- InChI
- InChI=1S/C9H14O2/c1-8(7-10)5-4-6-9(2,3)11/h4-7,11H,1-3H3/b6-4+,8-5+
- InChI Key
- VMRUOMPSDZHKQS-HLQBBKRNSA-N
- Formula
- C9H14O2
- SMILES
- CC(C=O)=CC=CC(C)(C)O
- Molecular Weight1
- 154.21
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -56.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -251.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.73 | kJ/mol | Joback Calculated Property |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.459 | Crippen Calculated Property | |
| McVol | 136.510 | ml/mol | McGowan Calculated Property |
| Pc | 3127.99 | kPa | Joback Calculated Property |
| Inp | 1275.00 | NIST | |
| I | [2173.00; 2173.00] |
|
|
| I | 2173.00 | NIST | |
| I | 2173.00 | NIST | |
| Tboil | 551.13 | K | Joback Calculated Property |
| Tc | 741.45 | K | Joback Calculated Property |
| Tfus | 272.31 | K | Joback Calculated Property |
| Vc | 0.525 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.39; 378.96] | J/mol×K | [551.13; 741.45] |
|
| Cp,gas | 321.39 | J/mol×K | 551.13 | Joback Calculated Property |
| Cp,gas | 332.60 | J/mol×K | 582.85 | Joback Calculated Property |
| Cp,gas | 343.09 | J/mol×K | 614.57 | Joback Calculated Property |
| Cp,gas | 352.92 | J/mol×K | 646.29 | Joback Calculated Property |
| Cp,gas | 362.14 | J/mol×K | 678.01 | Joback Calculated Property |
| Cp,gas | 370.80 | J/mol×K | 709.73 | Joback Calculated Property |
| Cp,gas | 378.96 | J/mol×K | 741.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2E,4E)-6-Hydroxy-2,6-dimethylhepta-2,4-dienal.
Sources
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