- InChI
- InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-2H,3-5H2
- InChI Key
- VNLZLLDMKRKVEX-UHFFFAOYSA-N
- Formula
- C6H8O
- SMILES
- O=C1CC=CCC1
- Molecular Weight1
- 96.13
- CAS
- 4096-34-8
- 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).
- 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° | -60.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 2.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.23 | kJ/mol | Joback Calculated Property |
| IE | 9.42 | eV | NIST |
| log10WS | -1.36 | Crippen Calculated Property | |
| logPoct/wat | 1.296 | Crippen Calculated Property | |
| McVol | 81.810 | ml/mol | McGowan Calculated Property |
| Pc | 4534.68 | kPa | Joback Calculated Property |
| Tboil | 427.88 | K | Joback Calculated Property |
| Tc | 657.68 | K | Joback Calculated Property |
| Tfus | 237.98 | K | Joback Calculated Property |
| Vc | 0.298 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.01; 215.77] | J/mol×K | [427.88; 657.68] | 
|
| Cp,gas | 149.01 | J/mol×K | 427.88 | Joback Calculated Property |
| Cp,gas | 161.60 | J/mol×K | 466.18 | Joback Calculated Property |
| Cp,gas | 173.60 | J/mol×K | 504.48 | Joback Calculated Property |
| Cp,gas | 185.03 | J/mol×K | 542.78 | Joback Calculated Property |
| Cp,gas | 195.87 | J/mol×K | 581.08 | Joback Calculated Property |
| Cp,gas | 206.12 | J/mol×K | 619.38 | Joback Calculated Property |
| Cp,gas | 215.77 | J/mol×K | 657.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cyclohex-3-en-1-one.
Sources
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