- InChI
- InChI=1S/C6H10OS2/c1-4-3-8-9-5(2)6(4)7/h4-5H,3H2,1-2H3
- InChI Key
- SSIXEKSDRWGGOH-UHFFFAOYSA-N
- Formula
- C6H10OS2
- SMILES
- CC1CSSC(C)C1=O
- Molecular Weight1
- 162.27
- 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° | -26.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.94 | kJ/mol | Joback Calculated Property |
| log10WS | -2.14 | Crippen Calculated Property | |
| logPoct/wat | 1.975 | Crippen Calculated Property | |
| McVol | 118.810 | ml/mol | McGowan Calculated Property |
| Pc | 3911.14 | kPa | Joback Calculated Property |
| Inp | [1261.00; 1261.00] |
|
|
| Inp | 1261.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Tboil | 515.04 | K | Joback Calculated Property |
| Tc | 772.76 | K | Joback Calculated Property |
| Tfus | 395.64 | K | Joback Calculated Property |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.18; 329.93] | J/mol×K | [515.04; 772.76] |
|
| Cp,gas | 251.18 | J/mol×K | 515.04 | Joback Calculated Property |
| Cp,gas | 266.35 | J/mol×K | 557.99 | Joback Calculated Property |
| Cp,gas | 280.73 | J/mol×K | 600.95 | Joback Calculated Property |
| Cp,gas | 294.30 | J/mol×K | 643.90 | Joback Calculated Property |
| Cp,gas | 307.04 | J/mol×K | 686.85 | Joback Calculated Property |
| Cp,gas | 318.93 | J/mol×K | 729.81 | Joback Calculated Property |
| Cp,gas | 329.93 | J/mol×K | 772.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dithian-4-one, 3,5-dimethyl, #2 (E or Z).
Sources
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