- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
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 | |
| I | [1360.00; 1437.00] |
|
|
| I | 1391.00 | NIST | |
| I | 1396.00 | NIST | |
| I | 1381.00 | NIST | |
| I | 1391.00 | NIST | |
| I | 1413.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1401.00 | NIST | |
| I | 1406.00 | NIST | |
| I | 1408.00 | NIST | |
| I | 1389.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1377.00 | NIST | |
| I | 1405.00 | NIST | |
| I | 1421.00 | NIST | |
| I | 1412.00 | NIST | |
| I | 1403.00 | NIST | |
| I | 1403.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1402.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1411.00 | NIST | |
| I | Outlier 1360.00 | NIST | |
| I | 1404.00 | NIST | |
| I | 1405.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1412.00 | NIST | |
| I | 1412.00 | NIST | |
| I | 1401.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1406.00 | NIST | |
| I | 1402.00 | NIST | |
| I | 1403.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1399.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1423.00 | NIST | |
| I | 1403.00 | NIST | |
| I | 1422.00 | NIST | |
| I | 1429.00 | NIST | |
| I | 1425.00 | NIST | |
| I | Outlier 1436.00 | NIST | |
| I | Outlier 1437.00 | NIST | |
| I | 1389.00 | NIST | |
| I | 1402.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1418.00 | NIST | |
| I | 1404.00 | NIST | |
| I | 1405.00 | NIST | |
| I | 1412.00 | NIST | |
| I | 1411.00 | NIST | |
| I | 1387.00 | NIST | |
| I | 1395.00 | NIST | |
| I | Outlier 1433.00 | NIST | |
| I | Outlier 1433.00 | NIST | |
| I | 1416.00 | NIST | |
| I | 1404.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1404.00 | NIST | |
| I | 1414.00 | NIST | |
| I | Outlier 1371.00 | NIST | |
| I | 1403.00 | NIST | |
| I | 1396.00 | NIST | |
| I | Outlier 1370.00 | NIST | |
| I | 1382.00 | NIST | |
| I | 1381.00 | NIST | |
| I | 1388.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1404.00 | NIST | |
| I | Outlier 1366.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1392.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1401.00 | NIST | |
| I | 1411.00 | NIST | |
| I | 1387.00 | NIST | |
| I | 1387.00 | NIST | |
| I | 1407.00 | NIST | |
| I | 1383.00 | NIST | |
| I | 1409.00 | NIST | |
| I | 1414.00 | NIST | |
| I | 1378.00 | NIST | |
| I | 1418.00 | NIST | |
| I | 1407.00 | NIST | |
| I | 1417.00 | NIST | |
| I | 1401.00 | NIST | |
| I | 1418.00 | NIST | |
| I | 1387.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1387.00 | NIST | |
| I | 1406.00 | NIST | |
| I | 1415.00 | NIST | |
| I | 1395.00 | NIST | |
| I | Outlier 1365.00 | NIST | |
| I | Outlier 1366.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1401.00 | NIST | |
| I | 1406.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1411.00 | NIST | |
| I | 1409.00 | NIST | |
| I | 1417.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 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
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.
These property values are available through the Cheméo API. A free account gives you an access key.