- InChI
- InChI=1S/C12H22O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h10-11H,3-9H2,1-2H3/b12-10+
- InChI Key
- LYGMPIZYNJGJKP-ZRDIBKRKSA-N
- Formula
- C12H22O
- SMILES
- CCCCCC=C(C=O)CCCC
- Molecular Weight1
- 182.30
- Other Names
-
- 2-butyl-2-octenal (E)
- 2-Octenal, 2-butyl, (E)-
- 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 | 0.5687 | Relay (... Calculated Property | |
| ΔfG° | 22.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.39 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.66 | kJ/mol | Relay (... Calculated Property |
| IE | 9.26 | eV | Relay (... Calculated Property |
| log10WS | -4.26 | Relay (... Calculated Property | |
| logPoct/wat | 3.882 | Crippen Calculated Property | |
| McVol | 177.210 | ml/mol | McGowan Calculated Property |
| Pc | 1994.77 | kPa | Joback Calculated Property |
| Inp | [1357.00; 1385.00] |
|
|
| Inp | 1385.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1371.00 | NIST | |
| I | 1697.00 | NIST | |
| Tboil | 503.75 | K | Relay (... Calculated Property |
| Tc | 703.53 | K | Relay (... Calculated Property |
| Tfus | 230.06 | K | Relay (... Calculated Property |
| Vc | 0.659 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.67; 501.71] | J/mol×K | [526.66; 702.71] |
|
| Cp,gas | 418.67 | J/mol×K | 526.66 | Joback Calculated Property |
| Cp,gas | 434.19 | J/mol×K | 556.00 | Joback Calculated Property |
| Cp,gas | 448.99 | J/mol×K | 585.34 | Joback Calculated Property |
| Cp,gas | 463.12 | J/mol×K | 614.69 | Joback Calculated Property |
| Cp,gas | 476.60 | J/mol×K | 644.03 | Joback Calculated Property |
| Cp,gas | 489.45 | J/mol×K | 673.37 | Joback Calculated Property |
| Cp,gas | 501.71 | J/mol×K | 702.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Butyloct-2-enal.
Sources
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