- InChI
- InChI=1S/C6H12OS/c1-2-3-6(8)4-5-7/h5-6,8H,2-4H2,1H3
- InChI Key
- MMODARXIJRCRGL-UHFFFAOYSA-N
- Formula
- C6H12OS
- SMILES
- CCCC(S)CC=O
- Molecular Weight1
- 132.22
- 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° | -72.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.02 | kJ/mol | Joback Calculated Property |
| log10WS | -1.80 | Crippen Calculated Property | |
| logPoct/wat | 1.674 | Crippen Calculated Property | |
| McVol | 113.320 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Inp | 1013.00 | NIST | |
| I | 1544.00 | NIST | |
| Tboil | 447.76 | K | Joback Calculated Property |
| Tc | 647.73 | K | Joback Calculated Property |
| Tfus | 220.84 | K | Joback Calculated Property |
| Vc | 0.436 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.70; 281.12] | J/mol×K | [447.76; 647.73] | 
|
| Cp,gas | 223.70 | J/mol×K | 447.76 | Joback Calculated Property |
| Cp,gas | 234.50 | J/mol×K | 481.09 | Joback Calculated Property |
| Cp,gas | 244.79 | J/mol×K | 514.42 | Joback Calculated Property |
| Cp,gas | 254.59 | J/mol×K | 547.74 | Joback Calculated Property |
| Cp,gas | 263.90 | J/mol×K | 581.07 | Joback Calculated Property |
| Cp,gas | 272.74 | J/mol×K | 614.40 | Joback Calculated Property |
| Cp,gas | 281.12 | J/mol×K | 647.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Sulfanylhexanal.
Sources
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