- 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).
- Ip : 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 |
| Ip | [1935.00; 1935.00] |
|
|
| Ip | 1935.00 | NIST | |
| Ip | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.62; 572.90] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.68230e+01 | |||
| Coefficient B | 1.15452e+00 | |||
| Coefficient C | -7.46600e-04 | |||
| Coefficient D | 1.91800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 236.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 296.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 349.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 396.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 436.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 472.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 502.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 529.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 552.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 572.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025212; 0.0005451] | Pa×s | [277.52; 480.30] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -9.61055e+00 | |||
| Coefficient B | 1.00671e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 277.52 | |||
| Temperature range, max. | 480.30 | |||
| η | 0.0025212 | Pa×s | 277.52 | Calculated Property |
| η | 0.0019200 | Pa×s | 300.05 | Calculated Property |
| η | 0.0015189 | Pa×s | 322.58 | Calculated Property |
| η | 0.0012389 | Pa×s | 345.11 | Calculated Property |
| η | 0.0010361 | Pa×s | 367.64 | Calculated Property |
| η | 0.0008846 | Pa×s | 390.18 | Calculated Property |
| η | 0.0007684 | Pa×s | 412.71 | Calculated Property |
| η | 0.0006772 | Pa×s | 435.24 | Calculated Property |
| η | 0.0006043 | Pa×s | 457.77 | Calculated Property |
| η | 0.0005451 | Pa×s | 480.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Oxetanone, 4-octyl («beta»-undecalactone).
Sources
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