- InChI
- InChI=1S/C16H30O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h14-15H,3-13H2,1-2H3/b16-14+
- InChI Key
- RSBRHLFCWKXUSQ-JQIJEIRASA-N
- Formula
- C16H30O
- SMILES
- CCCCCCCC=C(C=O)CCCCCC
- Molecular Weight1
- 238.41
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- I : 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 | 0.7173 | Relay (... Calculated Property | |
| ΔfG° | 55.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.73 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.84 | kJ/mol | Relay (... Calculated Property |
| IE | 9.28 | eV | Relay (... Calculated Property |
| log10WS | -5.90 | Relay (... Calculated Property | |
| logPoct/wat | 5.443 | Crippen Calculated Property | |
| McVol | 233.570 | ml/mol | McGowan Calculated Property |
| Pc | 1453.46 | kPa | Joback Calculated Property |
| Inp | 1769.00 | NIST | |
| I | [2101.00; 2101.00] |
|
|
| I | 2101.00 | NIST | |
| I | 2101.00 | NIST | |
| Tboil | 558.55 | K | Relay (... Calculated Property |
| Tc | 759.10 | K | Relay (... Calculated Property |
| Tfus | 261.00 | K | Relay (... Calculated Property |
| Vc | 0.881 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [624.12; 718.89] | J/mol×K | [618.18; 789.51] |
|
| Cp,gas | 624.12 | J/mol×K | 618.18 | Joback Calculated Property |
| Cp,gas | 641.80 | J/mol×K | 646.74 | Joback Calculated Property |
| Cp,gas | 658.68 | J/mol×K | 675.29 | Joback Calculated Property |
| Cp,gas | 674.80 | J/mol×K | 703.85 | Joback Calculated Property |
| Cp,gas | 690.18 | J/mol×K | 732.40 | Joback Calculated Property |
| Cp,gas | 704.87 | J/mol×K | 760.96 | Joback Calculated Property |
| Cp,gas | 718.89 | J/mol×K | 789.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Hexyldec-2-enal.
Sources
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