- InChI
- InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)
- InChI Key
- JGCSKOVQDXEQHI-UHFFFAOYSA-N
- Formula
- C13H8N2O2
- SMILES
- O=C(O)c1cccc2nc3ccccc3nc12
- Molecular Weight1
- 224.21
- CAS
- 2538-68-3
- Other Names
-
- 1-Carboxylic acid phenazine
- EMR 211
- NRRL B-1482
- NRRL B-1576
- Phenazinecarboxylic acid
- Phenazine-«alpha»-carboxylic acid
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.8026 | Relay (... Calculated Property | |
| ΔfG° | 21.61 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -79.39 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 120.45 | kJ/mol | Relay (... Calculated Property |
| IE | 8.39 | eV | Relay (... Calculated Property |
| log10WS | -3.16 | Relay (... Calculated Property | |
| logPoct/wat | 2.481 | Crippen Calculated Property | |
| McVol | 158.750 | ml/mol | McGowan Calculated Property |
| Pc | 4339.75 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 660.22 | K | Relay (... Calculated Property |
| Tc | 1030.69 | K | Relay (... Calculated Property |
| Tfus | 546.03 | K | Relay (... Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 35.44 | kJ/mol | 514.50 | NIST |
Similar Compounds
Find more compounds similar to 1-Phenazinecarboxylic acid.
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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