- 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
- ω : Acentric Factor.
- 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).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.6569 | Relay (1.0) Calculated Property | |
| ΔfG° | 136.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -549.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.32 | 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 |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.305 | Crippen Calculated Property | |
| McVol | 296.990 | ml/mol | McGowan Calculated Property |
| Pc | 1095.72 | 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 | 598.03 | K | Relay (1.0) Calculated Property |
| Tc | 779.52 | K | Relay (1.0) Calculated Property |
| Tfus | 278.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.013 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 118.30 | kJ/mol | 298.15 | the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.30; 988.52] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.75200e+01 | |||
| Coefficient B | 2.02404e+00 | |||
| Coefficient C | -1.35920e-03 | |||
| Coefficient D | 3.71200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 411.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 514.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 605.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 685.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 754.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 814.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 867.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 912.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 952.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 988.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017349; 0.0000533] | Pa×s | [348.44; 657.44] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.37684e+01 | |||
| Coefficient B | 2.58248e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 348.44 | |||
| Temperature range, max. | 657.44 | |||
| η | 0.0017349 | Pa×s | 348.44 | Calculated Property |
| η | 0.0008924 | Pa×s | 382.77 | Calculated Property |
| η | 0.0005121 | Pa×s | 417.11 | Calculated Property |
| η | 0.0003198 | Pa×s | 451.44 | Calculated Property |
| η | 0.0002134 | Pa×s | 485.77 | Calculated Property |
| η | 0.0001503 | Pa×s | 520.11 | Calculated Property |
| η | 0.0001105 | Pa×s | 554.44 | Calculated Property |
| η | 0.0000842 | Pa×s | 588.77 | Calculated Property |
| η | 0.0000661 | Pa×s | 623.11 | Calculated Property |
| η | 0.0000533 | Pa×s | 657.44 | Calculated Property |
Similar Compounds
Find more compounds similar to 5,8,11,14-Eicosatetraenoic acid, methyl ester, (all-Z)-.
Sources
- Cheméo Relay (1.0)
- 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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