- InChI
- InChI=1S/C8H16OS/c1-3-4-5-8(10-2)6-7-9/h7-8H,3-6H2,1-2H3
- InChI Key
- RQOSXGWCILNIKB-UHFFFAOYSA-N
- Formula
- C8H16OS
- SMILES
- CCCCC(CC=O)SC
- Molecular Weight1
- 160.28
- 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° | -52.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -257.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.55 | kJ/mol | Joback Calculated Property |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 2.497 | Crippen Calculated Property | |
| McVol | 141.500 | ml/mol | McGowan Calculated Property |
| Pc | 2808.38 | kPa | Joback Calculated Property |
| Inp | 1118.00 | NIST | |
| I | [1659.00; 1659.00] |
|
|
| I | 1659.00 | NIST | |
| I | 1659.00 | NIST | |
| Tboil | 499.44 | K | Joback Calculated Property |
| Tc | 694.49 | K | Joback Calculated Property |
| Tfus | 241.32 | K | Joback Calculated Property |
| Vc | 0.548 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.89; 378.72] | J/mol×K | [499.44; 694.49] |
|
| Cp,gas | 308.89 | J/mol×K | 499.44 | Joback Calculated Property |
| Cp,gas | 321.98 | J/mol×K | 531.95 | Joback Calculated Property |
| Cp,gas | 334.48 | J/mol×K | 564.46 | Joback Calculated Property |
| Cp,gas | 346.39 | J/mol×K | 596.96 | Joback Calculated Property |
| Cp,gas | 357.72 | J/mol×K | 629.47 | Joback Calculated Property |
| Cp,gas | 368.50 | J/mol×K | 661.98 | Joback Calculated Property |
| Cp,gas | 378.72 | J/mol×K | 694.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-sulfanylheptanal.
Sources
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