- InChI
- InChI=1S/C12H12N2/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-5,8-10H,6-7H2
- InChI Key
- LQWPAMNCTNMMDB-UHFFFAOYSA-N
- Formula
- C12H12N2
- SMILES
- c1ccc(CCc2cnccn2)cc1
- Molecular Weight1
- 184.24
- CAS
- 91391-83-2
- Other Names
-
- Pyrazine, phenethyl-
- (2-Phenylethyl)pyrazine
- Phenylethyl-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 | 0.4862 | Relay (1.0) Calculated Property | |
| ΔfG° | 338.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 271.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.262 | Crippen Calculated Property | |
| McVol | 152.380 | ml/mol | McGowan Calculated Property |
| Pc | 3468.95 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1552.00 | NIST | |
| I | [2351.00; 2367.00] |
|
|
| I | 2367.00 | NIST | |
| I | 2351.00 | NIST | |
| Tboil | 559.44 | K | Relay (1.0) Calculated Property |
| Tc | 830.51 | K | Relay (1.0) Calculated Property |
| Tfus | 282.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, (2-phenylethyl)-.
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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