- InChI
- InChI=1S/C9H18O3S/c1-3-4-5-6-7-13(11,12)8-9(2)10/h3-8H2,1-2H3
- InChI Key
- FIMACEIKKPQUFZ-UHFFFAOYSA-N
- Formula
- C9H18O3S
- SMILES
- CCCCCCS(=O)(=O)CC(C)=O
- Molecular Weight1
- 206.30
- CAS
- 86453-14-7
- 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).
- 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° | -572.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -795.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.01 | kJ/mol | Joback Calculated Property |
| log10WS | -1.70 | Crippen Calculated Property | |
| logPoct/wat | 1.571 | Crippen Calculated Property | |
| McVol | 167.330 | ml/mol | McGowan Calculated Property |
| Pc | 2878.12 | kPa | Joback Calculated Property |
| Tboil | 506.97 | K | Joback Calculated Property |
| Tc | 677.81 | K | Joback Calculated Property |
| Tfus | 279.68 | K | Joback Calculated Property |
| Vc | 0.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.58; 453.32] | J/mol×K | [506.97; 677.81] | 
|
| Cp,gas | 378.58 | J/mol×K | 506.97 | Joback Calculated Property |
| Cp,gas | 392.42 | J/mol×K | 535.44 | Joback Calculated Property |
| Cp,gas | 405.70 | J/mol×K | 563.92 | Joback Calculated Property |
| Cp,gas | 418.43 | J/mol×K | 592.39 | Joback Calculated Property |
| Cp,gas | 430.60 | J/mol×K | 620.86 | Joback Calculated Property |
| Cp,gas | 442.24 | J/mol×K | 649.34 | Joback Calculated Property |
| Cp,gas | 453.32 | J/mol×K | 677.81 | Joback Calculated Property |
Similar Compounds
![2-[Hexylthio]ethanal.](data:image/png;base64,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)
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