- InChI
- InChI=1S/C6H14O2S2/c1-3-5-9-10(7,8)6-4-2/h3-6H2,1-2H3
- InChI Key
- OUIASSQOLAEHIR-UHFFFAOYSA-N
- Formula
- C6H14O2S2
- SMILES
- CCCSS(=O)(=O)CCC
- Molecular Weight1
- 182.30
- 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° | -435.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 1.869 | Crippen Calculated Property | |
| McVol | 139.840 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Inp | [1392.80; 1392.80] |
|
|
| Inp | 1392.80 | NIST | |
| Inp | 1392.80 | NIST | |
| Tboil | 453.24 | K | Joback Calculated Property |
| Tc | 638.07 | K | Joback Calculated Property |
| Tfus | 230.34 | K | Joback Calculated Property |
| Vc | 0.551 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.77; 346.20] | J/mol×K | [453.24; 638.07] |
|
| Cp,gas | 279.77 | J/mol×K | 453.24 | Joback Calculated Property |
| Cp,gas | 292.00 | J/mol×K | 484.04 | Joback Calculated Property |
| Cp,gas | 303.78 | J/mol×K | 514.85 | Joback Calculated Property |
| Cp,gas | 315.09 | J/mol×K | 545.65 | Joback Calculated Property |
| Cp,gas | 325.94 | J/mol×K | 576.46 | Joback Calculated Property |
| Cp,gas | 336.31 | J/mol×K | 607.26 | Joback Calculated Property |
| Cp,gas | 346.20 | J/mol×K | 638.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-Propyl propane-1-sulfonothioate.
Sources
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