- InChI
- InChI=1S/C14H16N2/c1-11-10-15-12(2)14(16-11)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
- InChI Key
- ZQHVNMBZTVKXCX-UHFFFAOYSA-N
- Formula
- C14H16N2
- SMILES
- Cc1cnc(C)c(CCc2ccccc2)n1
- Molecular Weight1
- 212.29
- Other Names
-
- 2-(2'-phenyl-ethyl)-3,6-dimethylpyrazine
- 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 | 0.5430 | Relay (... Calculated Property | |
| ΔfG° | 318.36 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 193.15 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 86.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.61 | eV | Relay (... Calculated Property |
| log10WS | -2.08 | Relay (... Calculated Property | |
| logPoct/wat | 2.879 | Crippen Calculated Property | |
| McVol | 180.560 | ml/mol | McGowan Calculated Property |
| Pc | 2638.87 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1685.00 | NIST | |
| I | 2421.00 | NIST | |
| Tboil | 575.86 | K | Relay (... Calculated Property |
| Tc | 832.05 | K | Relay (... Calculated Property |
| Tfus | 299.88 | K | Relay (... Calculated Property |
| Vc | 0.679 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-dimethyl-3-(phenylethyl)pyrazine.
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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