- InChI
- InChI=1S/C6H12S2/c1-3-4-8-6-5-7-2/h3H,1,4-6H2,2H3
- InChI Key
- KYQJVWSAHLHJPF-UHFFFAOYSA-N
- Formula
- C6H12S2
- SMILES
- C=CCSCCSC
- Molecular Weight1
- 148.30
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 6.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.269 | Crippen Calculated Property | |
| McVol | 123.800 | ml/mol | McGowan Calculated Property |
| Inp | 1179.00 | NIST | |
| Tboil | 479.94 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.15; 298.22] | J/mol×K | [470.92; 687.95] | 
|
| Cp,gas | 237.15 | J/mol×K | 470.92 | Joback Calculated Property |
| Cp,gas | 248.69 | J/mol×K | 507.09 | Joback Calculated Property |
| Cp,gas | 259.67 | J/mol×K | 543.26 | Joback Calculated Property |
| Cp,gas | 270.11 | J/mol×K | 579.43 | Joback Calculated Property |
| Cp,gas | 280.01 | J/mol×K | 615.61 | Joback Calculated Property |
| Cp,gas | 289.38 | J/mol×K | 651.78 | Joback Calculated Property |
| Cp,gas | 298.22 | J/mol×K | 687.95 | Joback Calculated Property |
Similar Compounds
![1-Propene, 3-[(1-methylethyl)thio]-.](data:image/png;base64,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)
Find more compounds similar to 4,7-dithia-1-octene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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