- InChI
- InChI=1S/C23H18N2/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-25-23(17-21)20-14-8-3-9-15-20/h1-16H,17H2
- InChI Key
- NCJIYZKOKVSKDJ-UHFFFAOYSA-N
- Formula
- C23H18N2
- SMILES
-
C1=C(c2ccccc2)CC(c2ccccc2)=NN=
C1c1ccccc1 - Molecular Weight1
- 322.40
- CAS
- 25649-70-1
- Other Names
-
- 3,5,7-Triphenyl-4H-1,2-diazepine
- 3,5,7-Triphenyl-1,2-diazepin
- 3,5,7-Triphenyl-1,2-diazepine
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.5639 | Relay (... Calculated Property | |
| ΔfG° | 794.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 665.92 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.47 | kJ/mol | Relay (... Calculated Property |
| IE | 7.74 | eV | Relay (... Calculated Property |
| log10WS | -5.77 | Relay (... Calculated Property | |
| logPoct/wat | 5.367 | Crippen Calculated Property | |
| McVol | 259.850 | ml/mol | McGowan Calculated Property |
| Pc | 2256.81 | kPa | Joback Calculated Property |
| Tboil | 711.18 | K | Relay (... Calculated Property |
| Tc | 1048.53 | K | Relay (... Calculated Property |
| Tfus | 394.40 | K | Relay (... Calculated Property |
| Vc | 0.924 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [823.81; 870.52] | J/mol×K | [953.99; 1255.38] | 
|
| Cp,gas | 823.81 | J/mol×K | 953.99 | Joback Calculated Property |
| Cp,gas | 837.88 | J/mol×K | 1004.22 | Joback Calculated Property |
| Cp,gas | 849.27 | J/mol×K | 1054.45 | Joback Calculated Property |
| Cp,gas | 858.10 | J/mol×K | 1104.68 | Joback Calculated Property |
| Cp,gas | 864.51 | J/mol×K | 1154.91 | Joback Calculated Property |
| Cp,gas | 868.60 | J/mol×K | 1205.14 | Joback Calculated Property |
| Cp,gas | 870.52 | J/mol×K | 1255.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4H-1,2-Diazepine, 3,5,7-triphenyl-.
Sources
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