- InChI
- InChI=1S/C12H22S2/c1-2-3-4-5-6-7-8-12-11-13-9-10-14-12/h9-10,12H,2-8,11H2,1H3
- InChI Key
- GIIHRUNWMSFEQZ-UHFFFAOYSA-N
- Formula
- C12H22S2
- SMILES
- CCCCCCCCC1CSC=CS1
- Molecular Weight1
- 230.43
- 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° | 184.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -88.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.65 | kJ/mol | Joback Calculated Property |
| log10WS | -5.46 | Crippen Calculated Property | |
| logPoct/wat | 5.057 | Crippen Calculated Property | |
| McVol | 197.480 | ml/mol | McGowan Calculated Property |
| Pc | 2181.56 | kPa | Joback Calculated Property |
| Inp | 1801.00 | NIST | |
| Tboil | 588.33 | K | Joback Calculated Property |
| Tc | 805.33 | K | Joback Calculated Property |
| Tfus | 400.04 | K | Joback Calculated Property |
| Vc | 0.719 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.48; 584.04] | J/mol×K | [588.33; 805.33] | 
|
| Cp,gas | 485.48 | J/mol×K | 588.33 | Joback Calculated Property |
| Cp,gas | 504.56 | J/mol×K | 624.50 | Joback Calculated Property |
| Cp,gas | 522.52 | J/mol×K | 660.66 | Joback Calculated Property |
| Cp,gas | 539.40 | J/mol×K | 696.83 | Joback Calculated Property |
| Cp,gas | 555.25 | J/mol×K | 733.00 | Joback Calculated Property |
| Cp,gas | 570.12 | J/mol×K | 769.16 | Joback Calculated Property |
| Cp,gas | 584.04 | J/mol×K | 805.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Octyl-2,3-dehydro-1,4-dithiane.
Sources
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