- InChI
- InChI=1S/C6H8O/c1-6(2)4-3-5-7/h3-5H,1H2,2H3/b4-3+
- InChI Key
- CPHXZIBGZOPWBM-ONEGZZNKSA-N
- Formula
- C6H8O
- SMILES
- C=C(C)C=CC=O
- Molecular Weight1
- 96.13
- 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° | 59.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -19.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.04 | kJ/mol | Joback Calculated Property |
| log10WS | -1.32 | Crippen Calculated Property | |
| logPoct/wat | 1.318 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Inp | 861.00 | NIST | |
| Tboil | 386.06 | K | Joback Calculated Property |
| Tc | 575.25 | K | Joback Calculated Property |
| Tfus | 178.58 | K | Joback Calculated Property |
| Vc | 0.350 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [150.49; 197.18] | J/mol×K | [386.06; 575.25] | 
|
| Cp,gas | 150.49 | J/mol×K | 386.06 | Joback Calculated Property |
| Cp,gas | 159.43 | J/mol×K | 417.59 | Joback Calculated Property |
| Cp,gas | 167.87 | J/mol×K | 449.12 | Joback Calculated Property |
| Cp,gas | 175.85 | J/mol×K | 480.66 | Joback Calculated Property |
| Cp,gas | 183.38 | J/mol×K | 512.19 | Joback Calculated Property |
| Cp,gas | 190.48 | J/mol×K | 543.72 | Joback Calculated Property |
| Cp,gas | 197.18 | J/mol×K | 575.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-2,4-pentadienal.
Sources
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