- InChI
- InChI=1S/C4H6S2/c1-2-4-6-5-3-1/h1,3H,2,4H2
- InChI Key
- KRXAVBPUAIKSFF-UHFFFAOYSA-N
- Formula
- C4H6S2
- SMILES
- C1=CSSCC1
- Molecular Weight1
- 118.22
- 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.
- 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 | 0.1891 | Relay (1.0) Calculated Property | |
| ΔfG° | 124.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 120.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.285 | Crippen Calculated Property | |
| McVol | 84.760 | ml/mol | McGowan Calculated Property |
| Pc | 5569.17 | kPa | Joback Calculated Property |
| Inp | 1168.00 | NIST | |
| Tboil | 446.36 | K | Relay (1.0) Calculated Property |
| Tc | 683.36 | K | Relay (1.0) Calculated Property |
| Tfus | 238.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.285 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.22; 185.58] | J/mol×K | [409.96; 659.97] | 
|
| Cp,gas | 133.22 | J/mol×K | 409.96 | Joback Calculated Property |
| Cp,gas | 143.76 | J/mol×K | 451.63 | Joback Calculated Property |
| Cp,gas | 153.52 | J/mol×K | 493.30 | Joback Calculated Property |
| Cp,gas | 162.54 | J/mol×K | 534.97 | Joback Calculated Property |
| Cp,gas | 170.86 | J/mol×K | 576.64 | Joback Calculated Property |
| Cp,gas | 178.53 | J/mol×K | 618.30 | Joback Calculated Property |
| Cp,gas | 185.58 | J/mol×K | 659.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trithiacyclohexene.
Sources
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