- InChI
- InChI=1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H
- InChI Key
- BXAVKNRWVKUTLY-UHFFFAOYSA-N
- Formula
- C6H6OS
- SMILES
- Oc1ccc(S)cc1
- Molecular Weight1
- 126.18
- CAS
- 637-89-8
- Other Names
-
- p-Hydroxythiophenol
- 4-Hydroxythiophenol
- Phenol, 4-mercapto-
- p-Mercaptophenol
- Hydroquinone, monothio-
- Monothiohydroquinone
- Phenol, p-mercapto-
- Thiohydroquinone
- USAF B-57
- 4-Hydroxybenzenethiol
- NSC 46192
- p-Hydroxybenzenethiol
- 4-Sulfanylphenol
- 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 | 0.4827 | Relay (1.0) Calculated Property | |
| ΔfG° | -13.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -58.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.681 | Crippen Calculated Property | |
| McVol | 93.860 | ml/mol | McGowan Calculated Property |
| Pc | 6400.00 | kPa | Joback Calculated Property |
| Inp | [1319.40; 1319.40] |
|
|
| Inp | 1319.40 | NIST | |
| Inp | 1319.40 | NIST | |
| Tboil | 534.72 | K | Relay (1.0) Calculated Property |
| Tc | 777.83 | K | Relay (1.0) Calculated Property |
| Tfus | 357.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.291 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.39; 229.38] | J/mol×K | [506.84; 766.12] |
|
| Cp,gas | 184.39 | J/mol×K | 506.84 | Joback Calculated Property |
| Cp,gas | 193.79 | J/mol×K | 550.05 | Joback Calculated Property |
| Cp,gas | 202.28 | J/mol×K | 593.27 | Joback Calculated Property |
| Cp,gas | 209.98 | J/mol×K | 636.48 | Joback Calculated Property |
| Cp,gas | 216.99 | J/mol×K | 679.69 | Joback Calculated Property |
| Cp,gas | 223.42 | J/mol×K | 722.90 | Joback Calculated Property |
| Cp,gas | 229.38 | J/mol×K | 766.12 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [408.20; 440.20] | K | [1.50; 6.00] |
|
| Tboilr | 408.20 | K | 1.50 | NIST |
| Tboilr | 422.70 | K | 3.30 | NIST |
| Tboilr | 440.20 | K | 6.00 | NIST |
Similar Compounds
Find more compounds similar to 4-Mercaptophenol.
Sources
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