- InChI
- InChI=1S/C3H8OS3/c1-5-6-3-7(2)4/h3H2,1-2H3
- InChI Key
- PVUZSKRNQWELBA-UHFFFAOYSA-N
- Formula
- C3H8OS3
- SMILES
- CSSCS(C)=O
- Molecular Weight1
- 156.29
- CAS
- 42474-27-1
- 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.
- 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° | -177.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.63 | kJ/mol | Joback Calculated Property |
| log10WS | -0.97 | Crippen Calculated Property | |
| logPoct/wat | 1.334 | Crippen Calculated Property | |
| McVol | 108.050 | ml/mol | McGowan Calculated Property |
| Pc | 5205.63 | kPa | Joback Calculated Property |
| Inp | [1395.00; 1408.00] |
|
|
| Inp | 1408.00 | NIST | |
| Inp | 1395.00 | NIST | |
| Inp | 1408.00 | NIST | |
| Inp | 1395.00 | NIST | |
| Tboil | 463.88 | K | Joback Calculated Property |
| Tc | 694.15 | K | Joback Calculated Property |
| Tfus | 228.85 | K | Joback Calculated Property |
| Vc | 0.402 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.14; 239.81] | J/mol×K | [463.88; 694.15] |
|
| Cp,gas | 192.14 | J/mol×K | 463.88 | Joback Calculated Property |
| Cp,gas | 201.06 | J/mol×K | 502.26 | Joback Calculated Property |
| Cp,gas | 209.63 | J/mol×K | 540.64 | Joback Calculated Property |
| Cp,gas | 217.81 | J/mol×K | 579.01 | Joback Calculated Property |
| Cp,gas | 225.58 | J/mol×K | 617.39 | Joback Calculated Property |
| Cp,gas | 232.93 | J/mol×K | 655.77 | Joback Calculated Property |
| Cp,gas | 239.81 | J/mol×K | 694.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5-trithiahexane 5-oxide.
Sources
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