- InChI
- InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5-,9-8-,12-11-
- InChI Key
- JYYFMIOPGOFNPK-AGRJPVHOSA-N
- Formula
- C20H34O2
- SMILES
- CCC=CCC=CCC=CCCCCCCCC(=O)OCC
- Molecular Weight1
- 306.48
- CAS
- 1191-41-9
- Other Names
-
- Linolenic acid, ethyl ester
- Ethyl cis,cis,cis-9,12,15-octadecatrienoate
- Ethyl linolenate
- Ethyl «alpha»-linolenate
- Ethyl (Z,Z,Z)-9,12,15-octadecatrienoate
- 9,12,15-Octadecatrienoic acid, ethyl ester, (9Z,12Z,15Z)-
- ethyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔfG° | 124.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.14 | kJ/mol | Joback Calculated Property |
| log10WS | -6.62 | Crippen Calculated Property | |
| logPoct/wat | 6.139 | Crippen Calculated Property | |
| McVol | 287.200 | ml/mol | McGowan Calculated Property |
| Pc | 1160.08 | kPa | Joback Calculated Property |
| Inp | [2145.00; 2215.00] |
|
|
| Inp | 2173.00 | NIST | |
| Inp | 2198.00 | NIST | |
| Inp | 2169.00 | NIST | |
| Inp | 2166.00 | NIST | |
| Inp | 2145.00 | NIST | |
| Inp | 2145.00 | NIST | |
| Inp | 2155.00 | NIST | |
| Inp | 2153.00 | NIST | |
| Inp | 2145.00 | NIST | |
| Inp | Outlier 2215.00 | NIST | |
| Inp | 2159.00 | NIST | |
| Inp | Outlier 2214.00 | NIST | |
| Inp | 2185.00 | NIST | |
| Inp | 2178.00 | NIST | |
| Inp | 2169.00 | NIST | |
| Inp | 2165.00 | NIST | |
| Inp | 2155.00 | NIST | |
| Inp | 2146.00 | NIST | |
| Inp | 2173.00 | NIST | |
| Inp | 2145.00 | NIST | |
| I | [2542.00; 2621.00] |
|
|
| I | 2567.00 | NIST | |
| I | 2591.00 | NIST | |
| I | 2579.00 | NIST | |
| I | Outlier 2542.00 | NIST | |
| I | 2555.00 | NIST | |
| I | 2596.00 | NIST | |
| I | 2596.00 | NIST | |
| I | 2621.00 | NIST | |
| I | 2578.00 | NIST | |
| I | 2590.00 | NIST | |
| I | 2613.00 | NIST | |
| I | 2613.00 | NIST | |
| I | 2567.00 | NIST | |
| I | 2596.00 | NIST | |
| I | 2621.00 | NIST | |
| Tboil | 745.77 | K | Joback Calculated Property |
| Tc | 927.85 | K | Joback Calculated Property |
| Tfus | 372.08 | K | Joback Calculated Property |
| Vc | 1.119 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [838.59; 935.36] | J/mol×K | [745.77; 927.85] |
|
| Cp,gas | 838.59 | J/mol×K | 745.77 | Joback Calculated Property |
| Cp,gas | 856.73 | J/mol×K | 776.12 | Joback Calculated Property |
| Cp,gas | 874.01 | J/mol×K | 806.46 | Joback Calculated Property |
| Cp,gas | 890.45 | J/mol×K | 836.81 | Joback Calculated Property |
| Cp,gas | 906.13 | J/mol×K | 867.15 | Joback Calculated Property |
| Cp,gas | 921.08 | J/mol×K | 897.50 | Joback Calculated Property |
| Cp,gas | 935.36 | J/mol×K | 927.85 | Joback Calculated Property |
| η | [0.0000476; 0.0013631] | Pa×s | [372.08; 745.77] |
|
| η | 0.0013631 | Pa×s | 372.08 | Joback Calculated Property |
| η | 0.0005220 | Pa×s | 434.36 | Joback Calculated Property |
| η | 0.0002543 | Pa×s | 496.64 | Joback Calculated Property |
| η | 0.0001454 | Pa×s | 558.92 | Joback Calculated Property |
| η | 0.0000930 | Pa×s | 621.21 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 683.49 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 745.77 | Joback Calculated Property |
| ΔvapH | 72.70 | kJ/mol | 469.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 440.20 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to 9,12,15-Octadecatrienoic acid, ethyl ester, (Z,Z,Z)-.
Sources
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