- InChI
- InChI=1S/C4H10S3/c1-4(2)6-7-5-3/h4H,1-3H3
- InChI Key
- ZUJLLBXDHHTMEV-UHFFFAOYSA-N
- Formula
- C4H10S3
- SMILES
- CSSSC(C)C
- Molecular Weight1
- 154.32
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.2677 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -49.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.054 | Crippen Calculated Property | |
| McVol | 116.270 | ml/mol | McGowan Calculated Property |
| Pc | 4200.18 | kPa | Joback Calculated Property |
| Inp | 1126.00 | NIST | |
| Tboil | 476.80 | K | Relay (1.0) Calculated Property |
| Tc | 705.58 | K | Relay (1.0) Calculated Property |
| Tfus | 224.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.409 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.04; 272.55] | J/mol×K | [496.82; 745.77] | 
|
| Cp,gas | 217.04 | J/mol×K | 496.82 | Joback Calculated Property |
| Cp,gas | 227.67 | J/mol×K | 538.31 | Joback Calculated Property |
| Cp,gas | 237.77 | J/mol×K | 579.80 | Joback Calculated Property |
| Cp,gas | 247.33 | J/mol×K | 621.29 | Joback Calculated Property |
| Cp,gas | 256.33 | J/mol×K | 662.79 | Joback Calculated Property |
| Cp,gas | 264.74 | J/mol×K | 704.28 | Joback Calculated Property |
| Cp,gas | 272.55 | J/mol×K | 745.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-3,4,5-trithiahexane.
Sources
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