- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2172 | Relay (1.0) Calculated Property | |
| ΔfG° | 130.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 33.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.71 | Relay (1.0) 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 | 484.72 | K | Relay (1.0) Calculated Property |
| Tc | 733.74 | K | Relay (1.0) Calculated Property |
| Tfus | 318.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.307 | m3/kmol | Relay (1.0) 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
Find more compounds similar to 3-methyl-1,2,4-trithiolane.
Sources
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