- InChI
- InChI=1S/C5H8OS2/c1-4-5(6)2-3-7-8-4/h4H,2-3H2,1H3
- InChI Key
- HIPRPYCXKYSMOO-UHFFFAOYSA-N
- Formula
- C5H8OS2
- SMILES
- CC1SSCCC1=O
- Molecular Weight1
- 148.25
- Other Names
-
- 1,2-Dithian-4-one, 3-methyl
- 3-methyl-4-oxo-1,2-dithiane
- 1,2-Dithian, 3-methyl-4-oxo
- 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° | -27.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.02 | kJ/mol | Joback Calculated Property |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 1.729 | Crippen Calculated Property | |
| McVol | 104.720 | ml/mol | McGowan Calculated Property |
| Pc | 4627.70 | kPa | Joback Calculated Property |
| Inp | [1162.00; 1241.00] |
|
|
| Inp | 1241.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1232.00 | NIST | |
| Inp | 1232.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1162.00 | NIST | |
| I | [1864.00; 1896.00] |
|
|
| I | 1864.00 | NIST | |
| I | 1896.00 | NIST | |
| I | 1885.00 | NIST | |
| I | 1896.00 | NIST | |
| I | 1885.00 | NIST | |
| I | 1864.00 | NIST | |
| Tboil | 496.83 | K | Joback Calculated Property |
| Tc | 760.16 | K | Joback Calculated Property |
| Tfus | 388.61 | K | Joback Calculated Property |
| Vc | 0.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.21; 276.26] | J/mol×K | [496.83; 760.16] |
|
| Cp,gas | 207.21 | J/mol×K | 496.83 | Joback Calculated Property |
| Cp,gas | 220.54 | J/mol×K | 540.72 | Joback Calculated Property |
| Cp,gas | 233.18 | J/mol×K | 584.61 | Joback Calculated Property |
| Cp,gas | 245.08 | J/mol×K | 628.49 | Joback Calculated Property |
| Cp,gas | 256.25 | J/mol×K | 672.38 | Joback Calculated Property |
| Cp,gas | 266.65 | J/mol×K | 716.27 | Joback Calculated Property |
| Cp,gas | 276.26 | J/mol×K | 760.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl-1,2-dithian-4-one.
Sources
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