- InChI
- InChI=1S/C3H6OS/c1-3(4)2-5/h5H,2H2,1H3
- InChI Key
- USVCRBGYQRVTNK-UHFFFAOYSA-N
- Formula
- C3H6OS
- SMILES
- CC(=O)CS
- Molecular Weight1
- 90.14
- CAS
- 24653-75-6
- Other Names
-
- 1-Sulfanylacetone
- 1-Mercapto-2-propanone
- Mercapto-2-propanone
- 2-Propanone, 1-mercapto-
- 3-Mercapto-2-propanone
- mercaptopropanone
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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° | -125.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -179.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.75 | kJ/mol | Joback Calculated Property |
| log10WS | -0.43 | Crippen Calculated Property | |
| logPoct/wat | 0.505 | Crippen Calculated Property | |
| McVol | 71.050 | ml/mol | McGowan Calculated Property |
| Pc | 5258.62 | kPa | Joback Calculated Property |
| Inp | [739.00; 743.00] |
|
|
| Inp | 743.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 739.00 | NIST | |
| I | [1351.00; 1359.00] |
|
|
| I | 1357.00 | NIST | |
| I | 1357.00 | NIST | |
| I | 1351.00 | NIST | |
| I | 1359.00 | NIST | |
| I | 1354.00 | NIST | |
| Tboil | 384.77 | K | Joback Calculated Property |
| Tc | 591.94 | K | Joback Calculated Property |
| Tfus | 209.96 | K | Joback Calculated Property |
| Vc | 0.264 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [113.28; 147.19] | J/mol×K | [384.77; 591.94] |
|
| Cp,gas | 113.28 | J/mol×K | 384.77 | Joback Calculated Property |
| Cp,gas | 119.61 | J/mol×K | 419.30 | Joback Calculated Property |
| Cp,gas | 125.66 | J/mol×K | 453.83 | Joback Calculated Property |
| Cp,gas | 131.44 | J/mol×K | 488.35 | Joback Calculated Property |
| Cp,gas | 136.95 | J/mol×K | 522.88 | Joback Calculated Property |
| Cp,gas | 142.20 | J/mol×K | 557.41 | Joback Calculated Property |
| Cp,gas | 147.19 | J/mol×K | 591.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Mercaptoacetone.
Sources
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