- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4450 | Relay (1.0) Calculated Property | |
| ΔfG° | -228.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -380.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.08 | Relay (1.0) 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 | 443.93 | K | Relay (1.0) Calculated Property |
| Tc | 633.11 | K | Relay (1.0) Calculated Property |
| Tfus | 294.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.363 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.60; 308.67] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.61930e+01 | |||
| Coefficient B | 5.20320e-01 | |||
| Coefficient C | -2.76900e-04 | |||
| Coefficient D | 4.90600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 194.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 217.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 238.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 256.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 272.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 286.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 298.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 308.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038024; 0.0003955] | Pa×s | [249.31; 436.89] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08435e+01 | |||
| Coefficient B | 1.31422e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 249.31 | |||
| Temperature range, max. | 436.89 | |||
| η | 0.0038024 | Pa×s | 249.31 | Calculated Property |
| η | 0.0025319 | Pa×s | 270.15 | Calculated Property |
| η | 0.0017870 | Pa×s | 290.99 | Calculated Property |
| η | 0.0013214 | Pa×s | 311.84 | Calculated Property |
| η | 0.0010148 | Pa×s | 332.68 | Calculated Property |
| η | 0.0008039 | Pa×s | 353.52 | Calculated Property |
| η | 0.0006536 | Pa×s | 374.36 | Calculated Property |
| η | 0.0005432 | Pa×s | 395.20 | Calculated Property |
| η | 0.0004598 | Pa×s | 416.04 | Calculated Property |
| η | 0.0003955 | Pa×s | 436.89 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-oxohexanal.
Sources
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