- InChI
- InChI=1S/C7H14S2/c1-4-6-9-7(3)8-5-2/h4,7H,1,5-6H2,2-3H3
- InChI Key
- WVOPPLMBKYMZSE-UHFFFAOYSA-N
- Formula
- C7H14S2
- SMILES
- C=CCSC(C)SCC
- Molecular Weight1
- 162.32
- 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 | 0.2381 | Relay (... Calculated Property | |
| ΔfG° | 159.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -27.00 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.94 | kJ/mol | Relay (... Calculated Property |
| IE | 8.31 | eV | Relay (... Calculated Property |
| log10WS | -2.45 | Relay (... Calculated Property | |
| logPoct/wat | 3.005 | Crippen Calculated Property | |
| McVol | 137.890 | ml/mol | McGowan Calculated Property |
| Pc | 3065.95 | kPa | Joback Calculated Property |
| Inp | [1155.00; 1155.00] |
|
|
| Inp | 1155.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Tboil | 467.20 | K | Relay (... Calculated Property |
| Tc | 658.37 | K | Relay (... Calculated Property |
| Tfus | 191.41 | K | Relay (... Calculated Property |
| Vc | 0.452 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.92; 348.01] | J/mol×K | [493.36; 712.09] |
|
| Cp,gas | 278.92 | J/mol×K | 493.36 | Joback Calculated Property |
| Cp,gas | 292.06 | J/mol×K | 529.82 | Joback Calculated Property |
| Cp,gas | 304.53 | J/mol×K | 566.27 | Joback Calculated Property |
| Cp,gas | 316.35 | J/mol×K | 602.73 | Joback Calculated Property |
| Cp,gas | 327.54 | J/mol×K | 639.18 | Joback Calculated Property |
| Cp,gas | 338.08 | J/mol×K | 675.64 | Joback Calculated Property |
| Cp,gas | 348.01 | J/mol×K | 712.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-methyl-3,5-dithia-7-octene.
Sources
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