- InChI
- InChI=1S/C6H12OS2/c1-6(2,8)3-4-9-5-7/h5,8H,3-4H2,1-2H3
- InChI Key
- ISYVLZOONZQKJL-UHFFFAOYSA-N
- Formula
- C6H12OS2
- SMILES
- CC(C)(S)CCSC=O
- Molecular Weight1
- 164.29
- 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° | -34.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.93 | kJ/mol | Joback Calculated Property |
| log10WS | -6.82 | Crippen Calculated Property | |
| logPoct/wat | 2.008 | Crippen Calculated Property | |
| McVol | 129.670 | ml/mol | McGowan Calculated Property |
| Pc | 3810.39 | kPa | Joback Calculated Property |
| Inp | 1023.00 | NIST | |
| Tboil | 513.75 | K | Joback Calculated Property |
| Tc | 745.18 | K | Joback Calculated Property |
| Tfus | 272.66 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.31; 332.40] | J/mol×K | [513.75; 745.18] | 
|
| Cp,gas | 272.31 | J/mol×K | 513.75 | Joback Calculated Property |
| Cp,gas | 284.22 | J/mol×K | 552.32 | Joback Calculated Property |
| Cp,gas | 295.32 | J/mol×K | 590.89 | Joback Calculated Property |
| Cp,gas | 305.65 | J/mol×K | 629.47 | Joback Calculated Property |
| Cp,gas | 315.25 | J/mol×K | 668.04 | Joback Calculated Property |
| Cp,gas | 324.15 | J/mol×K | 706.61 | Joback Calculated Property |
| Cp,gas | 332.40 | J/mol×K | 745.18 | Joback Calculated Property |
Similar Compounds
![2-[Isopentylthio]ethanal.](data:image/png;base64,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)
Find more compounds similar to 3-Mercapto-3-methylbutylthioformate.
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