- 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
- Phenazine-«alpha»-carboxylic acid
- Phenazinecarboxylic acid
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -79.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.481 | Crippen Calculated Property | |
| McVol | 158.750 | ml/mol | McGowan Calculated Property |
| Tboil | 660.22 | K | Relay (1.0) Calculated Property |
| Tc | 1029.75 | K | Relay (1.0) Calculated Property |
| Tfus | 550.18 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
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.
Mixtures
- Water + 1-Phenazinecarboxylic acid
- Methyl Alcohol + 1-Phenazinecarboxylic acid
- Ethanol + 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
- Solubility of Phenazine-1-carboxylic Acid in Water, Methanol, and Ethanol from (278.2 to 328.2) K
- McGowan Method
- NIST Webbook
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