- InChI
- InChI=1S/C10H18O/c1-7-5-9(11)6-10(3,4)8(7)2/h7-8H,5-6H2,1-4H3
- InChI Key
- RIAQBNSPOHNARJ-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- CC1CC(=O)CC(C)(C)C1C
- Molecular Weight1
- 154.25
- 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° | -85.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -358.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.76 | kJ/mol | Joback Calculated Property |
| log10WS | -2.46 | Crippen Calculated Property | |
| logPoct/wat | 2.648 | Crippen Calculated Property | |
| McVol | 142.470 | ml/mol | McGowan Calculated Property |
| Pc | 2605.74 | kPa | Joback Calculated Property |
| Inp | [1085.00; 1085.00] |
|
|
| Inp | 1085.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Tboil | 506.47 | K | Joback Calculated Property |
| Tc | 728.80 | K | Joback Calculated Property |
| Tfus | 293.48 | K | Joback Calculated Property |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [339.35; 443.60] | J/mol×K | [506.47; 728.80] |
|
| Cp,gas | 339.35 | J/mol×K | 506.47 | Joback Calculated Property |
| Cp,gas | 359.07 | J/mol×K | 543.53 | Joback Calculated Property |
| Cp,gas | 377.75 | J/mol×K | 580.58 | Joback Calculated Property |
| Cp,gas | 395.47 | J/mol×K | 617.64 | Joback Calculated Property |
| Cp,gas | 412.30 | J/mol×K | 654.69 | Joback Calculated Property |
| Cp,gas | 428.32 | J/mol×K | 691.75 | Joback Calculated Property |
| Cp,gas | 443.60 | J/mol×K | 728.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,4,5-tetramethylcyclohexan-1-one.
Sources
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