- InChI
- InChI=1S/C4H6S2/c1-4-2-3-5-6-4/h2-4H,1H3
- InChI Key
- NKTXJFKBFZWDLD-UHFFFAOYSA-N
- Formula
- C4H6S2
- SMILES
- CC1C=CSS1
- Molecular Weight1
- 118.22
- CAS
- 118023-96-4
- 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° | 129.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 82.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 2.284 | Crippen Calculated Property | |
| McVol | 84.760 | ml/mol | McGowan Calculated Property |
| Pc | 5116.65 | kPa | Joback Calculated Property |
| Inp | [1058.80; 1058.80] |
|
|
| Inp | 1058.80 | NIST | |
| Inp | 1058.80 | NIST | |
| Inp | 1058.80 | NIST | |
| Tboil | 401.02 | K | Joback Calculated Property |
| Tc | 639.88 | K | Joback Calculated Property |
| Tfus | 313.40 | K | Joback Calculated Property |
| Vc | 0.279 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.70; 186.65] | J/mol×K | [401.02; 639.88] |
|
| Cp,gas | 136.70 | J/mol×K | 401.02 | Joback Calculated Property |
| Cp,gas | 146.62 | J/mol×K | 440.83 | Joback Calculated Property |
| Cp,gas | 155.85 | J/mol×K | 480.64 | Joback Calculated Property |
| Cp,gas | 164.43 | J/mol×K | 520.45 | Joback Calculated Property |
| Cp,gas | 172.40 | J/mol×K | 560.26 | Joback Calculated Property |
| Cp,gas | 179.79 | J/mol×K | 600.07 | Joback Calculated Property |
| Cp,gas | 186.65 | J/mol×K | 639.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-3H-1,2-dithiole.
Sources
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