- InChI
- InChI=1S/C4H8S2/c1-2-4-6-5-3-1/h1-4H2
- InChI Key
- CXWGKAYMVASWDQ-UHFFFAOYSA-N
- Formula
- C4H8S2
- SMILES
- C1CCSSC1
- Molecular Weight1
- 120.24
- CAS
- 505-20-4
- Other Names
-
- o-Dithiane
- Tetramethylene disulfide
- 1,2-Dithiacyclohexane
- 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).
- IE : Ionization energy (eV).
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 94.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 39.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 4.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.86 | kJ/mol | Joback Calculated Property |
| IE | [8.10; 8.36] | eV |
|
| IE | 8.10 | eV | NIST |
| IE | 8.36 | eV | NIST |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 2.162 | Crippen Calculated Property | |
| McVol | 89.060 | ml/mol | McGowan Calculated Property |
| Pc | 5281.57 | kPa | Joback Calculated Property |
| Inp | [1086.00; 1088.00] |
|
|
| Inp | 1086.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1088.00 | NIST | |
| I | [1475.00; 1489.00] |
|
|
| I | 1475.00 | NIST | |
| I | 1489.00 | NIST | |
| I | 1489.00 | NIST | |
| Tboil | 410.80 | K | Joback Calculated Property |
| Tc | 657.97 | K | Joback Calculated Property |
| Tfus | 313.36 | K | Joback Calculated Property |
| Vc | 0.285 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.23; 207.62] | J/mol×K | [410.80; 657.97] |
|
| Cp,gas | 146.23 | J/mol×K | 410.80 | Joback Calculated Property |
| Cp,gas | 158.39 | J/mol×K | 451.99 | Joback Calculated Property |
| Cp,gas | 169.74 | J/mol×K | 493.19 | Joback Calculated Property |
| Cp,gas | 180.29 | J/mol×K | 534.38 | Joback Calculated Property |
| Cp,gas | 190.10 | J/mol×K | 575.58 | Joback Calculated Property |
| Cp,gas | 199.20 | J/mol×K | 616.77 | Joback Calculated Property |
| Cp,gas | 207.62 | J/mol×K | 657.97 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 333.20 | K | 0.70 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Dithiane.
Sources
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