- InChI
- InChI=1S/C12H10N2O/c15-12(10-4-2-1-3-5-10)8-11-9-13-6-7-14-11/h1-7,9H,8H2
- InChI Key
- WUYTZBFFXRNJSB-UHFFFAOYSA-N
- Formula
- C12H10N2O
- SMILES
- O=C(Cc1cnccn1)c1ccccc1
- Molecular Weight1
- 198.22
- CAS
- 40061-45-8
- 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).
- 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 | 0.5284 | Relay (1.0) Calculated Property | |
| ΔfG° | 209.90 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 143.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.902 | Crippen Calculated Property | |
| McVol | 153.950 | ml/mol | McGowan Calculated Property |
| Pc | 3557.50 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 587.70 | K | Relay (1.0) Calculated Property |
| Tc | 882.38 | K | Relay (1.0) Calculated Property |
| Tfus | 364.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.571 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenacyl 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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