- InChI
- InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h2,4,6H,3,5H2,1H3
- InChI Key
- NQICQYZVEPBJON-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- CC1CC=CC(=O)C1
- Molecular Weight1
- 110.15
- CAS
- 7214-50-8
- Other Names
-
- 5-methyl-cyclohex-2-en-1-one
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.3197 | Relay (... Calculated Property | |
| ΔfG° | -60.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 6.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.03 | kJ/mol | Relay (... Calculated Property |
| IE | 9.55 | eV | Relay (... Calculated Property |
| log10WS | -1.14 | Relay (... Calculated Property | |
| logPoct/wat | 1.542 | Crippen Calculated Property | |
| McVol | 95.900 | ml/mol | McGowan Calculated Property |
| Pc | 3838.78 | kPa | Joback Calculated Property |
| Inp | [937.00; 970.00] |
|
|
| Inp | 937.00 | NIST | |
| Inp | 970.00 | NIST | |
| I | 1413.00 | NIST | |
| Tboil | 443.98 | K | Relay (... Calculated Property |
| Tc | 648.48 | K | Relay (... Calculated Property |
| Tfus | 225.86 | K | Relay (... Calculated Property |
| Vc | 0.324 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.41; 265.87] | J/mol×K | [446.09; 672.21] |
|
| Cp,gas | 189.41 | J/mol×K | 446.09 | Joback Calculated Property |
| Cp,gas | 203.75 | J/mol×K | 483.78 | Joback Calculated Property |
| Cp,gas | 217.47 | J/mol×K | 521.46 | Joback Calculated Property |
| Cp,gas | 230.54 | J/mol×K | 559.15 | Joback Calculated Property |
| Cp,gas | 242.97 | J/mol×K | 596.84 | Joback Calculated Property |
| Cp,gas | 254.75 | J/mol×K | 634.53 | Joback Calculated Property |
| Cp,gas | 265.87 | J/mol×K | 672.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-one, 5-methyl-.
Sources
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