- InChI
- InChI=1S/C9H14N2/c1-3-4-8(2)9-7-10-5-6-11-9/h5-8H,3-4H2,1-2H3
- InChI Key
- MRGPJALDSXTAJS-UHFFFAOYSA-N
- Formula
- C9H14N2
- SMILES
- CCCC(C)c1cnccn1
- Molecular Weight1
- 150.22
- Other Names
-
- sec-pentylpyrazine
- Pyrazine, (1-methylbutyl)
- 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 | 0.4241 | Relay (1.0) Calculated Property | |
| ΔfG° | 224.01 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 52.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.380 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3049.49 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1133.00; 1148.00] |
|
|
| Inp | 1148.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1133.00 | NIST | |
| I | 1471.00 | NIST | |
| Tboil | 479.72 | K | Relay (1.0) Calculated Property |
| Tc | 699.64 | K | Relay (1.0) Calculated Property |
| Tfus | 226.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.487 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-methylbutylpyrazine.
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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