- InChI
- InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
- InChI Key
- QWDCYFDDFPWISL-JEBPEJKESA-N
- Formula
- C21H32O2
- SMILES
-
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
C - Molecular Weight1
- 316.48
- CAS
- 2734-47-6
- Other Names
-
- Methyl Z,Z,Z,Z,Z 5,8,11,14,17-eicosapentaeneoate
- cis-5,8,11,14,17-Eicosapentaenoic acid, methyl ester
- 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.
- 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° | 293.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.00 ± 0.30 | kJ/mol | NIST |
| log10WS | -6.74 | Crippen Calculated Property | |
| logPoct/wat | 6.081 | Crippen Calculated Property | |
| McVol | 292.690 | ml/mol | McGowan Calculated Property |
| Pc | 1166.43 | kPa | Joback Calculated Property |
| Inp | 2282.30 | NIST | |
| Tboil | 776.97 | K | Joback Calculated Property |
| Tc | 968.10 | K | Joback Calculated Property |
| Tfus | 373.19 | K | Joback Calculated Property |
| Vc | 1.135 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [848.88; 943.52] | J/mol×K | [776.97; 968.10] | 
|
| Cp,gas | 848.88 | J/mol×K | 776.97 | Joback Calculated Property |
| Cp,gas | 866.46 | J/mol×K | 808.82 | Joback Calculated Property |
| Cp,gas | 883.21 | J/mol×K | 840.68 | Joback Calculated Property |
| Cp,gas | 899.21 | J/mol×K | 872.53 | Joback Calculated Property |
| Cp,gas | 914.55 | J/mol×K | 904.39 | Joback Calculated Property |
| Cp,gas | 929.29 | J/mol×K | 936.24 | Joback Calculated Property |
| Cp,gas | 943.52 | J/mol×K | 968.10 | Joback Calculated Property |
| η | [0.0000315; 0.0010789] | Pa×s | [373.19; 776.97] |
|
| η | 0.0010789 | Pa×s | 373.19 | Joback Calculated Property |
| η | 0.0003818 | Pa×s | 440.49 | Joback Calculated Property |
| η | 0.0001780 | Pa×s | 507.78 | Joback Calculated Property |
| η | 0.0000992 | Pa×s | 575.08 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 642.38 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 709.67 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 776.97 | Joback Calculated Property |
| ΔvapH | 121.00 | kJ/mol | 298.15 | the vap... |
Similar Compounds
Find more compounds similar to 5,8,11,14,17-Eicosapentaenoic acid, methyl ester, (all-Z)-.
Sources
- Crippen Method
- Crippen Method
- the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
- Joback Method
- McGowan Method
- NIST Webbook
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