- InChI
- InChI=1S/C10H16O/c1-7-5-6-8(2)10(3,4)9(7)11/h5,8H,6H2,1-4H3
- InChI Key
- KXRGNMKZVAJQJO-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- CC1=CCC(C)C(C)(C)C1=O
- Molecular Weight1
- 152.23
- 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).
- 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° | -57.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.02 | kJ/mol | Joback Calculated Property |
| log10WS | -2.55 | Crippen Calculated Property | |
| logPoct/wat | 2.568 | Crippen Calculated Property | |
| McVol | 138.170 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| I | [1405.00; 1405.00] |
|
|
| I | 1405.00 | NIST | |
| I | 1405.00 | NIST | |
| Tboil | 515.28 | K | Joback Calculated Property |
| Tc | 741.26 | K | Joback Calculated Property |
| Tfus | 311.00 | K | Joback Calculated Property |
| Vc | 0.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.92; 415.19] | J/mol×K | [515.28; 741.26] |
|
| Cp,gas | 321.92 | J/mol×K | 515.28 | Joback Calculated Property |
| Cp,gas | 339.56 | J/mol×K | 552.94 | Joback Calculated Property |
| Cp,gas | 356.26 | J/mol×K | 590.61 | Joback Calculated Property |
| Cp,gas | 372.09 | J/mol×K | 628.27 | Joback Calculated Property |
| Cp,gas | 387.13 | J/mol×K | 665.93 | Joback Calculated Property |
| Cp,gas | 401.47 | J/mol×K | 703.59 | Joback Calculated Property |
| Cp,gas | 415.19 | J/mol×K | 741.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5,6,6-Tetramethylcyclohexe-2-en-1-one.
Sources
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