- InChI
- InChI=1S/C21H15NO2/c23-20(16-10-4-1-5-11-16)19(22-18-14-8-3-9-15-18)21(24)17-12-6-2-7-13-17/h1-15H
- InChI Key
- NMYSMCUGIBQIHP-UHFFFAOYSA-N
- Formula
- C21H15NO2
- SMILES
-
O=C(C(=Nc1ccccc1)C(=O)c1ccccc1
)c1ccccc1 - Molecular Weight1
- 313.35
- CAS
- 24416-28-2
- Other Names
-
- 1,3-Diphenyl-2-phenylimino-propan-1,3-dione
- 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 | 0.7158 | Relay (1.0) Calculated Property | |
| ΔfG° | 225.39 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 176.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 ± 0.05 | eV | NIST |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.525 | Crippen Calculated Property | |
| McVol | 244.290 | ml/mol | McGowan Calculated Property |
| Pc | 2038.23 | kPa | Joback Calculated Property |
| Tboil | 683.72 | K | Relay (1.0) Calculated Property |
| Tc | 1026.45 | K | Relay (1.0) Calculated Property |
| Tfus | 378.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.880 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Propane-1,3-dione, 1,3-diphenyl-2-(phenylimino)-.
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
- Joback Method
- McGowan Method
- NIST Webbook
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