- InChI
- InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)
- InChI Key
- NBOMNTLFRHMDEZ-UHFFFAOYSA-N
- Formula
- C7H6O2S
- SMILES
- O=C(O)c1ccccc1S
- Molecular Weight1
- 154.19
- CAS
- 147-93-3
- Other Names
-
- Benzoic acid, o-mercapto-
- o-Benzoic acid thiol
- o-Mercaptobenzoic acid
- o-Sulfhydrylbenzoic acid
- o-Thiosalicylic acid
- Salicylic acid, 2-thio-
- 2-Carboxythiophenol
- 2-Mercaptobenzoic acid
- Thiosalicylic acid
- o-Mercaptobenzoesaeure
- USAF EK-T-2805
- USAF KF-2
- USAF XR-35
- o-Carboxythiophenol
- Thiophenol-2-carboxylic acid
- 2-Thiosalicylic acid
- NSC 2184
- NSC 660640
- 2-Sulfanylbenzoic acid
- 860499-02-1
- 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).
- 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° | -125.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.28 | kJ/mol | Joback Calculated Property |
| log10WS | -2.05 | Crippen 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 | [1494.00; 1497.00] |
|
|
| Inp | 1497.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Tboil | 600.13 | K | Joback Calculated Property |
| Tc | 829.79 | K | Joback Calculated Property |
| Tfus | 354.80 | K | Joback Calculated Property |
| Vc | 0.399 | m3/kmol | Joback 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
Find more compounds similar to Benzoic acid, 2-mercapto-.
Sources
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