- InChI
- InChI=1S/C7H14S2/c1-2-5-9-7-3-6-8-4-1/h1-7H2
- InChI Key
- KOZNIBXZFWPVBI-UHFFFAOYSA-N
- Formula
- C7H14S2
- SMILES
- C1CCSCCCSC1
- Molecular Weight1
- 162.32
- 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° | 83.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -41.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.05 | kJ/mol | Joback Calculated Property |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 2.637 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| Inp | [1225.00; 1235.00] |
|
|
| Inp | 1225.00 | NIST | |
| Inp | 1235.00 | NIST | |
| I | [1761.00; 1761.00] |
|
|
| I | 1761.00 | NIST | |
| I | 1761.00 | NIST | |
| Tboil | 492.25 | K | Joback Calculated Property |
| Tc | 757.58 | K | Joback Calculated Property |
| Tfus | 336.61 | K | Joback Calculated Property |
| Vc | 0.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.26; 364.20] | J/mol×K | [492.25; 757.58] |
|
| Cp,gas | 265.26 | J/mol×K | 492.25 | Joback Calculated Property |
| Cp,gas | 284.92 | J/mol×K | 536.47 | Joback Calculated Property |
| Cp,gas | 303.28 | J/mol×K | 580.69 | Joback Calculated Property |
| Cp,gas | 320.37 | J/mol×K | 624.91 | Joback Calculated Property |
| Cp,gas | 336.21 | J/mol×K | 669.13 | Joback Calculated Property |
| Cp,gas | 350.82 | J/mol×K | 713.35 | Joback Calculated Property |
| Cp,gas | 364.20 | J/mol×K | 757.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-dithiacyclooctane.
Sources
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