- InChI
- InChI=1S/C8H14O2S/c1-7(3-5-9)11-8(2)4-6-10/h5-8H,3-4H2,1-2H3
- InChI Key
- HPRLAICEPOYLIX-UHFFFAOYSA-N
- Formula
- C8H14O2S
- SMILES
- CC(CC=O)SC(C)CC=O
- Molecular Weight1
- 174.26
- 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° | -154.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.88 | kJ/mol | Joback Calculated Property |
| log10WS | -1.84 | Crippen Calculated Property | |
| logPoct/wat | 1.675 | Crippen Calculated Property | |
| McVol | 143.070 | ml/mol | McGowan Calculated Property |
| Pc | 3069.34 | kPa | Joback Calculated Property |
| Inp | [1288.00; 1288.00] |
|
|
| Inp | 1288.00 | NIST | |
| Inp | 1288.00 | NIST | |
| Tboil | 547.66 | K | Joback Calculated Property |
| Tc | 751.05 | K | Joback Calculated Property |
| Tfus | 268.32 | K | Joback Calculated Property |
| Vc | 0.559 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.79; 391.27] | J/mol×K | [547.66; 751.05] |
|
| Cp,gas | 327.79 | J/mol×K | 547.66 | Joback Calculated Property |
| Cp,gas | 339.91 | J/mol×K | 581.56 | Joback Calculated Property |
| Cp,gas | 351.39 | J/mol×K | 615.46 | Joback Calculated Property |
| Cp,gas | 362.26 | J/mol×K | 649.36 | Joback Calculated Property |
| Cp,gas | 372.52 | J/mol×K | 683.25 | Joback Calculated Property |
| Cp,gas | 382.19 | J/mol×K | 717.15 | Joback Calculated Property |
| Cp,gas | 391.27 | J/mol×K | 751.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(1-Methyl-3-oxo-propylsulfanyl)-butyraldehyde.
Sources
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