- InChI
- InChI=1S/C3H4S3/c1-2-4-6-5-3-1/h1-2H,3H2
- InChI Key
- YIHDDWFPRQQFCP-UHFFFAOYSA-N
- Formula
- C3H4S3
- SMILES
- C1=CSSSC1
- Molecular Weight1
- 136.26
- CAS
- 290-30-2
- 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 | 0.1903 | Relay (1.0) Calculated Property | |
| ΔfG° | 156.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 170.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.543 | Crippen Calculated Property | |
| McVol | 87.020 | ml/mol | McGowan Calculated Property |
| Pc | 6400.00 | kPa | Joback Calculated Property |
| Inp | [1201.50; 1201.50] |
|
|
| Inp | 1201.50 | NIST | |
| Inp | 1201.50 | NIST | |
| I | [1841.00; 1841.00] |
|
|
| I | 1841.00 | NIST | |
| I | 1841.00 | NIST | |
| Tboil | 498.85 | K | Relay (1.0) Calculated Property |
| Tc | 741.75 | K | Relay (1.0) Calculated Property |
| Tfus | 318.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.290 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.81; 175.52] | J/mol×K | [434.91; 708.38] |
|
| Cp,gas | 133.81 | J/mol×K | 434.91 | Joback Calculated Property |
| Cp,gas | 142.51 | J/mol×K | 480.49 | Joback Calculated Property |
| Cp,gas | 150.44 | J/mol×K | 526.07 | Joback Calculated Property |
| Cp,gas | 157.65 | J/mol×K | 571.65 | Joback Calculated Property |
| Cp,gas | 164.20 | J/mol×K | 617.23 | Joback Calculated Property |
| Cp,gas | 170.14 | J/mol×K | 662.81 | Joback Calculated Property |
| Cp,gas | 175.52 | J/mol×K | 708.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4H-1,2,3-Trithiine.
Sources
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