- InChI
- InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-2,5,7H,3-4H2
- InChI Key
- AMFCFGFZMSQOIU-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- O=C1C=CC(O)CC1
- Molecular Weight1
- 112.13
- CAS
- 30182-12-8
- Other Names
-
- 4-Hydroxy-2-cyclohexen-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).
- 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).
- 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° | -205.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -345.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.60 | kJ/mol | Joback Calculated Property |
| log10WS | -0.74 | Crippen Calculated Property | |
| logPoct/wat | 0.266 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4917.69 | kPa | Joback Calculated Property |
| I | 2277.00 | NIST | |
| Tboil | 515.39 | K | Joback Calculated Property |
| Tc | 729.00 | K | Joback Calculated Property |
| Tfus | 294.56 | K | Joback Calculated Property |
| Vc | 0.317 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.14; 255.02] | J/mol×K | [515.39; 729.00] | 
|
| Cp,gas | 196.14 | J/mol×K | 515.39 | Joback Calculated Property |
| Cp,gas | 207.28 | J/mol×K | 550.99 | Joback Calculated Property |
| Cp,gas | 217.90 | J/mol×K | 586.59 | Joback Calculated Property |
| Cp,gas | 227.99 | J/mol×K | 622.20 | Joback Calculated Property |
| Cp,gas | 237.55 | J/mol×K | 657.80 | Joback Calculated Property |
| Cp,gas | 246.56 | J/mol×K | 693.40 | Joback Calculated Property |
| Cp,gas | 255.02 | J/mol×K | 729.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-one, 4-hydroxy-.
Sources
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