- InChI
- InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-10-9-11(12)13-10/h10H,2-9H2,1H3
- InChI Key
- QVOWOUXELCKCEW-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- CCCCCCCCC1CC(=O)O1
- Molecular Weight1
- 184.28
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.6204 | Relay (1.0) Calculated Property | |
| ΔfG° | -118.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.08 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.053 | Crippen Calculated Property | |
| McVol | 162.430 | ml/mol | McGowan Calculated Property |
| Pc | 2282.77 | kPa | Joback Calculated Property |
| I | [1935.00; 1935.00] |
|
|
| I | 1935.00 | NIST | |
| I | 1935.00 | NIST | |
| Tboil | 548.25 | K | Relay (1.0) Calculated Property |
| Tc | 730.66 | K | Relay (1.0) Calculated Property |
| Tfus | 268.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.636 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.15; 508.60] | J/mol×K | [556.86; 751.71] |
|
| Cp,gas | 418.15 | J/mol×K | 556.86 | Joback Calculated Property |
| Cp,gas | 435.14 | J/mol×K | 589.33 | Joback Calculated Property |
| Cp,gas | 451.34 | J/mol×K | 621.81 | Joback Calculated Property |
| Cp,gas | 466.78 | J/mol×K | 654.28 | Joback Calculated Property |
| Cp,gas | 481.45 | J/mol×K | 686.76 | Joback Calculated Property |
| Cp,gas | 495.39 | J/mol×K | 719.23 | Joback Calculated Property |
| Cp,gas | 508.60 | J/mol×K | 751.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Oxetanone, 4-octyl («beta»-undecalactone).
Sources
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