- 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).
- 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 | 0.5003 | 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 |
| Inp | [1162.00; 1162.00] |
|
|
| Inp | 1162.00 | NIST | |
| Inp | 1162.00 | NIST | |
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.03; 381.27] | 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 | 1.93000e-01 | |||
| Coefficient B | 7.30320e-01 | |||
| Coefficient C | -4.69500e-04 | |||
| Coefficient D | 1.20260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 167.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 205.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 238.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 268.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 294.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 316.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 336.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 353.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 368.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 381.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037772; 0.0003319] | Pa×s | [266.77; 475.27] |
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 | -1.11221e+01 | |||
| Coefficient B | 1.47878e+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. | 266.77 | |||
| Temperature range, max. | 475.27 | |||
| η | 0.0037772 | Pa×s | 266.77 | Calculated Property |
| η | 0.0024255 | Pa×s | 289.94 | Calculated Property |
| η | 0.0016631 | Pa×s | 313.10 | Calculated Property |
| η | 0.0012012 | Pa×s | 336.27 | Calculated Property |
| η | 0.0009047 | Pa×s | 359.44 | Calculated Property |
| η | 0.0007052 | Pa×s | 382.60 | Calculated Property |
| η | 0.0005656 | Pa×s | 405.77 | Calculated Property |
| η | 0.0004645 | Pa×s | 428.94 | Calculated Property |
| η | 0.0003893 | Pa×s | 452.10 | Calculated Property |
| η | 0.0003319 | Pa×s | 475.27 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxo-trans-2-octenal.
Sources
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