![2,4,5-Trimethyl-[1,3]dithiole](/cid/92-106-2/2-4-5-Trimethyl-1-3-dithiole.png "2,4,5-Trimethyl-[1,3]dithiole")
- InChI
- InChI=1S/C6H12S2/c1-4-5(2)8-6(3)7-4/h4-6H,1-3H3
- InChI Key
- CEEIENLFRSOFRE-UHFFFAOYSA-N
- Formula
- C6H12S2
- SMILES
- CC1SC(C)C(C)S1
- 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).
- I : 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° | 100.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -56.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.21 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 2.589 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 3493.01 | kPa | Joback Calculated Property |
| I | [1586.00; 1586.00] |
|
|
| I | 1586.00 | NIST | |
| I | 1586.00 | NIST | |
| Tboil | 438.28 | K | Joback Calculated Property |
| Tc | 667.13 | K | Joback Calculated Property |
| Tfus | 326.70 | K | Joback Calculated Property |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.73; 306.41] | J/mol×K | [438.28; 667.13] |
|
| Cp,gas | 227.73 | J/mol×K | 438.28 | Joback Calculated Property |
| Cp,gas | 242.74 | J/mol×K | 476.42 | Joback Calculated Property |
| Cp,gas | 256.96 | J/mol×K | 514.56 | Joback Calculated Property |
| Cp,gas | 270.42 | J/mol×K | 552.70 | Joback Calculated Property |
| Cp,gas | 283.13 | J/mol×K | 590.84 | Joback Calculated Property |
| Cp,gas | 295.12 | J/mol×K | 628.99 | Joback Calculated Property |
| Cp,gas | 306.41 | J/mol×K | 667.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trimethyl-[1,3]dithiole.
Sources
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