- InChI
- InChI=1S/C6H8S/c1-3-5-6-7-4-2/h1,5-6H,4H2,2H3
- InChI Key
- JQPJGIDORMRFQK-UHFFFAOYSA-N
- Formula
- C6H8S
- SMILES
- C#CC=CSCC
- Molecular Weight1
- 112.19
- CAS
- 1609-42-3
- 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 | 0.1559 | Relay (1.0) Calculated Property | |
| ΔfG° | 336.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 249.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.886 | Crippen Calculated Property | |
| McVol | 98.850 | ml/mol | McGowan Calculated Property |
| Pc | 4021.02 | kPa | Joback Calculated Property |
| Tboil | 417.53 | K | Relay (1.0) Calculated Property |
| Tc | 593.72 | K | Relay (1.0) Calculated Property |
| Tfus | 239.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.327 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.84; 213.92] | J/mol×K | [399.74; 613.97] | 
|
| Cp,gas | 165.84 | J/mol×K | 399.74 | Joback Calculated Property |
| Cp,gas | 175.13 | J/mol×K | 435.44 | Joback Calculated Property |
| Cp,gas | 183.87 | J/mol×K | 471.15 | Joback Calculated Property |
| Cp,gas | 192.09 | J/mol×K | 506.85 | Joback Calculated Property |
| Cp,gas | 199.82 | J/mol×K | 542.56 | Joback Calculated Property |
| Cp,gas | 207.09 | J/mol×K | 578.26 | Joback Calculated Property |
| Cp,gas | 213.92 | J/mol×K | 613.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylthio-3-buten-1-yne.
Sources
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