- InChI
- InChI=1S/C6H13ClO2S/c1-6(2,3)10(8,9)5-4-7/h4-5H2,1-3H3
- InChI Key
- ZCOVKORAIYPATP-UHFFFAOYSA-N
- Formula
- C6H13ClO2S
- SMILES
- CC(C)(C)S(=O)(=O)CCCl
- Molecular Weight1
- 184.68
- CAS
- 98785-33-2
- 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° | -477.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.67 | kJ/mol | Joback Calculated Property |
| log10WS | -1.43 | Crippen Calculated Property | |
| logPoct/wat | 1.439 | Crippen Calculated Property | |
| McVol | 135.730 | ml/mol | McGowan Calculated Property |
| Pc | 3642.13 | kPa | Joback Calculated Property |
| Tboil | 418.66 | K | Joback Calculated Property |
| Tc | 599.81 | K | Joback Calculated Property |
| Tfus | 228.28 | K | Joback Calculated Property |
| Vc | 0.535 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.41; 325.38] | J/mol×K | [418.66; 599.81] | 
|
| Cp,gas | 259.41 | J/mol×K | 418.66 | Joback Calculated Property |
| Cp,gas | 271.84 | J/mol×K | 448.85 | Joback Calculated Property |
| Cp,gas | 283.68 | J/mol×K | 479.04 | Joback Calculated Property |
| Cp,gas | 294.94 | J/mol×K | 509.23 | Joback Calculated Property |
| Cp,gas | 305.63 | J/mol×K | 539.43 | Joback Calculated Property |
| Cp,gas | 315.78 | J/mol×K | 569.62 | Joback Calculated Property |
| Cp,gas | 325.38 | J/mol×K | 599.81 | Joback Calculated Property |
Similar Compounds
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