- 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-MRBUWEIXSA-N
- Formula
- C16H28O
- SMILES
- CCCCCCCCCC=CC=CCCC=O
- Molecular Weight1
- 236.39
- 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 | 0.6693 | Relay (1.0) Calculated Property | |
| ΔfG° | 144.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.58 | 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 | [1843.00; 1843.00] |
|
|
| Inp | 1843.00 | NIST | |
| Inp | 1843.00 | NIST | |
| Tboil | 562.26 | K | Relay (1.0) Calculated Property |
| Tc | 755.41 | K | Relay (1.0) Calculated Property |
| Tfus | 304.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.840 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.37; 695.53] | J/mol×K | [622.66; 797.52] |
|
| Cp,gas | 604.37 | J/mol×K | 622.66 | Joback Calculated Property |
| Cp,gas | 621.45 | J/mol×K | 651.80 | Joback Calculated Property |
| Cp,gas | 637.72 | J/mol×K | 680.95 | Joback Calculated Property |
| Cp,gas | 653.22 | J/mol×K | 710.09 | Joback Calculated Property |
| Cp,gas | 668.00 | J/mol×K | 739.23 | Joback Calculated Property |
| Cp,gas | 682.08 | J/mol×K | 768.38 | Joback Calculated Property |
| Cp,gas | 695.53 | J/mol×K | 797.52 | Joback Calculated Property |
| η | [0.0001265; 0.0035968] | Pa×s | [301.92; 622.66] |
|
| η | 0.0035968 | Pa×s | 301.92 | Joback Calculated Property |
| η | 0.0013532 | Pa×s | 355.38 | Joback Calculated Property |
| η | 0.0006574 | Pa×s | 408.83 | Joback Calculated Property |
| η | 0.0003774 | Pa×s | 462.29 | Joback Calculated Property |
| η | 0.0002431 | Pa×s | 515.75 | Joback Calculated Property |
| η | 0.0001701 | Pa×s | 569.20 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 622.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (4Z,6E)-4,6-hexadecadienal.
Sources
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