- InChI
- InChI=1S/C16H30O2S/c1-4-6-8-10-12-16(19-14(3)18)15(13-17)11-9-7-5-2/h13,15-16H,4-12H2,1-3H3
- InChI Key
- SUJPNFCSTIZIQF-UHFFFAOYSA-N
- Formula
- C16H30O2S
- SMILES
- CCCCCCC(SC(C)=O)C(C=O)CCCCC
- Molecular Weight1
- 286.47
- 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° | -116.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.72 | kJ/mol | Joback Calculated Property |
| log10WS | -5.33 | Crippen Calculated Property | |
| logPoct/wat | 5.001 | Crippen Calculated Property | |
| McVol | 255.790 | ml/mol | McGowan Calculated Property |
| Pc | 1497.67 | kPa | Joback Calculated Property |
| Inp | [1909.00; 1917.00] |
|
|
| Inp | 1917.00 | NIST | |
| Inp | 1909.00 | NIST | |
| Inp | 1917.00 | NIST | |
| I | [2436.00; 2449.00] |
|
|
| I | 2449.00 | NIST | |
| I | 2436.00 | NIST | |
| I | 2449.00 | NIST | |
| Tboil | 735.91 | K | Joback Calculated Property |
| Tc | 926.31 | K | Joback Calculated Property |
| Tfus | 366.41 | K | Joback Calculated Property |
| Vc | 0.997 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [739.26; 826.56] | J/mol×K | [735.91; 926.31] |
|
| Cp,gas | 739.26 | J/mol×K | 735.91 | Joback Calculated Property |
| Cp,gas | 756.07 | J/mol×K | 767.64 | Joback Calculated Property |
| Cp,gas | 771.94 | J/mol×K | 799.38 | Joback Calculated Property |
| Cp,gas | 786.89 | J/mol×K | 831.11 | Joback Calculated Property |
| Cp,gas | 800.96 | J/mol×K | 862.84 | Joback Calculated Property |
| Cp,gas | 814.17 | J/mol×K | 894.57 | Joback Calculated Property |
| Cp,gas | 826.56 | J/mol×K | 926.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Acetylthio)-2-pentylnonanal.
Sources
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