- InChI
- InChI=1S/C6H6O2S/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
- InChI Key
- JEHKKBHWRAXMCH-UHFFFAOYSA-N
- Formula
- C6H6O2S
- SMILES
- O=S(O)c1ccccc1
- Molecular Weight1
- 142.18
- CAS
- 618-41-7
- Other Names
-
- benzenesulphinic 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).
- 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 | 0.5766 | Relay (1.0) Calculated Property | |
| ΔfG° | -242.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.267 | Crippen Calculated Property | |
| McVol | 99.730 | ml/mol | McGowan Calculated Property |
| Pc | 6056.11 | kPa | Joback Calculated Property |
| Tboil | 539.56 | K | Relay (1.0) Calculated Property |
| Tc | 840.10 | K | Relay (1.0) Calculated Property |
| Tfus | 420.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.351 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.80; 244.09] | J/mol×K | [513.82; 723.75] | 
|
| Cp,gas | 198.80 | J/mol×K | 513.82 | Joback Calculated Property |
| Cp,gas | 207.70 | J/mol×K | 548.81 | Joback Calculated Property |
| Cp,gas | 216.05 | J/mol×K | 583.80 | Joback Calculated Property |
| Cp,gas | 223.85 | J/mol×K | 618.78 | Joback Calculated Property |
| Cp,gas | 231.11 | J/mol×K | 653.77 | Joback Calculated Property |
| Cp,gas | 237.85 | J/mol×K | 688.76 | Joback Calculated Property |
| Cp,gas | 244.09 | J/mol×K | 723.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfinic-acid-.
Sources
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