- InChI
- InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)
- InChI Key
- LMJXSOYPAOSIPZ-UHFFFAOYSA-N
- Formula
- C7H6O2S
- SMILES
- O=C(O)c1ccc(S)cc1
- Molecular Weight1
- 154.19
- Other Names
-
- Benzoic acid, p-mercapto-
- 4-Carboxybenzenethiol
- 4-Mercaptobenzoic acid
- p-Mercaptobenzoic acid
- 4-Sulfanylbenzoic acid
- 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).
- 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 | 0.6552 | Relay (1.0) Calculated Property | |
| ΔfG° | -203.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.673 | Crippen Calculated Property | |
| McVol | 109.520 | ml/mol | McGowan Calculated Property |
| Pc | 4952.36 | kPa | Joback Calculated Property |
| Inp | 1503.00 | NIST | |
| Tboil | 576.97 | K | Relay (1.0) Calculated Property |
| Tc | 826.72 | K | Relay (1.0) Calculated Property |
| Tfus | 492.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.358 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.61; 278.82] | J/mol×K | [599.79; 854.46] | 
|
| Cp,gas | 234.61 | J/mol×K | 599.79 | Joback Calculated Property |
| Cp,gas | 243.72 | J/mol×K | 642.23 | Joback Calculated Property |
| Cp,gas | 252.07 | J/mol×K | 684.68 | Joback Calculated Property |
| Cp,gas | 259.70 | J/mol×K | 727.12 | Joback Calculated Property |
| Cp,gas | 266.68 | J/mol×K | 769.57 | Joback Calculated Property |
| Cp,gas | 273.03 | J/mol×K | 812.01 | Joback Calculated Property |
| Cp,gas | 278.82 | J/mol×K | 854.46 | Joback Calculated Property |
Similar Compounds
![Benzoic acid, 4-[(4-chlorophenyl)sulfonyl]-.](data:image/png;base64,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)
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