- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3419 | Relay (1.0) Calculated Property | |
| 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 |
| ΔvapH° | 64.35 ± 0.63 | kJ/mol | NIST |
| ΔvapH° | 64.30 ± 0.60 | kJ/mol | NIST |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) 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; 520.30] | K |
|
| Tboil | 520.30 ± 1.50 | K | NIST |
| Tboil | 520.30 ± 1.50 | K | NIST |
| Tc | 761.68 | K | Relay (1.0) Calculated Property |
| Tfus | 319.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.520 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.36; 573.27] | 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 | -6.78300e+01 | |||
| Coefficient B | 9.81100e-01 | |||
| Coefficient C | -2.35000e-04 | |||
| Coefficient D | -1.05000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 180.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 245.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 305.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 360.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 411.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 456.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 494.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 527.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 553.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 573.27 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cycloundecanone.
Sources
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