- InChI
- InChI=1S/C17H12F2N2O/c18-17(19,13-7-3-1-4-8-13)15-16(21-12-11-20-15)22-14-9-5-2-6-10-14/h1-12H
- InChI Key
- FTWUKTBCOJEGPG-UHFFFAOYSA-N
- Formula
- C17H12F2N2O
- SMILES
-
FC(F)(c1ccccc1)c1nccnc1Oc1cccc
c1 - Molecular Weight1
- 298.29
- CAS
- 116403-01-1
- 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 | 0.5642 | Relay (1.0) Calculated Property | |
| ΔfG° | -21.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -192.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.409 | Crippen Calculated Property | |
| McVol | 208.480 | ml/mol | McGowan Calculated Property |
| Pc | 2523.35 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 631.94 | K | Relay (1.0) Calculated Property |
| Tc | 945.10 | K | Relay (1.0) Calculated Property |
| Tfus | 349.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.768 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxy-3-(alpha,alpha-difluorobenzyl) 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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