- InChI
- InChI=1S/C8H16O6S2/c9-15(10)5-1-13-2-6-16(11,12)8-4-14-3-7-15/h1-8H2
- InChI Key
- OPRRNWDOIKQGOP-UHFFFAOYSA-N
- Formula
- C8H16O6S2
- SMILES
- O=S1(=O)CCOCCS(=O)(=O)CCOCC1
- Molecular Weight1
- 272.34
- CAS
- 98561-09-2
- 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° | -1119.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1334.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.45 | kJ/mol | Joback Calculated Property |
| log10WS | 1.09 | Crippen Calculated Property | |
| logPoct/wat | -1.137 | Crippen Calculated Property | |
| McVol | 180.640 | ml/mol | McGowan Calculated Property |
| Pc | 5470.75 | kPa | Joback Calculated Property |
| Tboil | 539.84 | K | Joback Calculated Property |
| Tc | 756.94 | K | Joback Calculated Property |
| Tfus | 398.78 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.27; 536.04] | J/mol×K | [539.84; 756.94] | 
|
| Cp,gas | 428.27 | J/mol×K | 539.84 | Joback Calculated Property |
| Cp,gas | 449.30 | J/mol×K | 576.02 | Joback Calculated Property |
| Cp,gas | 469.16 | J/mol×K | 612.21 | Joback Calculated Property |
| Cp,gas | 487.79 | J/mol×K | 648.39 | Joback Calculated Property |
| Cp,gas | 505.17 | J/mol×K | 684.57 | Joback Calculated Property |
| Cp,gas | 521.27 | J/mol×K | 720.76 | Joback Calculated Property |
| Cp,gas | 536.04 | J/mol×K | 756.94 | Joback Calculated Property |
Similar Compounds
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Sources
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