- InChI
- InChI=1S/C6H8S/c1-3-5-6-7-4-2/h3H,1,4H2,2H3
- InChI Key
- SICACCNECSLXMB-UHFFFAOYSA-N
- Formula
- C6H8S
- SMILES
- C=CC#CSCC
- Molecular Weight1
- 112.19
- CAS
- 14272-36-7
- 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).
- 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° | 323.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 272.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 1.886 | Crippen Calculated Property | |
| McVol | 98.850 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| Tboil | 411.14 | K | Joback Calculated Property |
| Tc | 633.30 | K | Joback Calculated Property |
| Tfus | 296.12 | K | Joback Calculated Property |
| Vc | 0.368 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.77; 213.81] | J/mol×K | [411.14; 633.30] | 
|
| Cp,gas | 164.77 | J/mol×K | 411.14 | Joback Calculated Property |
| Cp,gas | 173.97 | J/mol×K | 448.17 | Joback Calculated Property |
| Cp,gas | 182.75 | J/mol×K | 485.19 | Joback Calculated Property |
| Cp,gas | 191.11 | J/mol×K | 522.22 | Joback Calculated Property |
| Cp,gas | 199.07 | J/mol×K | 559.25 | Joback Calculated Property |
| Cp,gas | 206.63 | J/mol×K | 596.28 | Joback Calculated Property |
| Cp,gas | 213.81 | J/mol×K | 633.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Ethylthio-3-buten-1-yne.
Sources
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