- InChI
- InChI=1S/C3H6S3/c1-3-4-2-5-6-3/h3H,2H2,1H3
- InChI Key
- PWVJWPKTQMWOIH-UHFFFAOYSA-N
- Formula
- C3H6S3
- SMILES
- CC1SCSS1
- Molecular Weight1
- 138.28
- Other Names
-
- methyl-1,2,4-trithiolane
- 1,2,4-Trithiolane, 3-methyl
- 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.
- 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° | 130.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 91.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 2.418 | Crippen Calculated Property | |
| McVol | 91.320 | ml/mol | McGowan Calculated Property |
| Pc | 5536.07 | kPa | Joback Calculated Property |
| Inp | [1097.00; 1158.00] |
|
|
| Inp | 1158.00 | NIST | |
| Inp | 1115.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1158.00 | NIST | |
| I | [1857.00; 1857.00] |
|
|
| I | 1857.00 | NIST | |
| I | 1857.00 | NIST | |
| Tboil | 426.81 | K | Joback Calculated Property |
| Tc | 685.35 | K | Joback Calculated Property |
| Tfus | 384.82 | K | Joback Calculated Property |
| Vc | 0.282 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.28; 200.40] | J/mol×K | [426.81; 685.35] |
|
| Cp,gas | 151.28 | J/mol×K | 426.81 | Joback Calculated Property |
| Cp,gas | 161.14 | J/mol×K | 469.90 | Joback Calculated Property |
| Cp,gas | 170.27 | J/mol×K | 512.99 | Joback Calculated Property |
| Cp,gas | 178.72 | J/mol×K | 556.08 | Joback Calculated Property |
| Cp,gas | 186.53 | J/mol×K | 599.17 | Joback Calculated Property |
| Cp,gas | 193.74 | J/mol×K | 642.26 | Joback Calculated Property |
| Cp,gas | 200.40 | J/mol×K | 685.35 | Joback Calculated Property |
Similar Compounds
![3,5-Dimethyl-[1,2,4]trithiolane, stereoisomer 2.](data:image/png;base64,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)
Find more compounds similar to 3-methyl-1,2,4-trithiolane.
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