- InChI
- InChI=1S/C12H22OS2/c1-3-5-8-14-10-7-12(11-13)15-9-6-4-2/h7,11H,3-6,8-10H2,1-2H3/b12-7-
- InChI Key
- KHFNBOJFSNECKE-GHXNOFRVSA-N
- Formula
- C12H22OS2
- SMILES
- CCCCSCC=C(C=O)SCCCC
- Molecular Weight1
- 246.43
- 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).
- I : 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° | 88.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.24 | Crippen Calculated Property | |
| logPoct/wat | 4.136 | Crippen Calculated Property | |
| McVol | 209.910 | ml/mol | McGowan Calculated Property |
| Pc | 2056.76 | kPa | Joback Calculated Property |
| I | [2587.00; 2587.00] |
|
|
| I | 2587.00 | NIST | |
| I | 2587.00 | NIST | |
| Tboil | 664.22 | K | Joback Calculated Property |
| Tc | 872.54 | K | Joback Calculated Property |
| Tfus | 316.76 | K | Joback Calculated Property |
| Vc | 0.814 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.55; 616.23] | J/mol×K | [664.22; 872.54] |
|
| Cp,gas | 536.55 | J/mol×K | 664.22 | Joback Calculated Property |
| Cp,gas | 551.95 | J/mol×K | 698.94 | Joback Calculated Property |
| Cp,gas | 566.46 | J/mol×K | 733.66 | Joback Calculated Property |
| Cp,gas | 580.11 | J/mol×K | 768.38 | Joback Calculated Property |
| Cp,gas | 592.94 | J/mol×K | 803.10 | Joback Calculated Property |
| Cp,gas | 604.97 | J/mol×K | 837.82 | Joback Calculated Property |
| Cp,gas | 616.23 | J/mol×K | 872.54 | Joback Calculated Property |
Similar Compounds
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)
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