- InChI
- InChI=1S/C6H12O5S/c1-3-10-6(7)5-12(8,9)11-4-2/h3-5H2,1-2H3
- InChI Key
- VWKJYZVWQUJSEH-UHFFFAOYSA-N
- Formula
- C6H12O5S
- SMILES
- CCOC(=O)CS(=O)(=O)OCC
- Molecular Weight1
- 196.22
- CAS
- 59376-54-4
- 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 | 0.5947 | Relay (1.0) Calculated Property | |
| ΔfG° | -884.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -942.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.084 | Crippen Calculated Property | |
| McVol | 136.800 | ml/mol | McGowan Calculated Property |
| Pc | 3668.65 | kPa | Joback Calculated Property |
| Tboil | 533.72 | K | Relay (1.0) Calculated Property |
| Tc | 733.80 | K | Relay (1.0) Calculated Property |
| Tfus | 259.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.94; 350.65] | J/mol×K | [465.30; 636.16] | 
|
| Cp,gas | 290.94 | J/mol×K | 465.30 | Joback Calculated Property |
| Cp,gas | 301.76 | J/mol×K | 493.78 | Joback Calculated Property |
| Cp,gas | 312.26 | J/mol×K | 522.25 | Joback Calculated Property |
| Cp,gas | 322.41 | J/mol×K | 550.73 | Joback Calculated Property |
| Cp,gas | 332.20 | J/mol×K | 579.20 | Joback Calculated Property |
| Cp,gas | 341.62 | J/mol×K | 607.68 | Joback Calculated Property |
| Cp,gas | 350.65 | J/mol×K | 636.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, sulfo-, diethyl ester.
Sources
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