- InChI
- InChI=1S/C8H12O/c1-3-8(4-2)6-5-7-9/h7-8H,3-4H2,1-2H3
- InChI Key
- XZYAPQCJDYFPBN-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- CCC(C#CC=O)CC
- Molecular Weight1
- 124.18
- CAS
- 71932-97-3
- Other Names
-
- Hex-2-ynal, 4-ethyl-
- 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).
- 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 | 0.3099 | Relay (... Calculated Property | |
| ΔfG° | 117.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -29.22 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.32 | kJ/mol | Relay (... Calculated Property |
| IE | 10.00 | eV | NIST |
| log10WS | -1.90 | Relay (... Calculated Property | |
| logPoct/wat | 1.625 | Crippen Calculated Property | |
| McVol | 116.550 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Tboil | 439.62 | K | Relay (... Calculated Property |
| Tc | 604.48 | K | Relay (... Calculated Property |
| Tfus | 222.94 | K | Relay (... Calculated Property |
| Vc | 0.392 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.40; 289.57] | J/mol×K | [439.66; 638.58] | 
|
| Cp,gas | 228.40 | J/mol×K | 439.66 | Joback Calculated Property |
| Cp,gas | 239.81 | J/mol×K | 472.81 | Joback Calculated Property |
| Cp,gas | 250.72 | J/mol×K | 505.97 | Joback Calculated Property |
| Cp,gas | 261.14 | J/mol×K | 539.12 | Joback Calculated Property |
| Cp,gas | 271.08 | J/mol×K | 572.27 | Joback Calculated Property |
| Cp,gas | 280.55 | J/mol×K | 605.42 | Joback Calculated Property |
| Cp,gas | 289.57 | J/mol×K | 638.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethyl-2-hexynal.
Sources
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