- InChI
- InChI=1S/C9H20S2/c1-7(2)10-9(5,6)11-8(3)4/h7-8H,1-6H3
- InChI Key
- XDSAVWGEUYYYGM-UHFFFAOYSA-N
- Formula
- C9H20S2
- SMILES
- CC(C)SC(C)(C)SC(C)C
- Molecular Weight1
- 192.38
- 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 | 0.3280 | Relay (... Calculated Property | |
| ΔfG° | 89.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.11 | kJ/mol | Relay (... Calculated Property |
| IE | 8.09 | eV | Relay (... Calculated Property |
| log10WS | -3.99 | Relay (... Calculated Property | |
| logPoct/wat | 4.006 | Crippen Calculated Property | |
| McVol | 170.370 | ml/mol | McGowan Calculated Property |
| Pc | 2467.81 | kPa | Joback Calculated Property |
| Inp | 1191.00 | NIST | |
| Tboil | 468.86 | K | Relay (... Calculated Property |
| Tc | 661.33 | K | Relay (... Calculated Property |
| Tfus | 257.64 | K | Relay (... Calculated Property |
| Vc | 0.598 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.78; 479.76] | J/mol×K | [538.77; 764.38] | 
|
| Cp,gas | 390.78 | J/mol×K | 538.77 | Joback Calculated Property |
| Cp,gas | 408.11 | J/mol×K | 576.37 | Joback Calculated Property |
| Cp,gas | 424.39 | J/mol×K | 613.97 | Joback Calculated Property |
| Cp,gas | 439.66 | J/mol×K | 651.57 | Joback Calculated Property |
| Cp,gas | 453.96 | J/mol×K | 689.17 | Joback Calculated Property |
| Cp,gas | 467.31 | J/mol×K | 726.78 | Joback Calculated Property |
| Cp,gas | 479.76 | J/mol×K | 764.38 | Joback Calculated Property |
Similar Compounds
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)
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Sources
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