- InChI
- InChI=1S/C9H14N2O/c1-4-12-9-8(7(2)3)10-5-6-11-9/h5-7H,4H2,1-3H3
- InChI Key
- LTAUBPVQMBOANV-UHFFFAOYSA-N
- Formula
- C9H14N2O
- SMILES
- CCOc1nccnc1C(C)C
- Molecular Weight1
- 166.22
- CAS
- 72797-16-1
- Other Names
-
- 3-isopropyl-2-ethoxypyrazine
- 2-Ethoxy-3-isopropylpyrazine
- Pyrazine, 2-ethoxy-3-(1-methylethyl)-
- 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 | 0.4841 | Relay (... Calculated Property | |
| ΔfG° | 105.44 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -118.61 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 61.83 | kJ/mol | Relay (... Calculated Property |
| IE | 8.57 | eV | Relay (... Calculated Property |
| log10WS | -1.42 | Relay (... Calculated Property | |
| logPoct/wat | 1.999 | Crippen Calculated Property | |
| McVol | 139.740 | ml/mol | McGowan Calculated Property |
| Pc | 2746.71 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1143.00; 1165.00] |
|
|
| Inp | 1143.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1143.00 | NIST | |
| I | 1431.00 | NIST | |
| Tboil | 476.63 | K | Relay (... Calculated Property |
| Tc | 705.62 | K | Relay (... Calculated Property |
| Tfus | 254.36 | K | Relay (... Calculated Property |
| Vc | 0.522 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-isopropyl-3-ethoxypyrazine.
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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