- InChI
- InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
- InChI Key
- QASBCTGZKABPKX-UHFFFAOYSA-N
- Formula
- C7H8OS
- SMILES
- CSc1ccc(O)cc1
- Molecular Weight1
- 140.20
- CAS
- 1073-72-9
- Other Names
-
- Phenol, p-(methylthio)-
- p-(Methylthio)phenol
- 4-(Methylthio)phenol
- 4-Hydroxyphenyl methyl sulfide
- Methyl 4-hydroxyphenyl sulfide
- p-Hydroxyphenyl methyl sulfide
- p-Hydroxythioanisole
- NSC 75840
- Phenol, p-methylmercapto-
- 4-Methylsulfanylphenol
- 4-(Methylmercapto)phenol
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4829 | Relay (... Calculated Property | |
| ΔfG° | -1.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -81.65 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.61 | kJ/mol | Relay (... Calculated Property |
| IE | 7.86 | eV | Relay (... Calculated Property |
| log10WS | -1.43 | Relay (... 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 | 1416.30 | NIST | |
| Tboil | 546.01 | K | Relay (... Calculated Property |
| Tc | 756.19 | K | Relay (... Calculated Property |
| Tfus | 356.02 | K | Relay (... Calculated Property |
| Vc | 0.349 | m3/kmol | Relay (... 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 | 427.70 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 4-(methylthio)-.
Sources
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