- InChI
- InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-2H,3H2
- InChI Key
- NMSLUAZZTFUUFZ-UHFFFAOYSA-N
- Formula
- C4H4OS
- SMILES
- O=C1C=CCS1
- Molecular Weight1
- 100.14
- CAS
- 3354-32-3
- Other Names
-
- 2-Butenoic acid, 4-mercapto-, «gamma»-(thio lactone)
- 2,5-Dihydrothiophenone
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -25.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -79.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 3.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.00 ± 1.20 | kJ/mol | NIST |
| IE | 9.78 ± 0.05 | eV | NIST |
| log10WS | -0.90 | Crippen Calculated Property | |
| logPoct/wat | 0.816 | Crippen Calculated Property | |
| McVol | 69.980 | ml/mol | McGowan Calculated Property |
| Pc | 5704.58 | kPa | Joback Calculated Property |
| Tboil | 425.68 | K | Joback Calculated Property |
| Tc | 669.83 | K | Joback Calculated Property |
| Tfus | 302.41 | K | Joback Calculated Property |
| Vc | 0.240 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.44; 160.37] | J/mol×K | [425.68; 669.83] | 
|
| Cp,gas | 115.44 | J/mol×K | 425.68 | Joback Calculated Property |
| Cp,gas | 124.02 | J/mol×K | 466.37 | Joback Calculated Property |
| Cp,gas | 132.16 | J/mol×K | 507.06 | Joback Calculated Property |
| Cp,gas | 139.87 | J/mol×K | 547.76 | Joback Calculated Property |
| Cp,gas | 147.14 | J/mol×K | 588.45 | Joback Calculated Property |
| Cp,gas | 153.97 | J/mol×K | 629.14 | Joback Calculated Property |
| Cp,gas | 160.37 | J/mol×K | 669.83 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 359.20 | K | 1.30 | NIST |
Similar Compounds
![2-[But-2-enylthio]ethanal.](data:image/png;base64,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)
Find more compounds similar to 2(5H)-Thiophenone.
Sources
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