- InChI
- InChI=1S/C12H22O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11+
- InChI Key
- YMGRIFHYJBXCDV-PHIMTYICSA-N
- Formula
- C12H22O
- SMILES
-
CC(=O)[C@H]1CC[C@@H](C(C)(C)C)
CC1 - Molecular Weight1
- 182.31
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3501 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -334.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.428 | Crippen Calculated Property | |
| McVol | 170.650 | ml/mol | McGowan Calculated Property |
| Pc | 2233.41 | kPa | Joback Calculated Property |
| Tboil | 523.92 | K | Relay (1.0) Calculated Property |
| Tc | 744.71 | K | Relay (1.0) Calculated Property |
| Tfus | 345.15 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.30; 539.46] | J/mol×K | [539.68; 753.41] | 
|
| Cp,gas | 429.30 | J/mol×K | 539.68 | Joback Calculated Property |
| Cp,gas | 450.70 | J/mol×K | 575.30 | Joback Calculated Property |
| Cp,gas | 470.82 | J/mol×K | 610.92 | Joback Calculated Property |
| Cp,gas | 489.71 | J/mol×K | 646.54 | Joback Calculated Property |
| Cp,gas | 507.41 | J/mol×K | 682.17 | Joback Calculated Property |
| Cp,gas | 523.98 | J/mol×K | 717.79 | Joback Calculated Property |
| Cp,gas | 539.46 | J/mol×K | 753.41 | Joback Calculated Property |
| η | [0.0002578; 0.0056569] | Pa×s | [280.49; 539.68] |
|
| η | 0.0056569 | Pa×s | 280.49 | Joback Calculated Property |
| η | 0.0023981 | Pa×s | 323.69 | Joback Calculated Property |
| η | 0.0012443 | Pa×s | 366.89 | Joback Calculated Property |
| η | 0.0007414 | Pa×s | 410.09 | Joback Calculated Property |
| η | 0.0004875 | Pa×s | 453.28 | Joback Calculated Property |
| η | 0.0003448 | Pa×s | 496.48 | Joback Calculated Property |
| η | 0.0002578 | Pa×s | 539.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-4-Tert-butylcyclohexyl methyl ketone.
Sources
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