- InChI
- InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
- InChI Key
- IAEGWXHKWJGQAZ-UHFFFAOYSA-N
- Formula
- C7H10N2
- SMILES
- Cc1cnc(C)c(C)n1
- Molecular Weight1
- 122.17
- CAS
- 14667-55-1
- Other Names
-
- Trimethylpyrazine
- 2,3,5-Trimethylpyrazine
- 2,3,6-Trimethylpyrazine
- Pyrazine, 2,3,5-trimethyl
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -4204.10 ± 2.00 | kJ/mol | NIST |
| ΔfH°gas | 74.30 ± 2.70 | kJ/mol | NIST |
| ΔfH°liquid | 20.40 ± 2.20 | kJ/mol | NIST |
| ΔvapH° | [53.90; 53.90] | kJ/mol |
|
| ΔvapH° | 53.90 ± 1.60 | kJ/mol | NIST |
| ΔvapH° | 53.90 | kJ/mol | NIST |
| ΔvapH° | 53.90 ± 1.60 | kJ/mol | NIST |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.402 | Crippen Calculated Property | |
| McVol | 105.690 | ml/mol | McGowan Calculated Property |
| Inp | [966.00; 1023.00] |
|
|
| Inp | 1016.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 998.97 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | Outlier 966.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 979.30 | NIST | |
| Inp | 983.40 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 983.20 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1007.80 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 975.00 | NIST | |
| Ip | [1360.00; 1437.00] |
|
|
| Ip | 1391.00 | NIST | |
| Ip | 1396.00 | NIST | |
| Ip | 1381.00 | NIST | |
| Ip | 1391.00 | NIST | |
| Ip | 1413.00 | NIST | |
| Ip | 1397.00 | NIST | |
| Ip | 1401.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1408.00 | NIST | |
| Ip | 1389.00 | NIST | |
| Ip | 1400.00 | NIST | |
| Ip | 1377.00 | NIST | |
| Ip | 1405.00 | NIST | |
| Ip | 1421.00 | NIST | |
| Ip | 1412.00 | NIST | |
| Ip | 1403.00 | NIST | |
| Ip | 1403.00 | NIST | |
| Ip | 1394.00 | NIST | |
| Ip | 1410.00 | NIST | |
| Ip | 1402.00 | NIST | |
| Ip | 1410.00 | NIST | |
| Ip | 1398.00 | NIST | |
| Ip | 1411.00 | NIST | |
| Ip | Outlier 1360.00 | NIST | |
| Ip | 1404.00 | NIST | |
| Ip | 1405.00 | NIST | |
| Ip | 1394.00 | NIST | |
| Ip | 1412.00 | NIST | |
| Ip | 1412.00 | NIST | |
| Ip | 1401.00 | NIST | |
| Ip | 1394.00 | NIST | |
| Ip | 1397.00 | NIST | |
| Ip | 1397.00 | NIST | |
| Ip | 1395.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1402.00 | NIST | |
| Ip | 1403.00 | NIST | |
| Ip | 1386.00 | NIST | |
| Ip | 1399.00 | NIST | |
| Ip | 1400.00 | NIST | |
| Ip | 1423.00 | NIST | |
| Ip | 1403.00 | NIST | |
| Ip | 1422.00 | NIST | |
| Ip | 1429.00 | NIST | |
| Ip | 1425.00 | NIST | |
| Ip | Outlier 1436.00 | NIST | |
| Ip | Outlier 1437.00 | NIST | |
| Ip | 1389.00 | NIST | |
| Ip | 1402.00 | NIST | |
| Ip | 1397.00 | NIST | |
| Ip | 1410.00 | NIST | |
| Ip | 1418.00 | NIST | |
| Ip | 1404.00 | NIST | |
| Ip | 1405.00 | NIST | |
| Ip | 1412.00 | NIST | |
| Ip | 1411.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Ip | 1395.00 | NIST | |
| Ip | Outlier 1433.00 | NIST | |
| Ip | Outlier 1433.00 | NIST | |
| Ip | 1416.00 | NIST | |
| Ip | 1404.00 | NIST | |
| Ip | 1410.00 | NIST | |
| Ip | 1404.00 | NIST | |
| Ip | 1414.00 | NIST | |
| Ip | Outlier 1371.00 | NIST | |
| Ip | 1403.00 | NIST | |
| Ip | 1396.00 | NIST | |
| Ip | Outlier 1370.00 | NIST | |
| Ip | 1382.00 | NIST | |
| Ip | 1381.00 | NIST | |
| Ip | 1388.00 | NIST | |
| Ip | 1400.00 | NIST | |
| Ip | 1404.00 | NIST | |
| Ip | Outlier 1366.00 | NIST | |
| Ip | 1400.00 | NIST | |
| Ip | 1392.00 | NIST | |
| Ip | 1400.00 | NIST | |
| Ip | 1401.00 | NIST | |
| Ip | 1411.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Ip | 1407.00 | NIST | |
| Ip | 1383.00 | NIST | |
| Ip | 1409.00 | NIST | |
| Ip | 1414.00 | NIST | |
| Ip | 1378.00 | NIST | |
| Ip | 1418.00 | NIST | |
| Ip | 1407.00 | NIST | |
| Ip | 1417.00 | NIST | |
| Ip | 1401.00 | NIST | |
| Ip | 1418.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Ip | 1397.00 | NIST | |
| Ip | 1397.00 | NIST | |
| Ip | 1400.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1415.00 | NIST | |
| Ip | 1395.00 | NIST | |
| Ip | Outlier 1365.00 | NIST | |
| Ip | Outlier 1366.00 | NIST | |
| Ip | 1397.00 | NIST | |
| Ip | 1401.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1400.00 | NIST | |
| Ip | 1411.00 | NIST | |
| Ip | 1409.00 | NIST | |
| Ip | 1417.00 | NIST | |
| Ip | 1397.00 | NIST | |
| Ip | 1396.00 | NIST | |
| Tboil | 444.70 | K | NIST |
| Tfus | 279.81 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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, trimethyl-.
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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