- InChI
- InChI=1S/C12H8N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11/h1-8H
- InChI Key
- KMQFYNLYTMIJPI-UHFFFAOYSA-N
- Formula
- C12H8N2O
- SMILES
- N#Cc1cccnc1Oc1ccccc1
- Molecular Weight1
- 196.20
- CAS
- 14178-15-5
- Other Names
-
- 3-Pyridinecarbonitrile, 2-phenoxy-
- 2-phenoxynicotinonitrile
- 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 | 0.5323 | Relay (1.0) Calculated Property | |
| ΔfG° | 299.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 205.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 73.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.746 | Crippen Calculated Property | |
| McVol | 149.650 | ml/mol | McGowan Calculated Property |
| Pc | 3988.57 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 590.96 | K | Relay (1.0) Calculated Property |
| Tc | 888.15 | K | Relay (1.0) Calculated Property |
| Tfus | 350.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxypyridine-3-carbonitrile.
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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