- InChI
- InChI=1S/C3H8S2/c1-3(4)5-2/h3-4H,1-2H3
- InChI Key
- GHIADNFHCKUPJL-UHFFFAOYSA-N
- Formula
- C3H8S2
- SMILES
- CSC(C)S
- Molecular Weight1
- 108.23
- Other Names
-
- 3-Thia-2-butanethiol
- 1-Ethanethiol, 1-(methylthio)
- Ethanethiol, 1-methylthio
- 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).
- Inp : Non-polar retention indices.
- 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° | 34.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -30.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.44 | kJ/mol | Joback Calculated Property |
| log10WS | -1.64 | Crippen Calculated Property | |
| logPoct/wat | 1.625 | Crippen Calculated Property | |
| McVol | 85.830 | ml/mol | McGowan Calculated Property |
| Pc | 4980.35 | kPa | Joback Calculated Property |
| Inp | [822.00; 861.00] |
|
|
| Inp | 861.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 861.00 | NIST | |
| Tboil | 399.24 | K | Joback Calculated Property |
| Tc | 625.81 | K | Joback Calculated Property |
| Tfus | 179.43 | K | Joback Calculated Property |
| Vc | 0.305 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.54; 182.61] | J/mol×K | [399.24; 625.81] |
|
| Cp,gas | 139.54 | J/mol×K | 399.24 | Joback Calculated Property |
| Cp,gas | 147.58 | J/mol×K | 437.00 | Joback Calculated Property |
| Cp,gas | 155.28 | J/mol×K | 474.76 | Joback Calculated Property |
| Cp,gas | 162.63 | J/mol×K | 512.52 | Joback Calculated Property |
| Cp,gas | 169.64 | J/mol×K | 550.28 | Joback Calculated Property |
| Cp,gas | 176.30 | J/mol×K | 588.04 | Joback Calculated Property |
| Cp,gas | 182.61 | J/mol×K | 625.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(methylthio)ethanethiol.
Sources
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