- InChI
- InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2
- InChI Key
- ODZTXUXIYGJLMC-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- O=C1CCCCC1O
- Molecular Weight1
- 114.14
- CAS
- 533-60-8
- Other Names
-
- Adipoin
- 2-Hydroxycyclohexanone
- 2-Hydroxy-1-cyclohexanone
- 2-hydroxycyclohexan-1-one
- 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).
- IE : Ionization energy (eV).
- 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.
- 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° | -235.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.30 | kJ/mol | Joback Calculated Property |
| IE | 9.70 | eV | NIST |
| log10WS | -0.88 | Crippen Calculated Property | |
| logPoct/wat | 0.490 | Crippen Calculated Property | |
| McVol | 91.980 | ml/mol | McGowan Calculated Property |
| Pc | 4678.49 | kPa | Joback Calculated Property |
| Inp | [955.00; 971.00] |
|
|
| Inp | 955.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 955.00 | NIST | |
| I | [1643.00; 1643.00] |
|
|
| I | 1643.00 | NIST | |
| I | 1643.00 | NIST | |
| Tboil | 516.23 | K | Joback Calculated Property |
| Tc | 727.75 | K | Joback Calculated Property |
| Tfus | 383.00 ± 4.00 | K | NIST |
| Vc | 0.331 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.57; 279.34] | J/mol×K | [516.23; 727.75] |
|
| Cp,gas | 213.57 | J/mol×K | 516.23 | Joback Calculated Property |
| Cp,gas | 225.96 | J/mol×K | 551.48 | Joback Calculated Property |
| Cp,gas | 237.79 | J/mol×K | 586.74 | Joback Calculated Property |
| Cp,gas | 249.05 | J/mol×K | 621.99 | Joback Calculated Property |
| Cp,gas | 259.74 | J/mol×K | 657.24 | Joback Calculated Property |
| Cp,gas | 269.84 | J/mol×K | 692.49 | Joback Calculated Property |
| Cp,gas | 279.34 | J/mol×K | 727.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, 2-hydroxy-.
Sources
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