- InChI
- InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6+
- InChI Key
- PYLMCYQHBRSDND-SOFGYWHQSA-N
- Formula
- C8H14O
- SMILES
- CCCC=C(C=O)CC
- Molecular Weight1
- 126.20
- Other Names
-
- (E)-2-Ethylhex-2-enal
- 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 | 0.3958 | Relay (... Calculated Property | |
| ΔfG° | -11.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -201.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.70 | kJ/mol | Relay (... Calculated Property |
| IE | 9.28 | eV | Relay (... Calculated Property |
| log10WS | -2.18 | Relay (... Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2906.11 | kPa | Joback Calculated Property |
| Inp | [989.00; 1021.00] |
|
|
| Inp | 1021.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 989.00 | NIST | |
| I | 1322.00 | NIST | |
| Tboil | 439.93 | K | Relay (... Calculated Property |
| Tc | 632.53 | K | Relay (... Calculated Property |
| Tfus | 199.17 | K | Relay (... Calculated Property |
| Vc | 0.442 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.01; 305.24] | J/mol×K | [435.14; 617.65] |
|
| Cp,gas | 241.01 | J/mol×K | 435.14 | Joback Calculated Property |
| Cp,gas | 253.06 | J/mol×K | 465.56 | Joback Calculated Property |
| Cp,gas | 264.55 | J/mol×K | 495.98 | Joback Calculated Property |
| Cp,gas | 275.48 | J/mol×K | 526.39 | Joback Calculated Property |
| Cp,gas | 285.90 | J/mol×K | 556.81 | Joback Calculated Property |
| Cp,gas | 295.81 | J/mol×K | 587.23 | Joback Calculated Property |
| Cp,gas | 305.24 | J/mol×K | 617.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-ethyl-2-hexenal (E).
Sources
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