- InChI
- InChI=1S/C5H8OS2/c1-5(2)4(6)3-7-8-5/h3H2,1-2H3
- InChI Key
- RGBBJHINMRCYLU-UHFFFAOYSA-N
- Formula
- C5H8OS2
- SMILES
- CC1(C)SSCC1=O
- Molecular Weight1
- 148.25
- 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° | -20.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -117.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 3.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.70 | kJ/mol | Joback Calculated Property |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 1.729 | Crippen Calculated Property | |
| McVol | 104.720 | ml/mol | McGowan Calculated Property |
| Pc | 4756.24 | kPa | Joback Calculated Property |
| Tboil | 492.80 | K | Joback Calculated Property |
| Tc | 757.66 | K | Joback Calculated Property |
| Tfus | 416.03 | K | Joback Calculated Property |
| Vc | 0.353 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.30; 269.56] | J/mol×K | [492.80; 757.66] | 
|
| Cp,gas | 208.30 | J/mol×K | 492.80 | Joback Calculated Property |
| Cp,gas | 220.28 | J/mol×K | 536.94 | Joback Calculated Property |
| Cp,gas | 231.36 | J/mol×K | 581.09 | Joback Calculated Property |
| Cp,gas | 241.68 | J/mol×K | 625.23 | Joback Calculated Property |
| Cp,gas | 251.38 | J/mol×K | 669.37 | Joback Calculated Property |
| Cp,gas | 260.63 | J/mol×K | 713.52 | Joback Calculated Property |
| Cp,gas | 269.56 | J/mol×K | 757.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3'-dimethyl-4-oxo-1,2-dithiolane.
Sources
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