- InChI
- InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2
- InChI Key
- OILAIQUEIWYQPH-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- O=C1CCCCC1=O
- Molecular Weight1
- 112.13
- CAS
- 765-87-7
- Other Names
-
- 1,2-Dioxocyclohexane
- Cyclohexane-1,2-dione
- 1,2-Cyclohexadione
- c-hexane-1,2-dione
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 849.60 | kJ/mol | NIST |
| BasG | 818.90 | kJ/mol | NIST |
| ΔfG° | -213.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 1.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.18 | kJ/mol | Joback Calculated Property |
| log10WS | -0.79 | Crippen Calculated Property | |
| logPoct/wat | 0.699 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4528.58 | kPa | Joback Calculated Property |
| I | 1668.00 | NIST | |
| Tboil | 467.20 | K | NIST |
| Tc | 743.28 | K | Joback Calculated Property |
| Tfus | 305.44 | K | Joback Calculated Property |
| Vc | 0.320 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.73; 260.02] | J/mol×K | [496.54; 743.28] | 
|
| Cp,gas | 186.73 | J/mol×K | 496.54 | Joback Calculated Property |
| Cp,gas | 200.45 | J/mol×K | 537.66 | Joback Calculated Property |
| Cp,gas | 213.64 | J/mol×K | 578.79 | Joback Calculated Property |
| Cp,gas | 226.25 | J/mol×K | 619.91 | Joback Calculated Property |
| Cp,gas | 238.21 | J/mol×K | 661.03 | Joback Calculated Property |
| Cp,gas | 249.49 | J/mol×K | 702.15 | Joback Calculated Property |
| Cp,gas | 260.02 | J/mol×K | 743.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedione.
Sources
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