- InChI
- InChI=1S/C3H6S4/c1-4-2-6-7-3-5-1/h1-3H2
- InChI Key
- LCABDMYFXTZXMI-UHFFFAOYSA-N
- Formula
- C3H6S4
- SMILES
- C1SCSSCS1
- Molecular Weight1
- 170.34
- CAS
- 292-45-5
- 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.
- I : 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° | 153.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 144.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.43 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.720 | Crippen Calculated Property | |
| McVol | 107.670 | ml/mol | McGowan Calculated Property |
| Pc | 6229.41 | kPa | Joback Calculated Property |
| Inp | [1477.00; 1489.00] |
|
|
| Inp | 1477.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1477.00 | NIST | |
| I | [2420.00; 2420.00] |
|
|
| I | 2420.00 | NIST | |
| I | 2420.00 | NIST | |
| Tboil | 487.85 | K | Joback Calculated Property |
| Tc | 788.29 | K | Joback Calculated Property |
| Tfus | 465.47 | K | Joback Calculated Property |
| Vc | 0.314 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.05; 237.53] | J/mol×K | [487.85; 788.29] |
|
| Cp,gas | 183.05 | J/mol×K | 487.85 | Joback Calculated Property |
| Cp,gas | 194.41 | J/mol×K | 537.92 | Joback Calculated Property |
| Cp,gas | 204.79 | J/mol×K | 588.00 | Joback Calculated Property |
| Cp,gas | 214.24 | J/mol×K | 638.07 | Joback Calculated Property |
| Cp,gas | 222.81 | J/mol×K | 688.14 | Joback Calculated Property |
| Cp,gas | 230.56 | J/mol×K | 738.22 | Joback Calculated Property |
| Cp,gas | 237.53 | J/mol×K | 788.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4,6-Tetrathiepane.
Sources
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