- InChI
- InChI=1S/C6H14O3S/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3
- InChI Key
- IIKLEMKAKOISSP-UHFFFAOYSA-N
- Formula
- C6H14O3S
- SMILES
- CC(C)OS(=O)OC(C)C
- Molecular Weight1
- 166.24
- CAS
- 4773-13-1
- Other Names
-
- Sulfurous acid, diisopropyl ester
- Diisopropyl sulfite
- Diisopropyl ester of sulphurous 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).
- 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° | -432.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.72 | kJ/mol | Joback Calculated Property |
| log10WS | -1.35 | Crippen Calculated Property | |
| logPoct/wat | 1.415 | Crippen Calculated Property | |
| McVol | 129.360 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Tboil | 438.92 | K | Joback Calculated Property |
| Tc | 622.07 | K | Joback Calculated Property |
| Tfus | 208.32 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.55; 329.64] | J/mol×K | [438.92; 622.07] | 
|
| Cp,gas | 264.55 | J/mol×K | 438.92 | Joback Calculated Property |
| Cp,gas | 276.24 | J/mol×K | 469.44 | Joback Calculated Property |
| Cp,gas | 287.61 | J/mol×K | 499.97 | Joback Calculated Property |
| Cp,gas | 298.66 | J/mol×K | 530.49 | Joback Calculated Property |
| Cp,gas | 309.35 | J/mol×K | 561.02 | Joback Calculated Property |
| Cp,gas | 319.69 | J/mol×K | 591.54 | Joback Calculated Property |
| Cp,gas | 329.64 | J/mol×K | 622.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sulfurous acid, bis(1-methylethyl) ester.
Sources
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