- InChI
- InChI=1S/C11H18N2/c1-4-5-6-7-11-10(3)12-8-9(2)13-11/h8H,4-7H2,1-3H3
- InChI Key
- VJNUCPVMBFFSSP-UHFFFAOYSA-N
- Formula
- C11H18N2
- SMILES
- CCCCCc1nc(C)cnc1C
- Molecular Weight1
- 178.27
- CAS
- 56617-69-7
- Other Names
-
- 2,5-dimethyl-3-pentylpyrazine
- 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 | 0.5459 | Relay (1.0) Calculated Property | |
| ΔfG° | 204.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -3.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 65.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.826 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2457.00 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1291.00; 1357.00] |
|
|
| Inp | 1291.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1291.00 | NIST | |
| I | 1680.00 | NIST | |
| Tboil | 511.14 | K | Relay (1.0) Calculated Property |
| Tc | 723.51 | K | Relay (1.0) Calculated Property |
| Tfus | 267.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.615 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dimethyl-3-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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