- 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
- 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).
- 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 | 0.5602 | Relay (... Calculated Property | |
| ΔfG° | -1119.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1055.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.49 | kJ/mol | Relay (... Calculated Property |
| IE | 9.59 | eV | Relay (... Calculated Property |
| log10WS | 0.15 | Relay (... 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 | 712.61 | K | Relay (... Calculated Property |
| Tc | 946.40 | K | Relay (... Calculated Property |
| Tfus | 438.28 | K | Relay (... Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (... 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
![Ethane, 1-chloro-2-[(2-ethoxyethyl)thio]-.](data:image/png;base64,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)
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Sources
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