- InChI
- InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h10-13,16H,2-9,14-15H2,1H3/b11-10-,13-12+
- InChI Key
- MOVXSJUPKNHSBK-FQEMRORKSA-N
- Formula
- C16H28O
- SMILES
- CCCCCCCCC/C=C\C=C/CCC=O
- Molecular Weight1
- 236.40
- 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 | 0.6626 | Relay (1.0) Calculated Property | |
| ΔfG° | 144.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.219 | Crippen Calculated Property | |
| McVol | 229.270 | ml/mol | McGowan Calculated Property |
| Pc | 1506.98 | kPa | Joback Calculated Property |
| Inp | 1861.00 | NIST | |
| Tboil | 561.43 | K | Relay (1.0) Calculated Property |
| Tc | 757.32 | K | Relay (1.0) Calculated Property |
| Tfus | 273.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.829 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.81; 774.40] | 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 | -2.86200e+01 | |||
| Coefficient B | 1.53832e+00 | |||
| Coefficient C | -1.00720e-03 | |||
| Coefficient D | 2.71900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 321.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 401.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 471.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 533.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 588.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 635.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 676.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 713.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 745.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 774.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035968; 0.0001819] | Pa×s | [301.92; 558.26] |
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 | -1.21265e+01 | |||
| Coefficient B | 1.96211e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 301.92 | |||
| Temperature range, max. | 558.26 | |||
| η | 0.0035968 | Pa×s | 301.92 | Calculated Property |
| η | 0.0020541 | Pa×s | 330.40 | Calculated Property |
| η | 0.0012821 | Pa×s | 358.89 | Calculated Property |
| η | 0.0008577 | Pa×s | 387.37 | Calculated Property |
| η | 0.0006063 | Pa×s | 415.85 | Calculated Property |
| η | 0.0004480 | Pa×s | 444.33 | Calculated Property |
| η | 0.0003434 | Pa×s | 472.82 | Calculated Property |
| η | 0.0002713 | Pa×s | 501.30 | Calculated Property |
| η | 0.0002198 | Pa×s | 529.78 | Calculated Property |
| η | 0.0001819 | Pa×s | 558.26 | Calculated Property |
Similar Compounds
Find more compounds similar to (4Z,6Z)-4,6-hexadecadienal.
Sources
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