- InChI
- InChI=1S/C13H11NS/c1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,1H3
- InChI Key
- QXBUYALKJGBACG-UHFFFAOYSA-N
- Formula
- C13H11NS
- SMILES
- CN1c2ccccc2Sc2ccccc21
- Molecular Weight1
- 213.30
- CAS
- 1207-72-3
- Other Names
-
- 10-methyl-10H-phenothiazine
- 10-methylphenothiazine
- 9,10-Dibenzoisothiazine, 10-methyl-
- N-methylphenothiazine
- Phenothiazide methyl derivative
- Phenothiazine, 10-methyl-
- ΔvapH : Enthalpy of vaporization 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).
- 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 |
|---|---|---|---|
| IE | [6.73; 7.15] | eV |
|
| IE | 6.73 ± 0.07 | eV | NIST |
| IE | 7.15 ± 0.07 | eV | NIST |
| log10WS | -5.59 | Aq. Solubility Prediction | |
| logPoct/wat | 3.919 | Crippen Calculated Property | |
| McVol | 161.980 | ml/mol | McGowan Calculated Property |
| Tboil | 639.40 | K | Relay (1.0) Calculated Property |
| Tfus | 377.56 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 |
|---|---|---|---|---|
| ΔvapH | 103.60 | kJ/mol | 298.15 | Energetic insights on two dye key molecules: N-methylphenothiazine and N-methylphenoxazine |
Similar Compounds
Find more compounds similar to 10H-Phenothiazine, 10-methyl-.
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
- Energetic insights on two dye key molecules: N-methylphenothiazine and N-methylphenoxazine
- Diffusion coefficient of 10-methylphenothiazine and dimethyl carbonate mixture from 288.15 K to 313.15 K
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.