- InChI
- InChI=1S/C7H16S4/c1-4-6-9-11-7(5-2)10-8-3/h7H,4-6H2,1-3H3
- InChI Key
- HBUSMEMTOQGBMV-UHFFFAOYSA-N
- Formula
- C7H16S4
- SMILES
- CCCSSC(CC)SSC
- Molecular Weight1
- 228.46
- CAS
- 126876-30-0
- 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 | 0.3608 | Relay (1.0) Calculated Property | |
| ΔfG° | 138.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.525 | Crippen Calculated Property | |
| McVol | 174.890 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Inp | [1616.00; 1685.00] |
|
|
| Inp | 1685.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1646.50 | NIST | |
| Inp | 1646.50 | NIST | |
| Inp | 1685.00 | NIST | |
| Tboil | 554.71 | K | Relay (1.0) Calculated Property |
| Tc | 759.22 | K | Relay (1.0) Calculated Property |
| Tfus | 213.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.582 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.86; 467.97] | J/mol×K | [634.24; 887.39] |
|
| Cp,gas | 396.86 | J/mol×K | 634.24 | Joback Calculated Property |
| Cp,gas | 411.25 | J/mol×K | 676.43 | Joback Calculated Property |
| Cp,gas | 424.64 | J/mol×K | 718.62 | Joback Calculated Property |
| Cp,gas | 437.03 | J/mol×K | 760.81 | Joback Calculated Property |
| Cp,gas | 448.39 | J/mol×K | 803.01 | Joback Calculated Property |
| Cp,gas | 458.71 | J/mol×K | 845.20 | Joback Calculated Property |
| Cp,gas | 467.97 | J/mol×K | 887.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,5,7,8-Tetrathianonane, 6-ethyl.
Sources
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