- InChI
- InChI=1S/C6H14S2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
- InChI Key
- CIYDRAJJTMIKGP-UHFFFAOYSA-N
- Formula
- C6H14S2
- SMILES
- CCSC(C)SCC
- Molecular Weight1
- 150.31
- Other Names
-
- 1,1-Bis(ethylsulfanyl)ethane
- 1,1-bis(Ethylthio)ethane
- 4-Methyl-3,5-dithiaheptane
- Acetaldehyde, diethyl mercaptal
- Formaldehyde diethylthioacetal
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -103.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.839 | Crippen Calculated Property | |
| McVol | 128.100 | ml/mol | McGowan Calculated Property |
| Inp | [1087.00; 1087.00] |
|
|
| Inp | 1087.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Tboil | 459.00 ± 1.00 | K | NIST |
| Tfus | 196.53 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 347.00 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.46; 382.59] | 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 | 3.49520e+01 | |||
| Coefficient B | 5.68540e-01 | |||
| Coefficient C | -2.25400e-04 | |||
| Coefficient D | 4.50000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 208.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 268.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 294.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 317.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 338.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 355.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 370.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 382.59 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
![Ethane, 1,1'-[methylenebis(thio)]bis-.](data:image/png;base64,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)
Find more compounds similar to Ethane, 1,1-bis(ethylthio)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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