- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [876.30; 978.65] | J/mol×K | [719.58; 891.21] | 
|
| Cp,gas | 876.30 | J/mol×K | 719.58 | Joback Calculated Property |
| Cp,gas | 895.58 | J/mol×K | 748.19 | Joback Calculated Property |
| Cp,gas | 913.92 | J/mol×K | 776.79 | Joback Calculated Property |
| Cp,gas | 931.37 | J/mol×K | 805.40 | Joback Calculated Property |
| Cp,gas | 947.96 | J/mol×K | 834.00 | Joback Calculated Property |
| Cp,gas | 963.70 | J/mol×K | 862.61 | Joback Calculated Property |
| Cp,gas | 978.65 | J/mol×K | 891.21 | Joback Calculated Property |
| η | [0.0000566; 0.0023028] | Pa×s | [352.41; 719.58] |
|
| η | 0.0023028 | Pa×s | 352.41 | Joback Calculated Property |
| η | 0.0007863 | Pa×s | 413.60 | Joback Calculated Property |
| η | 0.0003541 | Pa×s | 474.80 | Joback Calculated Property |
| η | 0.0001914 | Pa×s | 535.99 | Joback Calculated Property |
| η | 0.0001173 | Pa×s | 597.19 | Joback Calculated Property |
| η | 0.0000788 | Pa×s | 658.38 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 719.58 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 491.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to (E)-9-Octadecenoic acid ethyl ester.
Sources
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