- InChI
- InChI=1S/C9H14N2/c1-5-9-8(4)10-6(2)7(3)11-9/h5H2,1-4H3
- InChI Key
- FPOLJKZKOKXIFE-UHFFFAOYSA-N
- Formula
- C9H14N2
- SMILES
- CCc1nc(C)c(C)nc1C
- Molecular Weight1
- 150.22
- CAS
- 17398-16-2
- Other Names
-
- 2-Ethyl-3,5,6-trimethylpyrazine
- 6-Ethyl-2,3,5-trimethylpyrazine
- Pyrazine, ethyltrimethyl
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4504 | Relay (... Calculated Property | |
| ΔfG° | 177.29 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 33.27 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 61.13 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -0.84 | Relay (... Calculated Property | |
| logPoct/wat | 1.964 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 2983.96 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1120.00; 1173.00] |
|
|
| Inp | 1169.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1155.50 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1120.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1139.00 | NIST | |
| I | [1491.00; 1521.00] |
|
|
| I | 1501.00 | NIST | |
| I | 1491.00 | NIST | |
| I | 1491.00 | NIST | |
| I | 1521.00 | NIST | |
| I | 1502.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1512.00 | NIST | |
| Tboil | 471.21 | K | Relay (... Calculated Property |
| Tc | 693.28 | K | Relay (... Calculated Property |
| Tfus | 308.86 | K | Relay (... Calculated Property |
| Vc | 0.509 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5-Trimethyl-6-ethylpyrazine.
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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