- InChI
- InChI=1S/C12H9FN2O/c13-10-1-3-11(4-2-10)15-12(16)9-5-7-14-8-6-9/h1-8H,(H,15,16)
- InChI Key
- WSJKQVNKRSGJES-UHFFFAOYSA-N
- Formula
- C12H9FN2O
- SMILES
- O=C(Nc1ccc(F)cc1)c1ccncc1
- Molecular Weight1
- 216.21
- 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.
- 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 | 0.5956 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.80 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -140.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.473 | Crippen Calculated Property | |
| McVol | 155.720 | ml/mol | McGowan Calculated Property |
| Pc | 4439.07 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1942.00; 1942.00] |
|
|
| Inp | 1942.00 | NIST | |
| Inp | 1942.00 | NIST | |
| Tboil | 609.45 | K | Relay (1.0) Calculated Property |
| Tc | 914.19 | K | Relay (1.0) Calculated Property |
| Tfus | 461.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isonicotinamide, N-(4-fluorophenyl)-.
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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