- 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
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2711 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -42.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) 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 | 861.00 | NIST | |
| Inp | 826.00 | NIST | |
| Tboil | 398.87 | K | Relay (1.0) Calculated Property |
| Tc | 634.34 | K | Relay (1.0) Calculated Property |
| Tfus | 176.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.299 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.58; 182.66] | J/mol×K | [399.44; 626.12] |
|
| Cp,gas | 139.58 | J/mol×K | 399.44 | Joback Calculated Property |
| Cp,gas | 147.63 | J/mol×K | 437.22 | Joback Calculated Property |
| Cp,gas | 155.33 | J/mol×K | 475.00 | Joback Calculated Property |
| Cp,gas | 162.68 | J/mol×K | 512.78 | Joback Calculated Property |
| Cp,gas | 169.69 | J/mol×K | 550.56 | Joback Calculated Property |
| Cp,gas | 176.35 | J/mol×K | 588.34 | Joback Calculated Property |
| Cp,gas | 182.66 | J/mol×K | 626.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(methylthio)ethanethiol.
Sources
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