- InChI
- InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8+,12-11+
- InChI Key
- FMMOOAYVCKXGMF-MVKOLZDDSA-N
- Formula
- C20H36O2
- SMILES
- CCCCCC=CCC=CCCCCCCCC(=O)OCC
- Molecular Weight1
- 308.50
- CAS
- 7619-08-1
- Other Names
-
- Ethyl-9,12-octadecadienoate
- Ethyl octadec-9,12-dienoate
- Ethyl octa-9,12-decadienoate
- 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).
- 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).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 44.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -466.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.19 | kJ/mol | Joback Calculated Property |
| log10WS | -6.76 | Crippen Calculated Property | |
| logPoct/wat | 6.363 | Crippen Calculated Property | |
| McVol | 291.500 | ml/mol | McGowan Calculated Property |
| Pc | 1120.05 | kPa | Joback Calculated Property |
| I | [2515.00; 2560.00] |
|
|
| I | 2560.00 | NIST | |
| I | 2527.00 | NIST | |
| I | 2515.00 | NIST | |
| I | 2560.00 | NIST | |
| I | 2527.00 | NIST | |
| Tboil | 741.61 | K | Joback Calculated Property |
| Tc | 919.70 | K | Joback Calculated Property |
| Tfus | 377.16 | K | Joback Calculated Property |
| Vc | 1.139 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [862.13; 961.38] | J/mol×K | [741.61; 919.70] |
|
| Cp,gas | 862.13 | J/mol×K | 741.61 | Joback Calculated Property |
| Cp,gas | 880.77 | J/mol×K | 771.29 | Joback Calculated Property |
| Cp,gas | 898.51 | J/mol×K | 800.97 | Joback Calculated Property |
| Cp,gas | 915.41 | J/mol×K | 830.65 | Joback Calculated Property |
| Cp,gas | 931.49 | J/mol×K | 860.34 | Joback Calculated Property |
| Cp,gas | 946.80 | J/mol×K | 890.02 | Joback Calculated Property |
| Cp,gas | 961.38 | J/mol×K | 919.70 | Joback Calculated Property |
| η | [0.0000550; 0.0014552] | Pa×s | [377.16; 741.61] |
|
| η | 0.0014552 | Pa×s | 377.16 | Joback Calculated Property |
| η | 0.0005772 | Pa×s | 437.90 | Joback Calculated Property |
| η | 0.0002868 | Pa×s | 498.64 | Joback Calculated Property |
| η | 0.0001659 | Pa×s | 559.38 | Joback Calculated Property |
| η | 0.0001068 | Pa×s | 620.13 | Joback Calculated Property |
| η | 0.0000744 | Pa×s | 680.87 | Joback Calculated Property |
| η | 0.0000550 | Pa×s | 741.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,12-Octadecadienoic acid, ethyl ester.
Sources
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