- InChI
- InChI=1S/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
- InChI Key
- LNIMMWYNSBZESE-UHFFFAOYSA-N
- Formula
- C7H10N2
- SMILES
- CCc1nccnc1C
- Molecular Weight1
- 122.17
- Other Names
-
- 2-Ethyl-3-methylpyrazine
- 2-Methyl-3-ethylpyrazine
- Pyrazine, 3-ethyl-2-methyl
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 93.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 56.01 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.347 | Crippen Calculated Property | |
| McVol | 105.690 | ml/mol | McGowan Calculated Property |
| Inp | [964.00; 1033.00] |
|
|
| Inp | 999.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | Outlier 964.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | Outlier 1033.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 999.00 | NIST | |
| Ip | [1362.00; 1434.00] |
|
|
| Ip | 1400.00 | NIST | |
| Ip | 1414.00 | NIST | |
| Ip | 1414.00 | NIST | |
| Ip | 1390.00 | NIST | |
| Ip | 1373.00 | NIST | |
| Ip | 1403.00 | NIST | |
| Ip | 1403.00 | NIST | |
| Ip | 1402.00 | NIST | |
| Ip | 1407.00 | NIST | |
| Ip | 1407.00 | NIST | |
| Ip | 1407.00 | NIST | |
| Ip | 1411.00 | NIST | |
| Ip | 1410.00 | NIST | |
| Ip | 1397.00 | NIST | |
| Ip | 1399.00 | NIST | |
| Ip | Outlier 1363.00 | NIST | |
| Ip | 1424.00 | NIST | |
| Ip | 1383.00 | NIST | |
| Ip | 1418.00 | NIST | |
| Ip | 1391.00 | NIST | |
| Ip | 1397.00 | NIST | |
| Ip | 1418.00 | NIST | |
| Ip | 1410.00 | NIST | |
| Ip | 1417.00 | NIST | |
| Ip | 1432.00 | NIST | |
| Ip | 1432.00 | NIST | |
| Ip | 1432.00 | NIST | |
| Ip | 1434.00 | NIST | |
| Ip | 1422.00 | NIST | |
| Ip | 1402.00 | NIST | |
| Ip | 1403.00 | NIST | |
| Ip | Outlier 1367.00 | NIST | |
| Ip | 1400.00 | NIST | |
| Ip | 1392.00 | NIST | |
| Ip | 1410.00 | NIST | |
| Ip | 1393.00 | NIST | |
| Ip | 1399.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1408.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1419.00 | NIST | |
| Ip | 1411.00 | NIST | |
| Ip | 1407.00 | NIST | |
| Ip | 1410.00 | NIST | |
| Ip | 1417.00 | NIST | |
| Ip | 1410.00 | NIST | |
| Ip | 1381.00 | NIST | |
| Ip | Outlier 1362.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1417.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Tboil | 446.02 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 330.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to PYRAZINE, 2-ETHYL-3-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
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