- InChI
- InChI=1S/C9H14N2/c1-2-3-4-5-9-8-10-6-7-11-9/h6-8H,2-5H2,1H3
- InChI Key
- KNDDHUQSPNJCKY-UHFFFAOYSA-N
- Formula
- C9H14N2
- SMILES
- CCCCCc1cnccn1
- Molecular Weight1
- 150.22
- CAS
- 6303-75-9
- Other Names
-
- n-Amylpyrazine
- Pyrazine, pentyl-
- 2-Pentylpyrazine
- Pentyl pyrazine
- 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 | 0.4879 | Relay (1.0) Calculated Property | |
| ΔfG° | 226.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 73.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 60.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.209 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 2971.48 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1192.00; 1234.00] |
|
|
| Inp | 1234.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1234.00 | NIST | |
| I | 1575.00 | NIST | |
| Tboil | 489.26 | K | Relay (1.0) Calculated Property |
| Tc | 712.59 | K | Relay (1.0) Calculated Property |
| Tfus | 236.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.511 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to n-Pentylpyrazine.
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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