- InChI
- InChI=1S/C5H6S/c1-3-4-5-6-2/h1,4-5H,2H3/b5-4+
- InChI Key
- NKMNGGDPEPZMPK-SNAWJCMRSA-N
- Formula
- C5H6S
- SMILES
- C#CC=CSC
- Molecular Weight1
- 98.17
- CAS
- 3448-56-4
- 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 | 0.1560 | Relay (1.0) Calculated Property | |
| ΔfG° | 327.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 288.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.496 | Crippen Calculated Property | |
| McVol | 84.760 | ml/mol | McGowan Calculated Property |
| Pc | 4559.21 | kPa | Joback Calculated Property |
| Tboil | 406.06 | K | Relay (1.0) Calculated Property |
| Tc | 583.33 | K | Relay (1.0) Calculated Property |
| Tfus | 264.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.280 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.79; 171.21] | J/mol×K | [376.86; 593.17] | 
|
| Cp,gas | 131.79 | J/mol×K | 376.86 | Joback Calculated Property |
| Cp,gas | 139.45 | J/mol×K | 412.91 | Joback Calculated Property |
| Cp,gas | 146.65 | J/mol×K | 448.96 | Joback Calculated Property |
| Cp,gas | 153.39 | J/mol×K | 485.02 | Joback Calculated Property |
| Cp,gas | 159.72 | J/mol×K | 521.07 | Joback Calculated Property |
| Cp,gas | 165.65 | J/mol×K | 557.12 | Joback Calculated Property |
| Cp,gas | 171.21 | J/mol×K | 593.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylthio-3-buten-1-yne.
Sources
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