- InChI
- InChI=1S/C6H8OS/c1-5-2-3-6(4-7)8-5/h2-6H,1H3
- InChI Key
- SPJZOMMRMMVLLO-UHFFFAOYSA-N
- Formula
- C6H8OS
- SMILES
- CC1C=CC(C=O)S1
- Molecular Weight1
- 128.19
- 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.
- 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° | -1.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.72 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.245 | Crippen Calculated Property | |
| McVol | 98.160 | ml/mol | McGowan Calculated Property |
| Pc | 4200.18 | kPa | Joback Calculated Property |
| Inp | [1100.00; 1100.00] |
|
|
| Inp | 1100.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Tboil | 442.94 | K | Joback Calculated Property |
| Tc | 664.66 | K | Joback Calculated Property |
| Tfus | 290.25 | K | Joback Calculated Property |
| Vc | 0.360 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.80; 249.77] | J/mol×K | [442.94; 664.66] |
|
| Cp,gas | 188.80 | J/mol×K | 442.94 | Joback Calculated Property |
| Cp,gas | 200.62 | J/mol×K | 479.89 | Joback Calculated Property |
| Cp,gas | 211.75 | J/mol×K | 516.85 | Joback Calculated Property |
| Cp,gas | 222.20 | J/mol×K | 553.80 | Joback Calculated Property |
| Cp,gas | 232.00 | J/mol×K | 590.75 | Joback Calculated Property |
| Cp,gas | 241.19 | J/mol×K | 627.71 | Joback Calculated Property |
| Cp,gas | 249.77 | J/mol×K | 664.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Formyl-5-methyl-2,5-dihydrothiophene.
Sources
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