- 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
- CAS
- 1074-36-8
- 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° | -125.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.55 | 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 | 5446.55 | kPa | Joback Calculated Property |
| Inp | 1503.00 | NIST | |
| Tboil | 576.97 | K | Relay (1.0) Calculated Property |
| Tc | 826.96 | K | Relay (1.0) Calculated Property |
| Tfus | 485.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.357 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.89; 272.77] | J/mol×K | [600.13; 829.79] | 
|
| Cp,gas | 231.89 | J/mol×K | 600.13 | Joback Calculated Property |
| Cp,gas | 240.11 | J/mol×K | 638.41 | Joback Calculated Property |
| Cp,gas | 247.73 | J/mol×K | 676.68 | Joback Calculated Property |
| Cp,gas | 254.78 | J/mol×K | 714.96 | Joback Calculated Property |
| Cp,gas | 261.28 | J/mol×K | 753.24 | Joback Calculated Property |
| Cp,gas | 267.27 | J/mol×K | 791.51 | Joback Calculated Property |
| Cp,gas | 272.77 | J/mol×K | 829.79 | Joback Calculated Property |
Similar Compounds
![Benzoic acid, 4-[(4-chlorophenyl)sulfonyl]-.](data:image/png;base64,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)
Find more compounds similar to Benzoic acid, 4-mercapto-.
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