- InChI
- InChI=1S/C9H14O/c10-9-5-7-2-1-3-8(4-7)6-9/h7-8H,1-6H2
- InChI Key
- ANFLIDKLELMAAQ-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- O=C1CC2CCCC(C1)C2
- Molecular Weight1
- 138.21
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -254.00 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 8.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.156 | Crippen Calculated Property | |
| McVol | 117.520 | ml/mol | McGowan Calculated Property |
| Tboil | 490.71 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [277.47; 377.14] | J/mol×K | [499.43; 734.32] | 
|
| Cp,gas | 277.47 | J/mol×K | 499.43 | Joback Calculated Property |
| Cp,gas | 296.85 | J/mol×K | 538.58 | Joback Calculated Property |
| Cp,gas | 315.07 | J/mol×K | 577.73 | Joback Calculated Property |
| Cp,gas | 332.18 | J/mol×K | 616.87 | Joback Calculated Property |
| Cp,gas | 348.20 | J/mol×K | 656.02 | Joback Calculated Property |
| Cp,gas | 363.18 | J/mol×K | 695.17 | Joback Calculated Property |
| Cp,gas | 377.14 | J/mol×K | 734.32 | Joback Calculated Property |
Similar Compounds
![Bicyclo[3.2.1]octan-3-one.](data:image/png;base64,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)
Find more compounds similar to Bicyclo(3.3.1)nonan-3-one.
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
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