- InChI
- InChI=1S/C7H16S2/c1-6(2)9-7(3,4)8-5/h6H,1-5H3
- InChI Key
- XKBRTPMCDMZXEH-UHFFFAOYSA-N
- Formula
- C7H16S2
- SMILES
- CSC(C)(C)SC(C)C
- Molecular Weight1
- 164.33
- 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° | 74.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.13 | kJ/mol | Joback Calculated Property |
| log10WS | -3.24 | Crippen Calculated Property | |
| logPoct/wat | 3.227 | Crippen Calculated Property | |
| McVol | 142.190 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Inp | [1089.00; 1089.00] |
|
|
| Inp | 1089.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Tboil | 493.45 | K | Joback Calculated Property |
| Tc | 721.94 | K | Joback Calculated Property |
| Tfus | 224.87 | K | Joback Calculated Property |
| Vc | 0.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.74; 377.31] | J/mol×K | [493.45; 721.94] |
|
| Cp,gas | 299.74 | J/mol×K | 493.45 | Joback Calculated Property |
| Cp,gas | 314.82 | J/mol×K | 531.53 | Joback Calculated Property |
| Cp,gas | 329.00 | J/mol×K | 569.61 | Joback Calculated Property |
| Cp,gas | 342.32 | J/mol×K | 607.69 | Joback Calculated Property |
| Cp,gas | 354.78 | J/mol×K | 645.77 | Joback Calculated Property |
| Cp,gas | 366.44 | J/mol×K | 683.86 | Joback Calculated Property |
| Cp,gas | 377.31 | J/mol×K | 721.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,4-trimethyl-3,5-dithiahexane.
Sources
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