- InChI
- InChI=1S/C2H4S3/c1-3-2-5-4-1/h1-2H2
- InChI Key
- QHGFEUAAQKJXDI-UHFFFAOYSA-N
- Formula
- C2H4S3
- SMILES
- C1SCSS1
- Molecular Weight1
- 124.25
- CAS
- 289-16-7
- 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 | 0.2124 | Relay (... Calculated Property | |
| ΔfG° | 129.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 79.98 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 4.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.53 | kJ/mol | Relay (... Calculated Property |
| IE | [8.70; 8.72] | eV |
|
| IE | 8.70 ± 0.20 | eV | NIST |
| IE | 8.72 | eV | NIST |
| log10WS | -1.72 | Relay (... Calculated Property | |
| logPoct/wat | 2.030 | Crippen Calculated Property | |
| McVol | 77.230 | ml/mol | McGowan Calculated Property |
| Pc | 6774.04 | kPa | Joback Calculated Property |
| Inp | [1065.00; 1127.00] |
|
|
| Inp | 1127.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Inp | 1107.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1107.00 | NIST | |
| Inp | 1127.00 | NIST | |
| I | [1760.00; 1760.00] |
|
|
| I | 1760.00 | NIST | |
| I | 1760.00 | NIST | |
| Tboil | 492.47 | K | Relay (... Calculated Property |
| Tc | 741.99 | K | Relay (... Calculated Property |
| Tfus | 393.91 | K | Relay (... Calculated Property |
| Vc | 0.257 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [114.80; 151.80] | J/mol×K | [408.60; 671.88] |
|
| Cp,gas | 114.80 | J/mol×K | 408.60 | Joback Calculated Property |
| Cp,gas | 122.51 | J/mol×K | 452.48 | Joback Calculated Property |
| Cp,gas | 129.53 | J/mol×K | 496.36 | Joback Calculated Property |
| Cp,gas | 135.92 | J/mol×K | 540.24 | Joback Calculated Property |
| Cp,gas | 141.72 | J/mol×K | 584.12 | Joback Calculated Property |
| Cp,gas | 147.00 | J/mol×K | 628.00 | Joback Calculated Property |
| Cp,gas | 151.80 | J/mol×K | 671.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4-Trithiolane.
Sources
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