![[1,1'-Bicyclohexyl]-2-one, 1'-hydroxy-](/cid/85-034-0/1-1-Bicyclohexyl-2-one-1-hydroxy.png "[1,1'-Bicyclohexyl]-2-one, 1'-hydroxy-")
- InChI
- InChI=1S/C12H20O2/c13-11-7-3-2-6-10(11)12(14)8-4-1-5-9-12/h10,14H,1-9H2
- InChI Key
- AERVJOBGBMEFDV-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- O=C1CCCCC1C1(O)CCCCC1
- Molecular Weight1
- 196.29
- CAS
- 28746-99-8
- Other Names
-
- 1'-hydroxy-[1,1'-bicyclohexyl]-2-one
- 2-(1'-Hydroxycyclohexyl)cyclohexanone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -469.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.81 | kJ/mol | Thermodynamic Properties for 2-(1'-Hydroxycyclohexyl)cyclohexanone and Equilibrium of Dimerization of Cyclohexanone |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.441 | Crippen Calculated Property | |
| McVol | 165.660 | ml/mol | McGowan Calculated Property |
| Tc | 820.32 | K | Relay (1.0) Calculated Property |
| Tfus | 377.30 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 | [495.44; 599.27] | J/mol×K | [673.30; 907.47] | 
|
| Cp,gas | 495.44 | J/mol×K | 673.30 | Joback Calculated Property |
| Cp,gas | 515.16 | J/mol×K | 712.33 | Joback Calculated Property |
| Cp,gas | 533.75 | J/mol×K | 751.36 | Joback Calculated Property |
| Cp,gas | 551.34 | J/mol×K | 790.39 | Joback Calculated Property |
| Cp,gas | 568.03 | J/mol×K | 829.42 | Joback Calculated Property |
| Cp,gas | 583.97 | J/mol×K | 868.45 | Joback Calculated Property |
| Cp,gas | 599.27 | J/mol×K | 907.47 | Joback Calculated Property |
| ΔfusH | 20.81 | kJ/mol | 157.50 | NIST |
| ΔvapH | 87.74 | kJ/mol | 303.11 | Thermodynamics of 2-(1'-Hydroxycyclohexyl)cyclohexanone: Vaporization, Sublimation, and the Ideal Gas State Thermodynamic Properties |
Similar Compounds
Find more compounds similar to [1,1'-Bicyclohexyl]-2-one, 1'-hydroxy-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Thermodynamic Properties for 2-(1'-Hydroxycyclohexyl)cyclohexanone and Equilibrium of Dimerization of Cyclohexanone
- Thermodynamics of 2-(1'-Hydroxycyclohexyl)cyclohexanone: Vaporization, Sublimation, and the Ideal Gas State Thermodynamic Properties
- Joback Method
- McGowan Method
- NIST Webbook
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