Chemical Properties of Pyrazine, 2-ethyl-5-methyl-

InChI

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

InChI Key

OXCKCFJIKRGXMM-UHFFFAOYSA-N

Formula

C7H10N2

SMILES

CCc1cnc(C)cn1

Molecular Weight¹

122.17

Other Names

• 2-Ethyl-5-methylpyrazine
• 2-Methyl-5-ethylpyrazine
• 2,5-Methylethylpyrazine
• 5-Ethyl-2-methylpyrazine
• Pyrazine, 5-ethyl-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).
• 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	0.3977		Relay (1.0) Calculated Property
ΔfH°gas	87.10	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	53.75	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.347		Crippen Calculated Property
McVol	105.690	ml/mol	McGowan Calculated Property
Pc	3792.27	kPa	Relay (1.0-beta) Calculated Property
Inp	[961.00; 1025.00]
Inp	978.00		NIST
Inp	979.00		NIST
Inp	1002.00		NIST
Inp	995.00		NIST
Inp	1000.00		NIST
Inp	1000.00		NIST
Inp	997.00		NIST
Inp	1021.00		NIST
Inp	1006.00		NIST
Inp	1015.00		NIST
Inp	1019.00		NIST
Inp	973.00		NIST
Inp	976.00		NIST
Inp	1012.00		NIST
Inp	Outlier 1025.00		NIST
Inp	997.00		NIST
Inp	1008.00		NIST
Inp	988.00		NIST
Inp	1008.00		NIST
Inp	1011.00		NIST
Inp	1007.00		NIST
Inp	972.00		NIST
Inp	973.00		NIST
Inp	973.00		NIST
Inp	973.00		NIST
Inp	976.00		NIST
Inp	964.00		NIST
Inp	973.00		NIST
Inp	974.00		NIST
Inp	971.00		NIST
Inp	976.00		NIST
Inp	975.00		NIST
Inp	975.00		NIST
Inp	985.00		NIST
Inp	1009.00		NIST
Inp	1014.00		NIST
Inp	1014.00		NIST
Inp	1008.00		NIST
Inp	1012.00		NIST
Inp	1010.00		NIST
Inp	1015.00		NIST
Inp	1012.00		NIST
Inp	997.00		NIST
Inp	978.00		NIST
Inp	978.00		NIST
Inp	1004.00		NIST
Inp	974.00		NIST
Inp	1001.00		NIST
Inp	1022.00		NIST
Inp	981.00		NIST
Inp	1006.00		NIST
Inp	995.00		NIST
Inp	1000.00		NIST
Inp	1000.00		NIST
Inp	981.00		NIST
Inp	975.00		NIST
Inp	983.00		NIST
Inp	970.00		NIST
Inp	985.00		NIST
Inp	980.00		NIST
Inp	961.00		NIST
Inp	990.00		NIST
Inp	980.00		NIST
Inp	973.00		NIST
Inp	974.00		NIST
Inp	974.00		NIST
Inp	975.00		NIST
Inp	980.00		NIST
Inp	980.00		NIST
Inp	971.00		NIST
Inp	980.00		NIST
Inp	972.00		NIST
Inp	994.00		NIST
Inp	1001.00		NIST
Inp	1002.00		NIST
Inp	1001.00		NIST
Inp	973.00		NIST
Inp	1014.00		NIST
Inp	997.00		NIST
Inp	998.00		NIST
Inp	999.00		NIST
Inp	980.00		NIST
Inp	978.00		NIST
Inp	985.00		NIST
Inp	1012.00		NIST
Inp	994.00		NIST
Inp	1014.00		NIST
Inp	1004.00		NIST
Inp	1006.00		NIST
Inp	975.00		NIST
Inp	961.00		NIST
Inp	974.00		NIST
Inp	980.00		NIST
Ip	[1341.00; 1432.00]
Ip	1399.00		NIST
Ip	1390.00		NIST
Ip	1392.00		NIST
Ip	1402.00		NIST
Ip	1376.00		NIST
Ip	1363.00		NIST
Ip	1397.00		NIST
Ip	1393.00		NIST
Ip	1397.00		NIST
Ip	1383.00		NIST
Ip	1394.00		NIST
Ip	1393.00		NIST
Ip	1394.00		NIST
Ip	1406.00		NIST
Ip	1399.00		NIST
Ip	1386.00		NIST
Ip	1376.00		NIST
Ip	1385.00		NIST
Ip	1380.00		NIST
Ip	1406.00		NIST
Ip	1369.00		NIST
Ip	1405.00		NIST
Ip	1415.00		NIST
Ip	1378.00		NIST
Ip	Outlier 1428.00		NIST
Ip	1387.00		NIST
Ip	1405.00		NIST
Ip	1362.00		NIST
Ip	1403.00		NIST
Ip	1392.00		NIST
Ip	1383.00		NIST
Ip	Outlier 1341.00		NIST
Ip	1419.00		NIST
Ip	1380.00		NIST
Ip	1419.00		NIST
Ip	1419.00		NIST
Ip	1385.00		NIST
Ip	1398.00		NIST
Ip	1385.00		NIST
Ip	1371.00		NIST
Ip	1390.00		NIST
Ip	1356.00		NIST
Ip	1364.00		NIST
Ip	1367.00		NIST
Ip	1357.00		NIST
Ip	1375.00		NIST
Ip	1375.00		NIST
Ip	1386.00		NIST
Ip	1386.00		NIST
Ip	1357.00		NIST
Ip	1390.00		NIST
Ip	1377.00		NIST
Ip	1396.00		NIST
Ip	1398.00		NIST
Ip	1411.00		NIST
Ip	Outlier 1432.00		NIST
Ip	1395.00		NIST
Ip	1395.00		NIST
Ip	1358.00		NIST
Ip	1395.00		NIST
Ip	1362.00		NIST
Ip	1385.00		NIST
Ip	1385.00		NIST
Ip	1387.00		NIST
Ip	1357.00		NIST
Ip	1357.00		NIST
Ip	1392.00		NIST
Ip	1393.00		NIST
Ip	1394.00		NIST
Ip	1369.00		NIST
Ip	1387.00		NIST
Ip	1383.00		NIST
Ip	1419.00		NIST
Ip	1390.00		NIST
Ip	1375.00		NIST
Ip	1411.00		NIST
Ip	1395.00		NIST
Ip	1357.00		NIST
Tboil	448.01	K	Relay (1.0) Calculated Property
Tc	666.83	K	Relay (1.0) Calculated Property
Tfus	232.90	K	Relay (1.0) Calculated Property

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

Similar Compounds

Find more compounds similar to Pyrazine, 2-ethyl-5-methyl-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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