- InChI
- InChI=1S/C2H6S2/c1-4-2-3/h3H,2H2,1H3
- InChI Key
- IXBUFAUQDFHNGI-UHFFFAOYSA-N
- Formula
- C2H6S2
- SMILES
- CSCS
- Molecular Weight1
- 94.20
- ω : Acentric Factor.
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2752 | Relay (1.0) Calculated Property | |
| ΔfG° | 28.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.237 | Crippen Calculated Property | |
| McVol | 71.740 | ml/mol | McGowan Calculated Property |
| Pc | 5661.74 | kPa | Joback Calculated Property |
| Inp | [723.00; 725.00] |
|
|
| Inp | 723.00 | NIST | |
| Inp | 725.00 | NIST | |
| Inp | 723.00 | NIST | |
| Tboil | 397.73 | K | Relay (1.0) Calculated Property |
| Tc | 667.04 | K | Relay (1.0) Calculated Property |
| Tfus | 201.41 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [89.20; 174.47] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.55610e+01 | |||
| Coefficient B | 2.15510e-01 | |||
| Coefficient C | -6.72000e-05 | |||
| Coefficient D | -9.40000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 89.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 102.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 115.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 127.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 138.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 147.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 156.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 163.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 169.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 174.47 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Dithiomethane, methyl.
Sources
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