- InChI
- InChI=1S/C8H12O2/c1-2-3-5-8(10)6-4-7-9/h4,6-7H,2-3,5H2,1H3/b6-4+
- InChI Key
- KKCMFNUPOSVKRS-GQCTYLIASA-N
- Formula
- C8H12O2
- SMILES
- CCCCC(=O)C=CC=O
- Molecular Weight1
- 140.18
- CAS
- 2497-14-5
- Other Names
-
- (E)-4-Oxo-2-octenal
- 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).
- 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 | 0.5003 | Relay (1.0) Calculated Property | |
| ΔfG° | -131.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.501 | Crippen Calculated Property | |
| McVol | 122.420 | ml/mol | McGowan Calculated Property |
| Pc | 3096.73 | kPa | Joback Calculated Property |
| Tboil | 463.97 | K | Relay (1.0) Calculated Property |
| Tc | 670.02 | K | Relay (1.0) Calculated Property |
| Tfus | 262.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.446 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.23; 317.26] | J/mol×K | [489.33; 678.96] | 
|
| Cp,gas | 259.23 | J/mol×K | 489.33 | Joback Calculated Property |
| Cp,gas | 270.23 | J/mol×K | 520.93 | Joback Calculated Property |
| Cp,gas | 280.67 | J/mol×K | 552.54 | Joback Calculated Property |
| Cp,gas | 290.57 | J/mol×K | 584.14 | Joback Calculated Property |
| Cp,gas | 299.95 | J/mol×K | 615.75 | Joback Calculated Property |
| Cp,gas | 308.84 | J/mol×K | 647.35 | Joback Calculated Property |
| Cp,gas | 317.26 | J/mol×K | 678.96 | Joback Calculated Property |
| η | [0.0003035; 0.0037772] | Pa×s | [266.77; 489.33] |
|
| η | 0.0037772 | Pa×s | 266.77 | Joback Calculated Property |
| η | 0.0019199 | Pa×s | 303.86 | Joback Calculated Property |
| η | 0.0011307 | Pa×s | 340.96 | Joback Calculated Property |
| η | 0.0007388 | Pa×s | 378.05 | Joback Calculated Property |
| η | 0.0005209 | Pa×s | 415.14 | Joback Calculated Property |
| η | 0.0003889 | Pa×s | 452.24 | Joback Calculated Property |
| η | 0.0003035 | Pa×s | 489.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-trans-2-octenal.
Sources
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