- InChI
- InChI=1S/C10H14O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h9H,4-5H2,1-3H3
- InChI Key
- ITSKWKZDPHAQNK-UHFFFAOYSA-N
- Formula
- C10H14O3
- SMILES
- CC(=O)C1C(=O)CC(C)(C)CC1=O
- Molecular Weight1
- 182.22
- CAS
- 1755-15-3
- 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).
- 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° | -329.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -588.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.06 | kJ/mol | Joback Calculated Property |
| log10WS | -1.26 | Crippen Calculated Property | |
| logPoct/wat | 1.150 | Crippen Calculated Property | |
| McVol | 145.610 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Tboil | 632.83 | K | Joback Calculated Property |
| Tc | 877.32 | K | Joback Calculated Property |
| Tfus | 415.87 | K | Joback Calculated Property |
| Vc | 0.545 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.09; 484.01] | J/mol×K | [632.83; 877.32] | 
|
| Cp,gas | 392.09 | J/mol×K | 632.83 | Joback Calculated Property |
| Cp,gas | 409.40 | J/mol×K | 673.58 | Joback Calculated Property |
| Cp,gas | 425.83 | J/mol×K | 714.33 | Joback Calculated Property |
| Cp,gas | 441.44 | J/mol×K | 755.07 | Joback Calculated Property |
| Cp,gas | 456.30 | J/mol×K | 795.82 | Joback Calculated Property |
| Cp,gas | 470.47 | J/mol×K | 836.57 | Joback Calculated Property |
| Cp,gas | 484.01 | J/mol×K | 877.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane-1,3-dione, 2-acetyl-5,5-dimethyl-.
Sources
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