- InChI
- InChI=1S/C6H12S2/c1-3-5-8-6-7-4-2/h4H,2-3,5-6H2,1H3
- InChI Key
- PHXFEPZXKZBZSM-UHFFFAOYSA-N
- Formula
- C6H12S2
- SMILES
- C=CSCSCCC
- Molecular Weight1
- 148.29
- 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° | 153.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 42.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.91 | kJ/mol | Joback Calculated Property |
| log10WS | -2.95 | Crippen Calculated Property | |
| logPoct/wat | 2.964 | Crippen Calculated Property | |
| McVol | 123.800 | ml/mol | McGowan Calculated Property |
| Pc | 3388.08 | kPa | Joback Calculated Property |
| Inp | 1126.00 | NIST | |
| Tboil | 470.92 | K | Joback Calculated Property |
| Tc | 687.95 | K | Joback Calculated Property |
| Tfus | 224.42 | K | Joback Calculated Property |
| Vc | 0.461 | m3/kmol | Joback Calculated Property |
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
Find more compounds similar to 3,5-dithia-1-octene.
Sources
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