- InChI
- InChI=1S/C11H20O3/c1-3-7-10(12)8-5-6-9-11(13)14-4-2/h3-9H2,1-2H3
- InChI Key
- NXLGAXQMRZRNRB-UHFFFAOYSA-N
- Formula
- C11H20O3
- SMILES
- CCCC(=O)CCCCC(=O)OCC
- Molecular Weight1
- 200.28
- Other Names
-
- ethyl 6-oxononanoate
- 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).
- 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).
- 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 | 0.6602 | Relay (1.0) Calculated Property | |
| ΔfG° | -397.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -716.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.479 | Crippen Calculated Property | |
| McVol | 174.860 | ml/mol | McGowan Calculated Property |
| Pc | 2054.89 | kPa | Joback Calculated Property |
| Tboil | 519.11 | K | Relay (1.0) Calculated Property |
| Tc | 695.62 | K | Relay (1.0) Calculated Property |
| Tfus | 277.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.666 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.10; 583.96] | 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 | 2.56570e+01 | |||
| Coefficient B | 9.66040e-01 | |||
| Coefficient C | -4.61300e-04 | |||
| Coefficient D | 5.35600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 256.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 312.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 362.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 408.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 448.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 484.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 516.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 542.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 565.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 583.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038044; 0.0002682] | Pa×s | [305.99; 518.10] |
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 | -1.20493e+01 | |||
| Coefficient B | 1.98211e+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. | 305.99 | |||
| Temperature range, max. | 518.10 | |||
| η | 0.0038044 | Pa×s | 305.99 | Calculated Property |
| η | 0.0023939 | Pa×s | 329.56 | Calculated Property |
| η | 0.0016024 | Pa×s | 353.13 | Calculated Property |
| η | 0.0011278 | Pa×s | 376.69 | Calculated Property |
| η | 0.0008274 | Pa×s | 400.26 | Calculated Property |
| η | 0.0006282 | Pa×s | 423.83 | Calculated Property |
| η | 0.0004910 | Pa×s | 447.40 | Calculated Property |
| η | 0.0003934 | Pa×s | 470.97 | Calculated Property |
| η | 0.0003219 | Pa×s | 494.54 | Calculated Property |
| η | 0.0002682 | Pa×s | 518.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonanoic acid, 6-oxo-, ethyl ester.
Sources
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