- InChI
- InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5,7,10,14H,8H2,1-4H3
- InChI Key
- ZYHHDRRWYJNBAN-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- CC1=CC(=O)CC(C)(C)C1=C=CC(C)O
- Molecular Weight1
- 206.28
- 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° | 9.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.52 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.394 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2659.77 | kPa | Joback Calculated Property |
| Inp | 1594.00 | NIST | |
| Tboil | 690.24 | K | Joback Calculated Property |
| Tc | 909.56 | K | Joback Calculated Property |
| Tfus | 411.74 | K | Joback Calculated Property |
| Vc | 0.663 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.69; 572.44] | J/mol×K | [690.24; 909.56] | 
|
| Cp,gas | 488.69 | J/mol×K | 690.24 | Joback Calculated Property |
| Cp,gas | 504.00 | J/mol×K | 726.79 | Joback Calculated Property |
| Cp,gas | 518.66 | J/mol×K | 763.35 | Joback Calculated Property |
| Cp,gas | 532.76 | J/mol×K | 799.90 | Joback Calculated Property |
| Cp,gas | 546.37 | J/mol×K | 836.46 | Joback Calculated Property |
| Cp,gas | 559.57 | J/mol×K | 873.01 | Joback Calculated Property |
| Cp,gas | 572.44 | J/mol×K | 909.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Megastigma-4,6,7-trien-3-one, 9-hydroxy.
Sources
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