- InChI
- InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
- InChI Key
- OFIDNKMQBYGNIW-ZKWNWVNESA-N
- Formula
- C21H34O2
- SMILES
- CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC
- Molecular Weight1
- 318.49
- CAS
- 2566-89-4
- Other Names
-
- 5,8,11,14-Eicosatetraenoic acid, methyl ester
- 5,8,11,14-Eicosatetraenoic acid, methyl ester, cis-
- Arachidonic acid methyl ester
- Methyl Z,Z,Z,Z 5,8,11,14-eicosatetraeneoate
- Methyl all-cis-5,8,11,14-eicosatetraenoate
- Methyl arachidonate
- cis-5,8,11,14-Eicosatetraenoic acid, methyl ester
- methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
- 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° | 212.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [118.30; 122.60] | kJ/mol |
|
| ΔvapH° | 118.30 | kJ/mol | NIST |
| ΔvapH° | 122.60 ± 1.60 | kJ/mol | NIST |
| log10WS | -6.89 | Crippen Calculated Property | |
| logPoct/wat | 6.305 | Crippen Calculated Property | |
| McVol | 296.990 | ml/mol | McGowan Calculated Property |
| Pc | 1126.08 | kPa | Joback Calculated Property |
| Inp | [2231.00; 2274.40] |
|
|
| Inp | 2231.00 | NIST | |
| Inp | 2231.00 | NIST | |
| Inp | 2274.40 | NIST | |
| Inp | 2231.00 | NIST | |
| Tboil | 772.81 | K | Joback Calculated Property |
| Tc | 959.66 | K | Joback Calculated Property |
| Tfus | 378.27 | K | Joback Calculated Property |
| Vc | 1.155 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [873.42; 970.07] | J/mol×K | [772.81; 959.66] |
|
| Cp,gas | 873.42 | J/mol×K | 772.81 | Joback Calculated Property |
| Cp,gas | 891.46 | J/mol×K | 803.95 | Joback Calculated Property |
| Cp,gas | 908.65 | J/mol×K | 835.09 | Joback Calculated Property |
| Cp,gas | 925.03 | J/mol×K | 866.24 | Joback Calculated Property |
| Cp,gas | 940.69 | J/mol×K | 897.38 | Joback Calculated Property |
| Cp,gas | 955.68 | J/mol×K | 928.52 | Joback Calculated Property |
| Cp,gas | 970.07 | J/mol×K | 959.66 | Joback Calculated Property |
| η | [0.0000363; 0.0011500] | Pa×s | [378.27; 772.81] |
|
| η | 0.0011500 | Pa×s | 378.27 | Joback Calculated Property |
| η | 0.0004220 | Pa×s | 444.03 | Joback Calculated Property |
| η | 0.0002005 | Pa×s | 509.78 | Joback Calculated Property |
| η | 0.0001129 | Pa×s | 575.54 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 641.30 | Joback Calculated Property |
| η | 0.0000494 | Pa×s | 707.05 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 772.81 | Joback Calculated Property |
| ΔvapH | 118.30 | kJ/mol | 298.15 | the vap... |
Similar Compounds
Find more compounds similar to 5,8,11,14-Eicosatetraenoic 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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