- InChI
- InChI=1S/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3
- InChI Key
- HFVLNCDRAMUMCC-UHFFFAOYSA-N
- Formula
- C5H10OS
- SMILES
- CSC(C)C(C)=O
- Molecular Weight1
- 118.20
- CAS
- 53475-15-3
- Other Names
-
- 2-Butanone, 3-(methylthio)-
- dl-3-(Methylthio)-2-butanone
- DL-3-(methylthio)butanone
- 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).
- 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° | -107.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.90 | kJ/mol | Joback Calculated Property |
| log10WS | -1.19 | Crippen Calculated Property | |
| logPoct/wat | 1.327 | Crippen Calculated Property | |
| McVol | 99.230 | ml/mol | McGowan Calculated Property |
| Pc | 3857.88 | kPa | Joback Calculated Property |
| Tboil | 436.01 | K | Joback Calculated Property |
| Tc | 644.03 | K | Joback Calculated Property |
| Tfus | 215.44 | K | Joback Calculated Property |
| Vc | 0.369 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.66; 237.31] | J/mol×K | [436.01; 644.03] | 
|
| Cp,gas | 184.66 | J/mol×K | 436.01 | Joback Calculated Property |
| Cp,gas | 194.48 | J/mol×K | 470.68 | Joback Calculated Property |
| Cp,gas | 203.89 | J/mol×K | 505.35 | Joback Calculated Property |
| Cp,gas | 212.87 | J/mol×K | 540.02 | Joback Calculated Property |
| Cp,gas | 221.43 | J/mol×K | 574.69 | Joback Calculated Property |
| Cp,gas | 229.58 | J/mol×K | 609.36 | Joback Calculated Property |
| Cp,gas | 237.31 | J/mol×K | 644.03 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 325.20 | K | 2.70 | NIST |
Similar Compounds
![2-[(1-methyl-2-oxopropyl)-thio]-3-pentanone.](data:image/png;base64,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)
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