- InChI
- InChI=1S/C8H14OS/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
- InChI Key
- LYTJSDADPFIGCT-UHFFFAOYSA-N
- Formula
- C8H14OS
- SMILES
- CCCCC1CCC(=O)S1
- Molecular Weight1
- 158.26
- CAS
- 104223-43-0
- 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° | -29.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.72 | kJ/mol | Joback Calculated Property |
| log10WS | -2.84 | Crippen Calculated Property | |
| logPoct/wat | 2.599 | Crippen Calculated Property | |
| McVol | 130.640 | ml/mol | McGowan Calculated Property |
| Pc | 3166.83 | kPa | Joback Calculated Property |
| Inp | [1312.00; 1312.00] |
|
|
| Inp | 1312.00 | NIST | |
| Inp | 1312.00 | NIST | |
| I | 1909.00 | NIST | |
| Tboil | 513.37 | K | Joback Calculated Property |
| Tc | 738.80 | K | Joback Calculated Property |
| Tfus | 342.49 | K | Joback Calculated Property |
| Vc | 0.477 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.10; 377.97] | J/mol×K | [513.37; 738.80] |
|
| Cp,gas | 294.10 | J/mol×K | 513.37 | Joback Calculated Property |
| Cp,gas | 310.05 | J/mol×K | 550.94 | Joback Calculated Property |
| Cp,gas | 325.20 | J/mol×K | 588.51 | Joback Calculated Property |
| Cp,gas | 339.56 | J/mol×K | 626.09 | Joback Calculated Property |
| Cp,gas | 353.14 | J/mol×K | 663.66 | Joback Calculated Property |
| Cp,gas | 365.94 | J/mol×K | 701.23 | Joback Calculated Property |
| Cp,gas | 377.97 | J/mol×K | 738.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Butyldihydro-2(3H)thiophenone.
Sources
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