- InChI
- InChI=1S/C9H14O/c1-7(2)8-5-3-4-6-9(8)10/h3-6H2,1-2H3
- InChI Key
- MMTBDIDPDFBJIC-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- CC(C)=C1CCCCC1=O
- Molecular Weight1
- 138.21
- CAS
- 13747-73-4
- Other Names
-
- Cyclohexanone, 2-isopropylidene-
- 2-Isopropylidenecyclohexanone
- 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.
- 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 | 0.3414 | Relay (... Calculated Property | |
| ΔfG° | -28.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.97 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 8.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.61 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -1.66 | Relay (... Calculated Property | |
| logPoct/wat | 2.466 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| Pc | 3173.97 | kPa | Joback Calculated Property |
| Inp | [1099.00; 1099.00] |
|
|
| Inp | 1099.00 | NIST | |
| Inp | 1099.00 | NIST | |
| Tboil | 490.33 | K | Relay (... Calculated Property |
| Tc | 710.80 | K | Relay (... Calculated Property |
| Tfus | 298.23 | K | Relay (... Calculated Property |
| Vc | 0.422 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.19; 361.70] | J/mol×K | [503.88; 733.15] |
|
| Cp,gas | 274.19 | J/mol×K | 503.88 | Joback Calculated Property |
| Cp,gas | 290.87 | J/mol×K | 542.09 | Joback Calculated Property |
| Cp,gas | 306.71 | J/mol×K | 580.30 | Joback Calculated Property |
| Cp,gas | 321.70 | J/mol×K | 618.52 | Joback Calculated Property |
| Cp,gas | 335.86 | J/mol×K | 656.73 | Joback Calculated Property |
| Cp,gas | 349.19 | J/mol×K | 694.94 | Joback Calculated Property |
| Cp,gas | 361.70 | J/mol×K | 733.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, 2-(1-methylethylidene)-.
Sources
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