- InChI
- InChI=1S/C7H14S3/c1-4-6-9-7(5-2)10-8-3/h4,6-7H,5H2,1-3H3/b6-4+
- InChI Key
- MLJHEPZOIZWECP-GQCTYLIASA-N
- Formula
- C7H14S3
- SMILES
- CC=CSC(CC)SSC
- Molecular Weight1
- 194.38
- CAS
- 126876-23-1
- 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° | 185.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 49.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | 4.001 | Crippen Calculated Property | |
| McVol | 154.240 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Inp | [1390.60; 1436.50] |
|
|
| Inp | 1390.60 | NIST | |
| Inp | 1390.60 | NIST | |
| Inp | 1407.00 | NIST | |
| Inp | 1407.00 | NIST | |
| Inp | 1436.50 | NIST | |
| Inp | 1436.50 | NIST | |
| Tboil | 569.62 | K | Joback Calculated Property |
| Tc | 815.04 | K | Joback Calculated Property |
| Tfus | 251.77 | K | Joback Calculated Property |
| Vc | 0.564 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.38; 396.77] | J/mol×K | [569.62; 815.04] |
|
| Cp,gas | 327.38 | J/mol×K | 569.62 | Joback Calculated Property |
| Cp,gas | 341.05 | J/mol×K | 610.52 | Joback Calculated Property |
| Cp,gas | 353.85 | J/mol×K | 651.43 | Joback Calculated Property |
| Cp,gas | 365.81 | J/mol×K | 692.33 | Joback Calculated Property |
| Cp,gas | 376.94 | J/mol×K | 733.24 | Joback Calculated Property |
| Cp,gas | 387.26 | J/mol×K | 774.14 | Joback Calculated Property |
| Cp,gas | 396.77 | J/mol×K | 815.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethyl-2,3,5-trithia-6-octene.
Sources
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