- InChI
- InChI=1S/C8H12N2/c1-4-8-5-9-6(2)7(3)10-8/h5H,4H2,1-3H3
- InChI Key
- CIBKSMZEVHTQLG-UHFFFAOYSA-N
- Formula
- C8H12N2
- SMILES
- CCc1cnc(C)c(C)n1
- Molecular Weight1
- 136.19
- CAS
- 15707-34-3
- Other Names
-
- 2,3-dimethyl-6-ethylpyrazine
- 2-ethyl-5,6-dimethylpyrazine
- 5,6-Dimethyl-2-ethylpyrazine
- 6-Ethyl-2,3-dimethylpyrazine
- Pyrazine, 6-ethyl-2,3-dimethyl
- 5-Ethyl-2,3-dimethylpyrazine
- 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 | 0.4255 | Relay (... Calculated Property | |
| ΔfG° | 184.03 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 57.28 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 56.67 | kJ/mol | Relay (... Calculated Property |
| IE | 8.72 | eV | Relay (... Calculated Property |
| log10WS | -0.18 | Relay (... Calculated Property | |
| logPoct/wat | 1.656 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3391.97 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1057.00; 1105.00] |
|
|
| Inp | 1097.00 | NIST | |
| Inp | 1096.00 | NIST | |
| Inp | 1096.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Inp | 1079.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1076.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1084.00 | NIST | |
| I | [1421.00; 1493.00] |
|
|
| I | 1460.00 | NIST | |
| I | 1447.00 | NIST | |
| I | 1445.00 | NIST | |
| I | 1445.00 | NIST | |
| I | 1470.00 | NIST | |
| I | 1493.00 | NIST | |
| I | 1421.00 | NIST | |
| Tboil | 460.60 | K | Relay (... Calculated Property |
| Tc | 678.50 | K | Relay (... Calculated Property |
| Tfus | 267.09 | K | Relay (... Calculated Property |
| Vc | 0.456 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dimethyl-5-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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