- InChI
- InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
- InChI Key
- SRSXLGNVWSONIS-UHFFFAOYSA-N
- Formula
- C6H6O3S
- SMILES
- O=S(=O)(O)c1ccccc1
- Molecular Weight1
- 158.18
- CAS
- 98-11-3
- Other Names
-
- Benzenemonosulfonic acid
- Benzenesulphonic acid
- Besylic acid
- Phenylsulfonic acid
- Kyselina benzensulfonova
- 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).
- 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° | -493.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -536.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.54 | kJ/mol | Joback Calculated Property |
| log10WS | -1.06 | Crippen Calculated Property | |
| logPoct/wat | 0.933 | Crippen Calculated Property | |
| McVol | 105.600 | ml/mol | McGowan Calculated Property |
| Pc | 6762.90 | kPa | Joback Calculated Property |
| Tboil | 503.32 | K | Joback Calculated Property |
| Tc | 699.94 | K | Joback Calculated Property |
| Tfus | 283.18 | K | Joback Calculated Property |
| Vc | 0.408 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.65; 260.56] | J/mol×K | [503.32; 699.94] | 
|
| Cp,gas | 213.65 | J/mol×K | 503.32 | Joback Calculated Property |
| Cp,gas | 222.77 | J/mol×K | 536.09 | Joback Calculated Property |
| Cp,gas | 231.36 | J/mol×K | 568.86 | Joback Calculated Property |
| Cp,gas | 239.42 | J/mol×K | 601.63 | Joback Calculated Property |
| Cp,gas | 246.98 | J/mol×K | 634.40 | Joback Calculated Property |
| Cp,gas | 254.02 | J/mol×K | 667.17 | Joback Calculated Property |
| Cp,gas | 260.56 | J/mol×K | 699.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonic acid.
Sources
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