- InChI
- InChI=1S/C16H20N2O/c1-4-12(2)10-14-11-17-16(13(3)18-14)19-15-8-6-5-7-9-15/h5-9,11-12H,4,10H2,1-3H3
- InChI Key
- IGXXMXCVLGZCOZ-UHFFFAOYSA-N
- Formula
- C16H20N2O
- SMILES
- CCC(C)Cc1cnc(Oc2ccccc2)c(C)n1
- Molecular Weight1
- 256.34
- Other Names
-
- Pyrazine, 3-methyl-5-(2-methylbutyl)-2-phenoxy
- 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 | 0.6430 | Relay (1.0) Calculated Property | |
| ΔfG° | 212.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -35.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.166 | Crippen Calculated Property | |
| McVol | 214.610 | ml/mol | McGowan Calculated Property |
| Pc | 2431.58 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1807.00 | NIST | |
| I | 2301.00 | NIST | |
| Tboil | 593.36 | K | Relay (1.0) Calculated Property |
| Tc | 854.62 | K | Relay (1.0) Calculated Property |
| Tfus | 315.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.780 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl-5-(2-methylbutyl)-2-phenoxypyrazine.
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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