- InChI
- InChI=1S/C8H14O4S/c1-7(9)11-3-5-13-6-4-12-8(2)10/h3-6H2,1-2H3
- InChI Key
- HWLINJPYLXLANY-UHFFFAOYSA-N
- Formula
- C8H14O4S
- SMILES
- CC(=O)OCCSCCOC(C)=O
- Molecular Weight1
- 206.26
- Other Names
-
- Acetic acid, thiodiethylene ester
- Ethanol, 2,2'-thiodi-, diacetate
- 2,2'-Thiodiethanol diacetate
- Bis(«beta»-thioethyl acetate)
- 2,2'-thiodiethyl diacetate
- 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 | 0.6069 | Relay (1.0) Calculated Property | |
| ΔfG° | -571.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -793.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.846 | Crippen Calculated Property | |
| McVol | 154.810 | ml/mol | McGowan Calculated Property |
| Pc | 2605.74 | kPa | Joback Calculated Property |
| Tboil | 543.69 | K | Relay (1.0) Calculated Property |
| Tc | 712.09 | K | Relay (1.0) Calculated Property |
| Tfus | 251.10 ± 0.60 | K | NIST |
| Vc | 0.570 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.37; 474.86] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.60340e+01 | |||
| Coefficient B | 6.48630e-01 | |||
| Coefficient C | -1.82000e-04 | |||
| Coefficient D | -5.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 228.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 308.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 344.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 375.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 403.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 427.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 447.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 463.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 474.86 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanol, 2,2'-thiobis-, diacetate.
Sources
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