- InChI
- InChI=1S/C11H20O/c12-11-9-7-5-3-1-2-4-6-8-10-11/h1-10H2
- InChI Key
- UPOSSYJVWXLPTA-UHFFFAOYSA-N
- Formula
- C11H20O
- SMILES
- O=C1CCCCCCCCCC1
- Molecular Weight1
- 168.28
- CAS
- 878-13-7
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°liquid | -6800.70 ± 2.00 | kJ/mol | NIST |
| ΔfG° | -109.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.00 ± 2.20 | kJ/mol | NIST |
| ΔfH°liquid | -386.40 ± 2.10 | kJ/mol | NIST |
| ΔfusH° | 4.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [64.30; 64.35] | kJ/mol |
|
| ΔvapH° | 64.35 ± 0.63 | kJ/mol | NIST |
| ΔvapH° | 64.30 ± 0.60 | kJ/mol | NIST |
| log10WS | -3.60 | Crippen Calculated Property | |
| logPoct/wat | 3.470 | Crippen Calculated Property | |
| McVol | 156.560 | ml/mol | McGowan Calculated Property |
| Pc | 2841.41 | kPa | Joback Calculated Property |
| Inp | [1465.40; 1488.50] |
|
|
| Inp | 1474.40 | NIST | |
| Inp | 1465.40 | NIST | |
| Inp | 1471.90 | NIST | |
| Inp | 1483.90 | NIST | |
| Inp | 1488.50 | NIST | |
| Inp | 1474.40 | NIST | |
| Tboil | 520.30 ± 1.50 | K | NIST |
| Tc | 816.39 | K | Joback Calculated Property |
| Tfus | 275.97 | K | Joback Calculated Property |
| Vc | 0.552 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.21; 519.37] | J/mol×K | [564.47; 816.39] |
|
| Cp,gas | 392.21 | J/mol×K | 564.47 | Joback Calculated Property |
| Cp,gas | 417.31 | J/mol×K | 606.46 | Joback Calculated Property |
| Cp,gas | 440.92 | J/mol×K | 648.44 | Joback Calculated Property |
| Cp,gas | 462.97 | J/mol×K | 690.43 | Joback Calculated Property |
| Cp,gas | 483.43 | J/mol×K | 732.42 | Joback Calculated Property |
| Cp,gas | 502.25 | J/mol×K | 774.41 | Joback Calculated Property |
| Cp,gas | 519.37 | J/mol×K | 816.39 | Joback Calculated Property |
| ΔfusH | [23.00; 23.00] | kJ/mol | [287.70; 287.70] |
|
| ΔfusH | 23.00 | kJ/mol | 287.70 | NIST |
| ΔfusH | 23.00 | kJ/mol | 287.70 | NIST |
| ΔvapH | [51.80; 60.30] | kJ/mol | [398.00; 474.50] |
|
| ΔvapH | 60.30 | kJ/mol | 398.00 | NIST |
| ΔvapH | 51.80 | kJ/mol | 474.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 379.20 | K | 0.50 | NIST |
Similar Compounds
Find more compounds similar to Cycloundecanone.
Sources
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