- InChI
- InChI=1S/C8H12O/c1-4-7(2)5-8(3)6-9/h4-6H,1-3H3/b7-4+,8-5+
- InChI Key
- JLRXGFYYIORWGF-NSLJXJERSA-N
- Formula
- C8H12O
- SMILES
- CC=C(C)C=C(C)C=O
- Molecular Weight1
- 124.18
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 60.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -79.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.20 | kJ/mol | Joback Calculated Property |
| log10WS | -2.16 | Crippen Calculated Property | |
| logPoct/wat | 2.098 | Crippen Calculated Property | |
| McVol | 116.550 | ml/mol | McGowan Calculated Property |
| Pc | 3093.29 | kPa | Joback Calculated Property |
| Inp | [1068.00; 1068.00] |
|
|
| Inp | 1068.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Tboil | 439.18 | K | Joback Calculated Property |
| Tc | 634.54 | K | Joback Calculated Property |
| Tfus | 183.84 | K | Joback Calculated Property |
| Vc | 0.463 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.08; 286.95] | J/mol×K | [439.18; 634.54] |
|
| Cp,gas | 225.08 | J/mol×K | 439.18 | Joback Calculated Property |
| Cp,gas | 236.97 | J/mol×K | 471.74 | Joback Calculated Property |
| Cp,gas | 248.18 | J/mol×K | 504.30 | Joback Calculated Property |
| Cp,gas | 258.74 | J/mol×K | 536.86 | Joback Calculated Property |
| Cp,gas | 268.70 | J/mol×K | 569.42 | Joback Calculated Property |
| Cp,gas | 278.09 | J/mol×K | 601.98 | Joback Calculated Property |
| Cp,gas | 286.95 | J/mol×K | 634.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2E,4E)-2,4-Dimethyl-2,4-hexadienal.
Sources
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