![2,3,10,11-Tetrahydrobenzo[b]dipyrido[3,2,1-de:1,2,3-mn]-phenazine-1,12-dione](/cid/51-500-9/2-3-10-11-Tetrahydrobenzo-b-dipyrido-3-2-1-de-1-2-3-mn-phenazine-1-12-dione.png "2,3,10,11-Tetrahydrobenzo[b]dipyrido[3,2,1-de:1,2,3-mn]-phenazine-1,12-dione")
- InChI
- InChI=1S/C22H16N2O2/c25-17-9-11-23-15-7-3-4-8-16(15)24-12-10-18(26)20-14-6-2-1-5-13(14)19(17)21(23)22(20)24/h1-8H,9-12H2
- InChI Key
- CJVPWNJSVOPLPU-UHFFFAOYSA-N
- Formula
- C22H16N2O2
- SMILES
-
O=C1CCN2c3ccccc3N3CCC(=O)c4c3c
2c1c1ccccc41 - Molecular Weight1
- 340.37
- CAS
- 100436-05-3
- 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 | 0.8567 | Relay (... Calculated Property | |
| ΔfG° | 188.07 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 98.41 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 134.40 | kJ/mol | Relay (... Calculated Property |
| IE | 7.25 | eV | Relay (... Calculated Property |
| log10WS | -5.73 | Relay (... Calculated Property | |
| logPoct/wat | 4.602 | Crippen Calculated Property | |
| McVol | 244.380 | ml/mol | McGowan Calculated Property |
| Pc | 1578.13 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 787.23 | K | Relay (... Calculated Property |
| Tc | 1203.63 | K | Relay (... Calculated Property |
| Tfus | 540.07 | K | Relay (... Calculated Property |
| Vc | 0.943 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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