- InChI
- InChI=1S/C13H11NS/c1-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)15-13/h2-8,14H,1H3
- InChI Key
- BXXQZMJEARUBHO-UHFFFAOYSA-N
- Formula
- C13H11NS
- SMILES
- Cc1ccc2c(c1)Nc1ccccc1S2
- Molecular Weight1
- 213.30
- CAS
- 5828-51-3
- Other Names
-
- 10H-Phenothiazine, 2-methyl-
- Phenothiazine, 2-methyl-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 462.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 309.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.41 | Crippen Calculated Property | |
| logPoct/wat | 4.203 | Crippen Calculated Property | |
| McVol | 161.980 | ml/mol | McGowan Calculated Property |
| Pc | 3493.01 | kPa | Joback Calculated Property |
| Tboil | 668.66 | K | Joback Calculated Property |
| Tc | 939.87 | K | Joback Calculated Property |
| Tfus | 540.85 | K | Joback Calculated Property |
| Vc | 0.597 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.94; 460.36] | J/mol×K | [668.66; 939.87] | 
|
| Cp,gas | 389.94 | J/mol×K | 668.66 | Joback Calculated Property |
| Cp,gas | 404.09 | J/mol×K | 713.86 | Joback Calculated Property |
| Cp,gas | 417.10 | J/mol×K | 759.06 | Joback Calculated Property |
| Cp,gas | 429.08 | J/mol×K | 804.26 | Joback Calculated Property |
| Cp,gas | 440.20 | J/mol×K | 849.46 | Joback Calculated Property |
| Cp,gas | 450.57 | J/mol×K | 894.67 | Joback Calculated Property |
| Cp,gas | 460.36 | J/mol×K | 939.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylphenothiazine.
Sources
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