- InChI
- InChI=1S/C7H12O/c1-5-3-7(8)4-6(5)2/h5-6H,3-4H2,1-2H3
- InChI Key
- ZMGMYCHEWPVBEL-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- CC1CC(=O)CC1C
- Molecular Weight1
- 112.17
- CAS
- 58372-16-0
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -236.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.621 | Crippen Calculated Property | |
| McVol | 100.200 | ml/mol | McGowan Calculated Property |
| Tboil | 428.46 | K | Relay (1.0) Calculated Property |
| Tfus | 298.20 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.74; 286.66] | J/mol×K | [437.99; 652.49] | 
|
| Cp,gas | 205.74 | J/mol×K | 437.99 | Joback Calculated Property |
| Cp,gas | 220.71 | J/mol×K | 473.74 | Joback Calculated Property |
| Cp,gas | 235.09 | J/mol×K | 509.49 | Joback Calculated Property |
| Cp,gas | 248.89 | J/mol×K | 545.24 | Joback Calculated Property |
| Cp,gas | 262.09 | J/mol×K | 580.99 | Joback Calculated Property |
| Cp,gas | 274.68 | J/mol×K | 616.74 | Joback Calculated Property |
| Cp,gas | 286.66 | J/mol×K | 652.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethylcyclopentanone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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