- InChI
- InChI=1S/C7H8OS/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
- InChI Key
- SOOARYARZPXNAL-UHFFFAOYSA-N
- Formula
- C7H8OS
- SMILES
- CSc1ccccc1O
- Molecular Weight1
- 140.20
- CAS
- 1073-29-6
- Other Names
-
- Phenol, o-(methylthio)-
- o-(Methylthio)phenol
- o-Hydroxythioanisole
- 2-(Methylthio)phenol
- 2-(Methylmercapto)phenol
- 2-(Methylsulfanyl)phenol
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -1.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -86.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.28 | kJ/mol | Joback Calculated Property |
| log10WS | -1.76 | Crippen Calculated Property | |
| logPoct/wat | 2.114 | Crippen Calculated Property | |
| McVol | 107.950 | ml/mol | McGowan Calculated Property |
| Pc | 5153.45 | kPa | Joback Calculated Property |
| Inp | [1111.00; 1190.60] |
|
|
| Inp | 1111.00 | NIST | |
| Inp | 1111.00 | NIST | |
| Inp | 1190.60 | NIST | |
| Inp | 1175.00 | NIST | |
| Tboil | 535.64 | K | Joback Calculated Property |
| Tc | 788.76 | K | Joback Calculated Property |
| Tfus | 341.19 | K | Joback Calculated Property |
| Vc | 0.340 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.91; 279.79] | J/mol×K | [535.64; 788.76] |
|
| Cp,gas | 226.91 | J/mol×K | 535.64 | Joback Calculated Property |
| Cp,gas | 237.66 | J/mol×K | 577.83 | Joback Calculated Property |
| Cp,gas | 247.52 | J/mol×K | 620.01 | Joback Calculated Property |
| Cp,gas | 256.57 | J/mol×K | 662.20 | Joback Calculated Property |
| Cp,gas | 264.90 | J/mol×K | 704.39 | Joback Calculated Property |
| Cp,gas | 272.61 | J/mol×K | 746.57 | Joback Calculated Property |
| Cp,gas | 279.79 | J/mol×K | 788.76 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 376.70 | K | 2.80 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 2-(methylthio)-.
Sources
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