n-propyl)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.