Chemical Properties of Pyrazine, 2,6-dimethyl- (CAS 108-50-9)

InChI

InChI=1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3

InChI Key

HJFZAYHYIWGLNL-UHFFFAOYSA-N

Formula

C6H8N2

SMILES

Cc1cncc(C)n1

Molecular Weight¹

108.14

CAS

108-50-9

Other Names

• 2,6-Dimethylpyrazine
• 3,5-Dimethylpyrazine

• ω : Acentric Factor.
• 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_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3592		Relay (1.0) Calculated Property
ΔfH°gas	112.73	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	50.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	NIST
log10WS	0.57		Relay (1.0) Calculated Property
logPoct/wat	1.093		Crippen Calculated Property
McVol	91.600	ml/mol	McGowan Calculated Property
Pc	4821.37	kPa	Relay (1.0-beta) Calculated Property
Inp	[880.00; 936.00]
Inp	930.00		NIST
Inp	926.00		NIST
Inp	930.00		NIST
Inp	926.00		NIST
Inp	882.00		NIST
Inp	885.00		NIST
Inp	916.00		NIST
Inp	915.00		NIST
Inp	889.00		NIST
Inp	916.00		NIST
Inp	916.00		NIST
Inp	912.00		NIST
Inp	906.00		NIST
Inp	880.00		NIST
Inp	925.00		NIST
Inp	926.00		NIST
Inp	927.00		NIST
Inp	922.00		NIST
Inp	932.00		NIST
Inp	880.00		NIST
Inp	910.00		NIST
Inp	917.00		NIST
Inp	925.00		NIST
Inp	925.00		NIST
Inp	930.00		NIST
Inp	922.00		NIST
Inp	926.00		NIST
Inp	889.70		NIST
Inp	892.10		NIST
Inp	888.90		NIST
Inp	891.20		NIST
Inp	887.90		NIST
Inp	890.70		NIST
Inp	884.00		NIST
Inp	888.00		NIST
Inp	894.00		NIST
Inp	901.00		NIST
Inp	901.00		NIST
Inp	891.00		NIST
Inp	923.00		NIST
Inp	933.00		NIST
Inp	924.00		NIST
Inp	930.00		NIST
Inp	919.00		NIST
Inp	927.00		NIST
Inp	932.00		NIST
Inp	926.00		NIST
Inp	933.00		NIST
Inp	909.00		NIST
Inp	894.00		NIST
Inp	894.00		NIST
Inp	919.00		NIST
Inp	931.00		NIST
Inp	882.00		NIST
Inp	911.00		NIST
Inp	936.00		NIST
Inp	885.00		NIST
Inp	915.00		NIST
Inp	913.00		NIST
Inp	920.00		NIST
Inp	934.00		NIST
Inp	911.40		NIST
Inp	915.00		NIST
Inp	920.00		NIST
Inp	910.00		NIST
Inp	882.00		NIST
Inp	928.00		NIST
Inp	898.00		NIST
Inp	914.00		NIST
Inp	910.00		NIST
Inp	880.00		NIST
Inp	912.00		NIST
Inp	913.00		NIST
Inp	890.00		NIST
Inp	916.00		NIST
Inp	886.00		NIST
Inp	882.00		NIST
Inp	883.00		NIST
Inp	884.00		NIST
Inp	885.00		NIST
Inp	889.00		NIST
Inp	889.00		NIST
Inp	888.00		NIST
Inp	889.00		NIST
Inp	884.00		NIST
Inp	886.00		NIST
Inp	887.00		NIST
Inp	912.00		NIST
Inp	886.00		NIST
Inp	909.00		NIST
Inp	920.00		NIST
Inp	912.00		NIST
Inp	904.00		NIST
Inp	883.00		NIST
Inp	915.00		NIST
Inp	915.00		NIST
Inp	895.00		NIST
Inp	913.00		NIST
Inp	925.00		NIST
Inp	886.00		NIST
Inp	889.00		NIST
Inp	919.00		NIST
Inp	885.00		NIST
Inp	911.40		NIST
Inp	928.00		NIST
Inp	912.00		NIST
Inp	882.00		NIST
Inp	889.00		NIST
Inp	887.00		NIST
Inp	923.00		NIST
Inp	927.00		NIST
Inp	894.00		NIST
Ip	[1280.00; 1370.00]
Ip	1327.00		NIST
Ip	1314.00		NIST
Ip	1319.00		NIST
Ip	1338.00		NIST
Ip	1325.00		NIST
Ip	1314.00		NIST
Ip	1328.00		NIST
Ip	1331.00		NIST
Ip	1339.00		NIST
Ip	1314.00		NIST
Ip	1304.00		NIST
Ip	Outlier 1370.00		NIST
Ip	1347.00		NIST
Ip	1304.00		NIST
Ip	1328.00		NIST
Ip	1328.00		NIST
Ip	1311.00		NIST
Ip	1306.00		NIST
Ip	1328.00		NIST
Ip	1343.00		NIST
Ip	1329.00		NIST
Ip	1328.00		NIST
Ip	1327.00		NIST
Ip	1334.00		NIST
Ip	1334.00		NIST
Ip	1326.00		NIST
Ip	Outlier 1280.00		NIST
Ip	1328.00		NIST
Ip	1333.00		NIST
Ip	1317.00		NIST
Ip	1332.00		NIST
Ip	1346.00		NIST
Ip	1334.00		NIST
Ip	1336.00		NIST
Ip	1325.00		NIST
Ip	1328.00		NIST
Ip	1363.00		NIST
Ip	1363.00		NIST
Ip	1323.00		NIST
Ip	1320.00		NIST
Ip	1322.00		NIST
Ip	1325.00		NIST
Ip	1325.00		NIST
Ip	1344.00		NIST
Ip	1349.00		NIST
Ip	1325.00		NIST
Ip	1339.00		NIST
Ip	1354.00		NIST
Ip	1338.00		NIST
Ip	1348.00		NIST
Ip	1342.00		NIST
Ip	1352.00		NIST
Ip	1360.00		NIST
Ip	1315.00		NIST
Ip	1362.00		NIST
Ip	1330.00		NIST
Ip	1333.00		NIST
Ip	1339.00		NIST
Ip	1330.00		NIST
Ip	1308.00		NIST
Ip	1333.00		NIST
Ip	1314.00		NIST
Ip	1338.00		NIST
Ip	1339.00		NIST
Ip	1327.00		NIST
Ip	1327.00		NIST
Ip	1344.00		NIST
Ip	1349.00		NIST
Ip	1324.00		NIST
Ip	1308.00		NIST
Ip	1353.00		NIST
Ip	1341.00		NIST
Ip	1353.00		NIST
Ip	1353.00		NIST
Ip	1326.00		NIST
Ip	1308.00		NIST
Ip	1347.00		NIST
Ip	1345.00		NIST
Ip	1326.00		NIST
Ip	1341.00		NIST
Ip	1345.00		NIST
Ip	1317.00		NIST
Ip	1329.00		NIST
Ip	1299.00		NIST
Ip	1326.00		NIST
Ip	1322.00		NIST
Ip	1300.00		NIST
Ip	1313.00		NIST
Ip	1303.00		NIST
Ip	1300.00		NIST
Ip	1300.00		NIST
Ip	1304.00		NIST
Ip	1305.00		NIST
Ip	1326.00		NIST
Ip	1331.00		NIST
Ip	1300.00		NIST
Ip	1330.00		NIST
Ip	1319.00		NIST
Ip	1325.00		NIST
Ip	1326.00		NIST
Ip	1308.00		NIST
Ip	1334.00		NIST
Ip	1353.00		NIST
Ip	1335.00		NIST
Ip	1340.00		NIST
Ip	1298.00		NIST
Ip	1334.00		NIST
Ip	1340.00		NIST
Ip	1326.00		NIST
Ip	1325.00		NIST
Ip	1308.00		NIST
Ip	1355.00		NIST
Ip	1325.00		NIST
Ip	1325.00		NIST
Ip	1325.00		NIST
Ip	1300.00		NIST
Ip	1327.00		NIST
Ip	1328.00		NIST
Ip	Outlier 1370.00		NIST
Ip	1311.00		NIST
Ip	Outlier 1280.00		NIST
Ip	1346.00		NIST
Tboil	[427.20; 428.80]	K
Tboil	427.20	K	NIST
Tboil	428.80	K	NIST
Tc	664.22	K	Relay (1.0) Calculated Property
Tfus	317.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Similar Compounds

Find more compounds similar to Pyrazine, 2,6-dimethyl-.

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).
• 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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