Chemical Properties of Pyrazine, methyl- (CAS 109-08-0)

InChI

InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3

InChI Key

CAWHJQAVHZEVTJ-UHFFFAOYSA-N

Formula

C5H6N2

SMILES

Cc1cnccn1

Molecular Weight¹

94.11

CAS

109-08-0

Other Names

• 2-Methyl pyrazine
• 2-methyl-1,4-diazine
• 2-methylpyrazine
• methylpyrazine
• pyrazine, 2-methyl-

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2749		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔfH°gas	160.31	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	43.70 ± 1.90	kJ/mol	NIST
IE	9.29	eV	Relay (1.0) Calculated Property
logPoct/wat	0.785		Crippen Calculated Property
McVol	77.510	ml/mol	McGowan Calculated Property
Pc	[5005.45; 5010.00]	kPa
Pc	5010.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Pc	5005.45	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[785.00; 856.00]
Inp	812.00		NIST
Inp	812.00		NIST
Inp	852.00		NIST
Inp	849.00		NIST
Inp	852.00		NIST
Inp	849.00		NIST
Inp	802.00		NIST
Inp	796.00		NIST
Inp	793.00		NIST
Inp	805.00		NIST
Inp	800.00		NIST
Inp	794.00		NIST
Inp	796.00		NIST
Inp	806.00		NIST
Inp	806.00		NIST
Inp	827.00		NIST
Inp	826.00		NIST
Inp	823.00		NIST
Inp	816.00		NIST
Inp	839.00		NIST
Inp	839.00		NIST
Inp	833.00		NIST
Inp	825.00		NIST
Inp	843.00		NIST
Inp	825.00		NIST
Inp	837.00		NIST
Inp	838.00		NIST
Inp	830.00		NIST
Inp	830.00		NIST
Inp	839.00		NIST
Inp	839.00		NIST
Inp	795.00		NIST
Inp	836.00		NIST
Inp	837.00		NIST
Inp	837.00		NIST
Inp	837.00		NIST
Inp	825.00		NIST
Inp	823.19		NIST
Inp	829.00		NIST
Inp	802.00		NIST
Inp	833.00		NIST
Inp	835.00		NIST
Inp	833.00		NIST
Inp	796.00		NIST
Inp	798.00		NIST
Inp	798.00		NIST
Inp	794.70		NIST
Inp	799.00		NIST
Inp	800.00		NIST
Inp	792.00		NIST
Inp	805.00		NIST
Inp	799.00		NIST
Inp	799.00		NIST
Inp	805.10		NIST
Inp	802.50		NIST
Inp	802.80		NIST
Inp	798.00		NIST
Inp	799.00		NIST
Inp	798.00		NIST
Inp	799.00		NIST
Inp	807.00		NIST
Inp	807.00		NIST
Inp	798.00		NIST
Inp	845.00		NIST
Inp	799.00		NIST
Inp	807.00		NIST
Inp	836.00		NIST
Inp	840.00		NIST
Inp	836.00		NIST
Inp	836.00		NIST
Inp	840.00		NIST
Inp	829.00		NIST
Inp	838.00		NIST
Inp	844.00		NIST
Inp	837.00		NIST
Inp	839.00		NIST
Inp	801.00		NIST
Inp	801.00		NIST
Inp	836.00		NIST
Inp	824.00		NIST
Inp	841.00		NIST
Inp	840.00		NIST
Inp	820.00		NIST
Inp	795.00		NIST
Inp	824.00		NIST
Inp	851.00		NIST
Inp	833.00		NIST
Inp	Outlier 856.00		NIST
Inp	834.00		NIST
Inp	834.00		NIST
Inp	843.00		NIST
Inp	799.00		NIST
Inp	827.00		NIST
Inp	825.00		NIST
Inp	836.00		NIST
Inp	799.00		NIST
Inp	804.00		NIST
Inp	828.00		NIST
Inp	806.00		NIST
Inp	802.00		NIST
Inp	785.00		NIST
Inp	803.00		NIST
Inp	803.00		NIST
Inp	796.00		NIST
Inp	800.00		NIST
Inp	803.00		NIST
Inp	796.00		NIST
Inp	802.00		NIST
Inp	796.00		NIST
Inp	800.00		NIST
Inp	802.00		NIST
Inp	796.00		NIST
Inp	796.00		NIST
Inp	795.00		NIST
Inp	802.00		NIST
Inp	803.00		NIST
Inp	803.00		NIST
Inp	801.00		NIST
Inp	800.00		NIST
Inp	801.00		NIST
Inp	801.00		NIST
Inp	795.00		NIST
Inp	800.00		NIST
Inp	802.00		NIST
Inp	798.00		NIST
Inp	826.00		NIST
Inp	820.00		NIST
Inp	832.00		NIST
Inp	813.00		NIST
Inp	825.00		NIST
Inp	819.00		NIST
Inp	820.00		NIST
Inp	823.00		NIST
Inp	822.00		NIST
Inp	824.00		NIST
Inp	832.00		NIST
Inp	823.00		NIST
Inp	820.00		NIST
Inp	802.00		NIST
Inp	827.00		NIST
Inp	827.00		NIST
Inp	805.00		NIST
Inp	831.00		NIST
Inp	826.00		NIST
Inp	811.00		NIST
Inp	803.00		NIST
Inp	824.00		NIST
Inp	837.00		NIST
Inp	831.00		NIST
Inp	799.00		NIST
Inp	795.00		NIST
Inp	798.00		NIST
Inp	798.00		NIST
Inp	827.00		NIST
Inp	839.00		NIST
Inp	837.00		NIST
Inp	833.00		NIST
Inp	798.00		NIST
Inp	805.00		NIST
Inp	802.80		NIST
Inp	807.00		NIST
Inp	812.00		NIST
Inp	849.00		NIST
Inp	800.00		NIST
Inp	845.00		NIST
Inp	836.00		NIST
Inp	844.00		NIST
Ip	[1235.00; 1312.00]
Ip	1268.00		NIST
Ip	1257.00		NIST
Ip	Outlier 1309.00		NIST
Ip	Outlier 1305.00		NIST
Ip	1263.00		NIST
Ip	1274.00		NIST
Ip	1254.00		NIST
Ip	1255.00		NIST
Ip	1264.00		NIST
Ip	1276.00		NIST
Ip	1256.00		NIST
Ip	1251.00		NIST
Ip	1252.00		NIST
Ip	1252.00		NIST
Ip	1248.00		NIST
Ip	1266.00		NIST
Ip	1281.00		NIST
Ip	1266.00		NIST
Ip	1261.00		NIST
Ip	1283.00		NIST
Ip	1266.00		NIST
Ip	1283.00		NIST
Ip	1267.00		NIST
Ip	1266.00		NIST
Ip	1266.00		NIST
Ip	1297.00		NIST
Ip	Outlier 1312.00		NIST
Ip	1271.00		NIST
Ip	1270.00		NIST
Ip	1271.00		NIST
Ip	1271.00		NIST
Ip	1282.00		NIST
Ip	1261.00		NIST
Ip	1275.00		NIST
Ip	1276.00		NIST
Ip	1249.00		NIST
Ip	1271.00		NIST
Ip	1265.00		NIST
Ip	1272.00		NIST
Ip	1271.00		NIST
Ip	1272.00		NIST
Ip	1267.00		NIST
Ip	1264.00		NIST
Ip	1295.00		NIST
Ip	1295.00		NIST
Ip	1262.00		NIST
Ip	1256.00		NIST
Ip	1259.00		NIST
Ip	1283.00		NIST
Ip	1287.00		NIST
Ip	1264.00		NIST
Ip	1285.00		NIST
Ip	1257.00		NIST
Ip	1288.00		NIST
Ip	1286.00		NIST
Ip	1254.00		NIST
Ip	1297.00		NIST
Ip	1265.00		NIST
Ip	1252.00		NIST
Ip	1275.00		NIST
Ip	1285.00		NIST
Ip	1276.00		NIST
Ip	1276.00		NIST
Ip	1247.00		NIST
Ip	1271.00		NIST
Ip	1276.00		NIST
Ip	1276.00		NIST
Ip	1276.00		NIST
Ip	1252.00		NIST
Ip	1264.00		NIST
Ip	1264.00		NIST
Ip	1283.00		NIST
Ip	1287.00		NIST
Ip	1288.00		NIST
Ip	1288.00		NIST
Ip	1288.00		NIST
Ip	1252.00		NIST
Ip	1276.00		NIST
Ip	1264.00		NIST
Ip	1262.00		NIST
Ip	1272.00		NIST
Ip	1262.00		NIST
Ip	1275.00		NIST
Ip	1269.00		NIST
Ip	1238.00		NIST
Ip	1258.00		NIST
Ip	1238.00		NIST
Ip	1262.00		NIST
Ip	1268.00		NIST
Ip	1250.00		NIST
Ip	1258.00		NIST
Ip	1241.00		NIST
Ip	1238.00		NIST
Ip	Outlier 1309.00		NIST
Ip	1235.00		NIST
Ip	1235.00		NIST
Ip	1266.00		NIST
Ip	1266.00		NIST
Ip	1235.00		NIST
Ip	1254.00		NIST
Ip	1254.00		NIST
Ip	1255.00		NIST
Ip	1250.00		NIST
Ip	1271.00		NIST
Ip	1288.00		NIST
Ip	1279.00		NIST
Ip	1280.00		NIST
Ip	1267.00		NIST
Ip	1274.00		NIST
Ip	1243.00		NIST
Ip	1278.00		NIST
Ip	1251.00		NIST
Ip	1277.00		NIST
Ip	1260.00		NIST
Ip	1260.00		NIST
Ip	1251.00		NIST
Ip	1259.00		NIST
Ip	1235.00		NIST
Ip	1235.00		NIST
Tboil	[405.15; 409.15]	K
Tboil	405.15 ± 1.50	K	NIST
Tboil	408.85 ± 0.30	K	NIST
Tboil	409.15 ± 1.50	K	NIST
Tc	[634.00; 634.40]	K
Tc	634.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Tc	634.40	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	[243.65; 244.35]	K
Tfus	243.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	244.35 ± 0.20	K	NIST
Vc	[0.285; 0.319]	m3/kmol
Vc	0.285	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Vc	0.319	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Zc	0.2710000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	42.40	kJ/mol	340.00	NIST
Pvap	[0.11; 24.08]	kPa	[263.72; 362.95]
Pvap	0.11	kPa	263.72	Isothermal vapor- liquid equilibria and excess molar enthalpy of 2-methylpyrazine (2MP) containing binary mixtures. Comparison with DISQUAC predictions
Pvap	0.23	kPa	273.47	Isothermal vapor- liquid equilibria and excess molar enthalpy of 2-methylpyrazine (2MP) containing binary mixtures. Comparison with DISQUAC predictions
Pvap	0.46	kPa	283.27	Isothermal vapor- liquid equilibria and excess molar enthalpy of 2-methylpyrazine (2MP) containing binary mixtures. Comparison with DISQUAC predictions
Pvap	0.87	kPa	293.24	Isothermal vapor- liquid equilibria and excess molar enthalpy of 2-methylpyrazine (2MP) containing binary mixtures. Comparison with DISQUAC predictions
Pvap	1.56	kPa	303.18	Isothermal vapor- liquid equilibria and excess molar enthalpy of 2-methylpyrazine (2MP) containing binary mixtures. Comparison with DISQUAC predictions
Pvap	2.70	kPa	313.12	Isothermal vapor- liquid equilibria and excess molar enthalpy of 2-methylpyrazine (2MP) containing binary mixtures. Comparison with DISQUAC predictions
Pvap	4.48	kPa	323.13	Isothermal vapor- liquid equilibria and excess molar enthalpy of 2-methylpyrazine (2MP) containing binary mixtures. Comparison with DISQUAC predictions
Pvap	7.15	kPa	333.11	Isothermal vapor- liquid equilibria and excess molar enthalpy of 2-methylpyrazine (2MP) containing binary mixtures. Comparison with DISQUAC predictions
Pvap	11.03	kPa	343.05	Isothermal vapor- liquid equilibria and excess molar enthalpy of 2-methylpyrazine (2MP) containing binary mixtures. Comparison with DISQUAC predictions
Pvap	16.61	kPa	353.03	Isothermal vapor- liquid equilibria and excess molar enthalpy of 2-methylpyrazine (2MP) containing binary mixtures. Comparison with DISQUAC predictions
Pvap	24.08	kPa	362.95	Isothermal vapor- liquid equilibria and excess molar enthalpy of 2-methylpyrazine (2MP) containing binary mixtures. Comparison with DISQUAC predictions
n0	1.50500		293.15	Activity coefficients in binary mixtures formed by cyclohexanone with a variety of compounds at 94.7 kPa

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Pyrazine, methyl-.

Mixtures

• Pyrazine, methyl- + Cyclohexanone
• Toluene + Pyrazine, methyl-
• Pyrazine, methyl- + Cyclohexane
• Pyrazine, methyl- + Heptane
• Carbon dioxide + Pyrazine, methyl-

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 ChEDL chemicals 1.5.2, from Marsh, K. N.; Young, C. L.; Morton, D. W.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 9. Organic Compounds Containing Nitrogen. J. Chem. Eng. Data 2006, 51, 305-314.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Activity coefficients in binary mixtures formed by cyclohexanone with a variety of compounds at 94.7 kPa
• Isothermal vapor- liquid equilibria and excess molar enthalpy of 2-methylpyrazine (2MP) containing binary mixtures. Comparison with DISQUAC predictions
• Solubility of Pyrazine and Its Derivatives in Supercritical Carbon Dioxide
• KDB
• McGowan Method
• NIST Webbook

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