- 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).
- η : Dynamic viscosity (Pa×s).
- 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° | -195.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.28 | 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 | 2135.43 | 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 | 735.26 | K | Relay (1.0) Calculated Property |
| Tfus | 263.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.640 | 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 | [394.30; 475.81] | J/mol×K | [511.97; 686.14] |
|
| Cp,gas | 394.30 | J/mol×K | 511.97 | Joback Calculated Property |
| Cp,gas | 409.63 | J/mol×K | 541.00 | Joback Calculated Property |
| Cp,gas | 424.22 | J/mol×K | 570.03 | Joback Calculated Property |
| Cp,gas | 438.10 | J/mol×K | 599.06 | Joback Calculated Property |
| Cp,gas | 451.31 | J/mol×K | 628.09 | Joback Calculated Property |
| Cp,gas | 463.87 | J/mol×K | 657.11 | Joback Calculated Property |
| Cp,gas | 475.81 | J/mol×K | 686.14 | Joback Calculated Property |
| η | [0.0004788; 0.0025212] | Pa×s | [277.52; 511.97] |
|
| η | 0.0025212 | Pa×s | 277.52 | Joback Calculated Property |
| η | 0.0016112 | Pa×s | 316.59 | Joback Calculated Property |
| η | 0.0011362 | Pa×s | 355.67 | Joback Calculated Property |
| η | 0.0008585 | Pa×s | 394.75 | Joback Calculated Property |
| η | 0.0006823 | Pa×s | 433.82 | Joback Calculated Property |
| η | 0.0005633 | Pa×s | 472.89 | Joback Calculated Property |
| η | 0.0004788 | Pa×s | 511.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Oxetanone, 4-octyl («beta»-undecalactone).
Sources
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