- InChI
- InChI=1S/C14H18O2/c1-9(2)7-14(16)11(4)12-6-5-10(3)13(15)8-12/h5-8,11,15H,1-4H3
- InChI Key
- WZHLEYQOLDOTEY-UHFFFAOYSA-N
- Formula
- C14H18O2
- SMILES
- CC(C)=CC(=O)C(C)c1ccc(C)c(O)c1
- Molecular Weight1
- 218.29
- 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° | -44.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 3.339 | Crippen Calculated Property | |
| McVol | 187.500 | ml/mol | McGowan Calculated Property |
| Pc | 2579.34 | kPa | Joback Calculated Property |
| Inp | 1710.00 | NIST | |
| Tboil | 689.47 | K | Joback Calculated Property |
| Tc | 917.49 | K | Joback Calculated Property |
| Tfus | 414.09 | K | Joback Calculated Property |
| Vc | 0.658 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [501.40; 577.89] | J/mol×K | [689.47; 917.49] | 
|
| Cp,gas | 501.40 | J/mol×K | 689.47 | Joback Calculated Property |
| Cp,gas | 516.03 | J/mol×K | 727.47 | Joback Calculated Property |
| Cp,gas | 529.77 | J/mol×K | 765.48 | Joback Calculated Property |
| Cp,gas | 542.72 | J/mol×K | 803.48 | Joback Calculated Property |
| Cp,gas | 554.98 | J/mol×K | 841.48 | Joback Calculated Property |
| Cp,gas | 566.66 | J/mol×K | 879.49 | Joback Calculated Property |
| Cp,gas | 577.89 | J/mol×K | 917.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hexen-3-one, 5-methyl-2-(3-hydroxy-4-methylphenyl).
Sources
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