- InChI
- InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
- InChI Key
- RJWBTWIBUIGANW-UHFFFAOYSA-N
- Formula
- C6H5ClO3S
- SMILES
- O=S(=O)(O)c1ccc(Cl)cc1
- Molecular Weight1
- 192.62
- CAS
- 98-66-8
- Other Names
-
- p-Chlorobenzenesulfonic acid
- Benzenesulfonic acid, 4-chloro-
- 4-chlorobenzenesulphonic acid
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | -514.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -563.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.59 | kJ/mol | Joback Calculated Property |
| log10WS | -1.75 | Crippen Calculated Property | |
| logPoct/wat | 1.587 | Crippen Calculated Property | |
| McVol | 117.840 | ml/mol | McGowan Calculated Property |
| Pc | 6219.59 | kPa | Joback Calculated Property |
| Tboil | 545.73 | K | Joback Calculated Property |
| Tc | 748.41 | K | Joback Calculated Property |
| Tfus | 325.62 | K | Joback Calculated Property |
| Vc | 0.458 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.08; 276.53] | J/mol×K | [545.73; 748.41] | 
|
| Cp,gas | 235.08 | J/mol×K | 545.73 | Joback Calculated Property |
| Cp,gas | 243.25 | J/mol×K | 579.51 | Joback Calculated Property |
| Cp,gas | 250.91 | J/mol×K | 613.29 | Joback Calculated Property |
| Cp,gas | 258.07 | J/mol×K | 647.07 | Joback Calculated Property |
| Cp,gas | 264.72 | J/mol×K | 680.85 | Joback Calculated Property |
| Cp,gas | 270.87 | J/mol×K | 714.63 | Joback Calculated Property |
| Cp,gas | 276.53 | J/mol×K | 748.41 | Joback Calculated Property |
| ΔfusH | [10.60; 10.60] | kJ/mol | [333.20; 333.20] |
|
| ΔfusH | 10.60 | kJ/mol | 333.20 | NIST |
| ΔfusH | 10.60 | kJ/mol | 333.20 | NIST |
Similar Compounds
Find more compounds similar to 4-Chlorobenzenesulfonic acid.
Sources
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