- InChI
- InChI=1S/C8H18S2/c1-3-10-8-6-4-5-7-9-2/h3-8H2,1-2H3
- InChI Key
- FXZWJKUDCAHVJI-UHFFFAOYSA-N
- Formula
- C8H18S2
- SMILES
- CCSCCCCCSC
- Molecular Weight1
- 178.36
- 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 | 0.4213 | Relay (1.0) Calculated Property | |
| ΔfG° | 82.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -154.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.273 | Crippen Calculated Property | |
| McVol | 156.280 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Inp | [1440.00; 1440.00] |
|
|
| Inp | 1440.00 | NIST | |
| Inp | 1440.00 | NIST | |
| Tboil | 517.80 | K | Relay (1.0) Calculated Property |
| Tc | 709.35 | K | Relay (1.0) Calculated Property |
| Tfus | 245.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.562 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.73; 417.78] | J/mol×K | [520.00; 726.00] |
|
| Cp,gas | 340.73 | J/mol×K | 520.00 | Joback Calculated Property |
| Cp,gas | 355.21 | J/mol×K | 554.33 | Joback Calculated Property |
| Cp,gas | 369.03 | J/mol×K | 588.67 | Joback Calculated Property |
| Cp,gas | 382.19 | J/mol×K | 623.00 | Joback Calculated Property |
| Cp,gas | 394.70 | J/mol×K | 657.33 | Joback Calculated Property |
| Cp,gas | 406.56 | J/mol×K | 691.67 | Joback Calculated Property |
| Cp,gas | 417.78 | J/mol×K | 726.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,9-Dithiadecane.
Sources
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