- InChI
- InChI=1S/C4H6O6S/c1-3(5)9-11(7,8)10-4(2)6/h1-2H3
- InChI Key
- DAGINYYFSALQDF-UHFFFAOYSA-N
- Formula
- C4H6O6S
- SMILES
- CC(=O)OS(=O)(=O)OC(C)=O
- Molecular Weight1
- 182.15
- 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).
- Inp : Non-polar retention indices.
- 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° | -953.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1068.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.44 | kJ/mol | Joback Calculated Property |
| log10WS | -0.04 | Crippen Calculated Property | |
| logPoct/wat | -0.643 | Crippen Calculated Property | |
| McVol | 110.190 | ml/mol | McGowan Calculated Property |
| Pc | 5446.55 | kPa | Joback Calculated Property |
| Inp | [1352.00; 1352.00] |
|
|
| Inp | 1352.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Tboil | 491.28 | K | Joback Calculated Property |
| Tc | 678.31 | K | Joback Calculated Property |
| Tfus | 317.72 | K | Joback Calculated Property |
| Vc | 0.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.02; 269.79] | J/mol×K | [491.28; 678.31] |
|
| Cp,gas | 227.02 | J/mol×K | 491.28 | Joback Calculated Property |
| Cp,gas | 234.78 | J/mol×K | 522.45 | Joback Calculated Property |
| Cp,gas | 242.33 | J/mol×K | 553.62 | Joback Calculated Property |
| Cp,gas | 249.63 | J/mol×K | 584.80 | Joback Calculated Property |
| Cp,gas | 256.66 | J/mol×K | 615.97 | Joback Calculated Property |
| Cp,gas | 263.39 | J/mol×K | 647.14 | Joback Calculated Property |
| Cp,gas | 269.79 | J/mol×K | 678.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to sulfuryl acetate.
Sources
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