- InChI
- InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11+
- InChI Key
- LVGKNOAMLMIIKO-VAWYXSNFSA-N
- Formula
- C20H38O2
- SMILES
- CCCCCCCCC=CCCCCCCCC(=O)OCC
- Molecular Weight1
- 310.51
- CAS
- 6114-18-7
- Other Names
-
- 9-Octadecenoic acid, ethyl ester, (E)-
- Ethyl 9-octadecenoate, (E)-
- Ethyl (9E)-9-octadecenoate
- Elaidic acid, ethyl ester
- Ethyl elaidate
- trans-9-Octadecenoic acid, ethyl ester
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.8812 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -12528.00 ± 12.00 | kJ/mol | NIST |
| ΔfG° | -112.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.587 | Crippen Calculated Property | |
| McVol | 295.800 | ml/mol | McGowan Calculated Property |
| Pc | 1053.46 | kPa | Joback Calculated Property |
| Inp | 2174.20 | NIST | |
| I | 2476.00 | NIST | |
| Tboil | 595.11 | K | Relay (1.0) Calculated Property |
| Tc | 777.53 | K | Relay (1.0) Calculated Property |
| Tfus | 274.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.127 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 491.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.09; 1028.67] | 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 | -4.06500e+00 | |||
| Coefficient B | 1.86904e+00 | |||
| Coefficient C | -1.05340e-03 | |||
| Coefficient D | 2.17100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 432.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 534.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 627.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 709.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 781.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 845.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 901.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 950.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 992.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1028.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023028; 0.0000977] | Pa×s | [352.41; 623.85] |
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 | -1.33367e+01 | |||
| Coefficient B | 2.55960e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 352.41 | |||
| Temperature range, max. | 623.85 | |||
| η | 0.0023028 | Pa×s | 352.41 | Calculated Property |
| η | 0.0012989 | Pa×s | 382.57 | Calculated Property |
| η | 0.0007966 | Pa×s | 412.73 | Calculated Property |
| η | 0.0005222 | Pa×s | 442.89 | Calculated Property |
| η | 0.0003613 | Pa×s | 473.05 | Calculated Property |
| η | 0.0002612 | Pa×s | 503.21 | Calculated Property |
| η | 0.0001959 | Pa×s | 533.37 | Calculated Property |
| η | 0.0001515 | Pa×s | 563.53 | Calculated Property |
| η | 0.0001203 | Pa×s | 593.69 | Calculated Property |
| η | 0.0000977 | Pa×s | 623.85 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-9-Octadecenoic acid ethyl ester.
Sources
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