- InChI
- InChI=1S/C6H10O2/c1-2-6(8)4-3-5-7/h5H,2-4H2,1H3
- InChI Key
- KKOFYQBBUSZDKJ-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- CCC(=O)CCC=O
- Molecular Weight1
- 114.14
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -228.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.42 | kJ/mol | Joback Calculated Property |
| log10WS | -0.89 | Crippen Calculated Property | |
| logPoct/wat | 0.945 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3642.13 | kPa | Joback Calculated Property |
| Inp | [909.00; 911.00] |
|
|
| Inp | 909.00 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 909.00 | NIST | |
| Tboil | 439.21 | K | Joback Calculated Property |
| Tc | 623.84 | K | Joback Calculated Property |
| Tfus | 249.31 | K | Joback Calculated Property |
| Vc | 0.395 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.46; 244.94] | J/mol×K | [439.21; 623.84] |
|
| Cp,gas | 195.46 | J/mol×K | 439.21 | Joback Calculated Property |
| Cp,gas | 204.66 | J/mol×K | 469.98 | Joback Calculated Property |
| Cp,gas | 213.47 | J/mol×K | 500.75 | Joback Calculated Property |
| Cp,gas | 221.89 | J/mol×K | 531.52 | Joback Calculated Property |
| Cp,gas | 229.94 | J/mol×K | 562.30 | Joback Calculated Property |
| Cp,gas | 237.62 | J/mol×K | 593.07 | Joback Calculated Property |
| Cp,gas | 244.94 | J/mol×K | 623.84 | Joback Calculated Property |
| η | [0.0003892; 0.0038024] | Pa×s | [249.31; 439.21] |
|
| η | 0.0038024 | Pa×s | 249.31 | Joback Calculated Property |
| η | 0.0020998 | Pa×s | 280.96 | Joback Calculated Property |
| η | 0.0013077 | Pa×s | 312.61 | Joback Calculated Property |
| η | 0.0008885 | Pa×s | 344.26 | Joback Calculated Property |
| η | 0.0006442 | Pa×s | 375.91 | Joback Calculated Property |
| η | 0.0004911 | Pa×s | 407.56 | Joback Calculated Property |
| η | 0.0003892 | Pa×s | 439.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-oxohexanal.
Sources
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