- InChI
- InChI=1S/C9H16O2/c1-8(2)5-4-6-9(3,11)7(8)10/h11H,4-6H2,1-3H3
- InChI Key
- FWCGLHYHGUHPRY-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- CC1(C)CCCC(C)(O)C1=O
- Molecular Weight1
- 156.22
- Other Names
-
- 2-hydroxy-2,6,6-trimethyl-cyclohexanone
- 2,2,6-trimethyl-2-hydroxycyclohexanone
- 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° | -228.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 2.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.37 | kJ/mol | Joback Calculated Property |
| log10WS | -1.90 | Crippen Calculated Property | |
| logPoct/wat | 1.517 | Crippen Calculated Property | |
| McVol | 134.250 | ml/mol | McGowan Calculated Property |
| Pc | 3488.88 | kPa | Joback Calculated Property |
| Inp | [1092.00; 1108.00] |
|
|
| Inp | 1093.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1108.00 | NIST | |
| Inp | 1093.00 | NIST | |
| I | [1557.00; 1620.00] |
|
|
| I | 1561.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1601.00 | NIST | |
| I | Outlier 1620.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1557.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1588.00 | NIST | |
| I | 1561.00 | NIST | |
| Tboil | 580.68 | K | Joback Calculated Property |
| Tc | 798.49 | K | Joback Calculated Property |
| Tfus | 371.17 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.81; 431.79] | J/mol×K | [580.68; 798.49] |
|
| Cp,gas | 350.81 | J/mol×K | 580.68 | Joback Calculated Property |
| Cp,gas | 365.66 | J/mol×K | 616.98 | Joback Calculated Property |
| Cp,gas | 379.75 | J/mol×K | 653.28 | Joback Calculated Property |
| Cp,gas | 393.24 | J/mol×K | 689.58 | Joback Calculated Property |
| Cp,gas | 406.30 | J/mol×K | 725.88 | Joback Calculated Property |
| Cp,gas | 419.10 | J/mol×K | 762.19 | Joback Calculated Property |
| Cp,gas | 431.79 | J/mol×K | 798.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6,6-trimethyl-2-hydroxycyclohexanone.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.