- InChI
- InChI=1S/C4H6O6S/c5-3(6)1-11(9,10)2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
- InChI Key
- WDYRPTWUNMHTJL-UHFFFAOYSA-N
- Formula
- C4H6O6S
- SMILES
- O=C(O)CS(=O)(=O)CC(=O)O
- Molecular Weight1
- 182.15
- CAS
- 123-45-5
- 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° | -1017.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1108.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.98 | kJ/mol | Joback Calculated Property |
| log10WS | 1.47 | Crippen Calculated Property | |
| logPoct/wat | -1.430 | Crippen Calculated Property | |
| McVol | 110.190 | ml/mol | McGowan Calculated Property |
| Pc | 7735.33 | kPa | Joback Calculated Property |
| Tboil | 630.80 | K | Joback Calculated Property |
| Tc | 804.18 | K | Joback Calculated Property |
| Tfus | 394.90 | K | Joback Calculated Property |
| Vc | 0.435 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.98; 291.91] | J/mol×K | [630.80; 804.18] | 
|
| Cp,gas | 261.98 | J/mol×K | 630.80 | Joback Calculated Property |
| Cp,gas | 267.82 | J/mol×K | 659.70 | Joback Calculated Property |
| Cp,gas | 273.33 | J/mol×K | 688.59 | Joback Calculated Property |
| Cp,gas | 278.49 | J/mol×K | 717.49 | Joback Calculated Property |
| Cp,gas | 283.32 | J/mol×K | 746.38 | Joback Calculated Property |
| Cp,gas | 287.79 | J/mol×K | 775.28 | Joback Calculated Property |
| Cp,gas | 291.91 | J/mol×K | 804.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, sulfonyldi-.
Sources
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