- InChI
- InChI=1S/C11H18N2O/c1-3-5-6-7-10-11(14-4-2)13-9-8-12-10/h8-9H,3-7H2,1-2H3
- InChI Key
- ZTFRROZFJBQMHI-UHFFFAOYSA-N
- Formula
- C11H18N2O
- SMILES
- CCCCCc1nccnc1OCC
- Molecular Weight1
- 194.27
- Other Names
-
- Pyrazine, 2-ethoxy-3-pentyl
- 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 | 0.6084 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -147.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 66.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.608 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Pc | 2368.84 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1376.00; 1376.00] |
|
|
| Inp | 1376.00 | NIST | |
| Inp | 1376.00 | NIST | |
| I | [1691.00; 1691.00] |
|
|
| I | 1691.00 | NIST | |
| I | 1691.00 | NIST | |
| Tboil | 516.06 | K | Relay (1.0) Calculated Property |
| Tc | 742.29 | K | Relay (1.0) Calculated Property |
| Tfus | 252.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.639 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 3-ethoxy-2-pentyl.
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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