- InChI
- InChI=1S/C18H14N2O/c21-18(15-8-7-13-19-14-15)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
- InChI Key
- FYFWGHVSOVRQBY-UHFFFAOYSA-N
- Formula
- C18H14N2O
- SMILES
-
O=C(c1cccnc1)N(c1ccccc1)c1cccc
c1 - Molecular Weight1
- 274.32
- 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 | 0.6645 | Relay (1.0) Calculated Property | |
| ΔfG° | 382.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 209.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.060 | Crippen Calculated Property | |
| McVol | 214.730 | ml/mol | McGowan Calculated Property |
| Pc | 3486.43 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2570.00 | NIST | |
| Tboil | 668.72 | K | Relay (1.0) Calculated Property |
| Tc | 1033.44 | K | Relay (1.0) Calculated Property |
| Tfus | 412.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.777 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to diphenyl-nicotinamide.
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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