- InChI
- InChI=1S/C5H10OS/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3
- InChI Key
- DLKSIGNUTFOJIC-UHFFFAOYSA-N
- Formula
- C5H10OS
- SMILES
- CCC(S)CC=O
- Molecular Weight1
- 118.20
- 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° | -81.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -198.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.79 | kJ/mol | Joback Calculated Property |
| log10WS | -1.38 | Crippen Calculated Property | |
| logPoct/wat | 1.284 | Crippen Calculated Property | |
| McVol | 99.230 | ml/mol | McGowan Calculated Property |
| Pc | 4151.61 | kPa | Joback Calculated Property |
| Inp | [907.00; 907.00] |
|
|
| Inp | 907.00 | NIST | |
| Inp | 907.00 | NIST | |
| I | [1454.00; 1454.00] |
|
|
| I | 1454.00 | NIST | |
| I | 1454.00 | NIST | |
| Tboil | 424.88 | K | Joback Calculated Property |
| Tc | 627.10 | K | Joback Calculated Property |
| Tfus | 209.57 | K | Joback Calculated Property |
| Vc | 0.381 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.44; 235.78] | J/mol×K | [424.88; 627.10] |
|
| Cp,gas | 185.44 | J/mol×K | 424.88 | Joback Calculated Property |
| Cp,gas | 194.90 | J/mol×K | 458.58 | Joback Calculated Property |
| Cp,gas | 203.92 | J/mol×K | 492.29 | Joback Calculated Property |
| Cp,gas | 212.51 | J/mol×K | 525.99 | Joback Calculated Property |
| Cp,gas | 220.67 | J/mol×K | 559.70 | Joback Calculated Property |
| Cp,gas | 228.43 | J/mol×K | 593.40 | Joback Calculated Property |
| Cp,gas | 235.78 | J/mol×K | 627.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Sulfanylpentanal.
Sources
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