- InChI
- InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3,9H,4-5H2,1-2H3
- InChI Key
- PQZVNKWTNLBLHJ-UHFFFAOYSA-N
- Formula
- C8H12O2
- SMILES
- CC1(C)CC(=O)C=C(O)C1
- Molecular Weight1
- 140.18
- CAS
- 3471-13-4
- Other Names
-
- 5,5-Dimethyl-cyclohex-2-enone-3-ol
- 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).
- IE : Ionization energy (eV).
- 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).
- 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° | -203.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.56 | kJ/mol | Joback Calculated Property |
| IE | 9.45 | eV | NIST |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 1.817 | Crippen Calculated Property | |
| McVol | 115.860 | ml/mol | McGowan Calculated Property |
| Pc | 3965.51 | kPa | Joback Calculated Property |
| Tboil | 566.37 | K | Joback Calculated Property |
| Tc | 782.58 | K | Joback Calculated Property |
| Tfus | 353.52 | K | Joback Calculated Property |
| Vc | 0.426 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.38; 350.31] | J/mol×K | [566.37; 782.58] | 
|
| Cp,gas | 283.38 | J/mol×K | 566.37 | Joback Calculated Property |
| Cp,gas | 295.89 | J/mol×K | 602.41 | Joback Calculated Property |
| Cp,gas | 307.76 | J/mol×K | 638.44 | Joback Calculated Property |
| Cp,gas | 319.06 | J/mol×K | 674.48 | Joback Calculated Property |
| Cp,gas | 329.87 | J/mol×K | 710.51 | Joback Calculated Property |
| Cp,gas | 340.26 | J/mol×K | 746.55 | Joback Calculated Property |
| Cp,gas | 350.31 | J/mol×K | 782.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,5-Dimethyl-1,3-cyclohexanedione.
Sources
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