- InChI
- InChI=1S/C12H8F2N2O/c13-12(14,10-8-15-6-7-16-10)11(17)9-4-2-1-3-5-9/h1-8H
- InChI Key
- HFQPREQQQACYNB-UHFFFAOYSA-N
- Formula
- C12H8F2N2O
- SMILES
- O=C(c1ccccc1)C(F)(F)c1cnccn1
- Molecular Weight1
- 234.20
- CAS
- 116403-02-2
- 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 | 0.4610 | Relay (1.0) Calculated Property | |
| ΔfG° | -161.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -270.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.451 | Crippen Calculated Property | |
| McVol | 157.490 | ml/mol | McGowan Calculated Property |
| Pc | 2584.18 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 561.72 | K | Relay (1.0) Calculated Property |
| Tc | 839.73 | K | Relay (1.0) Calculated Property |
| Tfus | 339.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.579 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Alpha,alpha-difluorophenacyl 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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