- InChI
- InChI=1S/C5H6S/c1-3-4-5-6-2/h3H,1H2,2H3
- InChI Key
- HIWIEVWZTYIZRX-UHFFFAOYSA-N
- Formula
- C5H6S
- SMILES
- C=CC#CSC
- Molecular Weight1
- 98.17
- CAS
- 13030-50-7
- 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° | 314.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 293.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.02 | kJ/mol | Joback Calculated Property |
| log10WS | -1.94 | Crippen Calculated Property | |
| logPoct/wat | 1.496 | Crippen Calculated Property | |
| McVol | 84.760 | ml/mol | McGowan Calculated Property |
| Pc | 4571.55 | kPa | Joback Calculated Property |
| Tboil | 388.26 | K | Joback Calculated Property |
| Tc | 613.01 | K | Joback Calculated Property |
| Tfus | 284.85 | K | Joback Calculated Property |
| Vc | 0.312 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.39; 170.29] | J/mol×K | [388.26; 613.01] | 
|
| Cp,gas | 130.39 | J/mol×K | 388.26 | Joback Calculated Property |
| Cp,gas | 137.85 | J/mol×K | 425.72 | Joback Calculated Property |
| Cp,gas | 144.97 | J/mol×K | 463.18 | Joback Calculated Property |
| Cp,gas | 151.77 | J/mol×K | 500.64 | Joback Calculated Property |
| Cp,gas | 158.26 | J/mol×K | 538.09 | Joback Calculated Property |
| Cp,gas | 164.43 | J/mol×K | 575.55 | Joback Calculated Property |
| Cp,gas | 170.29 | J/mol×K | 613.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methylthio-3-buten-1-yne.
Sources
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