- InChI
- InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
- InChI Key
- QGBRLVONZXHAKJ-UHFFFAOYSA-N
- Formula
- C21H42O2
- SMILES
- CCCCCCCCCCCCCCCCCCCC(=O)OC
- Molecular Weight1
- 326.56
- CAS
- 1120-28-1
- Other Names
-
- Arachidic acid methyl ester
- Kemester 2050
- Methyl arachidate
- Methyl arachisate
- Methyl aracidate
- Methyl eicosanoate
- Methyl eicosenate
- methyl icosanoate
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔcH°solid | -13263.00 ± 0.40 | kJ/mol | NIST |
| ΔfG° | -107.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -721.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 78.79 | kJ/mol | Heat Ca... |
| ΔvapH° | [116.20; 120.90] | kJ/mol |
|
| ΔvapH° | 120.90 ± 2.50 | kJ/mol | NIST |
| ΔvapH° | 116.40 ± 1.50 | kJ/mol | NIST |
| ΔvapH° | 116.20 | kJ/mol | NIST |
| log10WS | -7.48 | Crippen Calculated Property | |
| logPoct/wat | 7.201 | Crippen Calculated Property | |
| McVol | 314.190 | ml/mol | McGowan Calculated Property |
| Pc | 983.93 | kPa | Joback Calculated Property |
| Inp | [376.90; 2339.00] |
|
|
| Inp | 2295.60 | NIST | |
| Inp | 2296.70 | NIST | |
| Inp | 2297.80 | NIST | |
| Inp | 2299.00 | NIST | |
| Inp | 2300.20 | NIST | |
| Inp | 2301.40 | NIST | |
| Inp | 2302.70 | NIST | |
| Inp | 2312.00 | NIST | |
| Inp | 2314.00 | NIST | |
| Inp | 2314.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Inp | 2339.00 | NIST | |
| Inp | 2310.00 | NIST | |
| Inp | 2310.00 | NIST | |
| Inp | 2311.59 | NIST | |
| Inp | 2302.00 | NIST | |
| Inp | 2329.00 | NIST | |
| Inp | 2332.00 | NIST | |
| Inp | 2311.00 | NIST | |
| Inp | 2311.00 | NIST | |
| Inp | 2317.00 | NIST | |
| Inp | 2311.00 | NIST | |
| Inp | 2335.00 | NIST | |
| Inp | 2305.00 | NIST | |
| Inp | 2333.00 | NIST | |
| Inp | 2309.00 | NIST | |
| Inp | 2313.00 | NIST | |
| Inp | 2307.00 | NIST | |
| Inp | 2307.00 | NIST | |
| Inp | 2312.00 | NIST | |
| Inp | 2324.00 | NIST | |
| Inp | 2329.00 | NIST | |
| Inp | 376.90 | NIST | |
| Inp | 380.64 | NIST | |
| Inp | 390.60 | NIST | |
| Inp | 390.60 | NIST | |
| Inp | 379.61 | NIST | |
| Inp | 378.87 | NIST | |
| Inp | 378.87 | NIST | |
| Inp | 378.87 | NIST | |
| Inp | 2332.00 | NIST | |
| Inp | 376.90 | NIST | |
| Inp | 378.87 | NIST | |
| I | [2617.00; 2646.00] |
|
|
| I | 2617.00 | NIST | |
| I | 2646.00 | NIST | |
| I | 2638.00 | NIST | |
| I | 2640.00 | NIST | |
| I | 2638.00 | NIST | |
| I | 2617.00 | NIST | |
| Tboil | 756.17 | K | Joback Calculated Property |
| Tc | 929.77 | K | Joback Calculated Property |
| Tfus | 398.59 | K | Joback Calculated Property |
| Vc | 1.236 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [969.32; 1075.99] | J/mol×K | [756.17; 929.77] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 960 980 1000 1020 1040 1060 1080 800 850 900 | ||||
| Cp,gas | 969.32 | J/mol×K | 756.17 | Joback Calculated Property |
| Cp,gas | 989.43 | J/mol×K | 785.10 | Joback Calculated Property |
| Cp,gas | 1008.57 | J/mol×K | 814.04 | Joback Calculated Property |
| Cp,gas | 1026.77 | J/mol×K | 842.97 | Joback Calculated Property |
| Cp,gas | 1044.06 | J/mol×K | 871.90 | Joback Calculated Property |
| Cp,gas | 1060.46 | J/mol×K | 900.83 | Joback Calculated Property |
| Cp,gas | 1075.99 | J/mol×K | 929.77 | Joback Calculated Property |
| η | [0.0019591; 0.0048319] | Pa×s | [323.15; 373.15] |
|
|
T(K) Dynamic viscosity (Pa×s) 2.00e-3 2.50e-3 3.00e-3 3.50e-3 4.00e-3 4.50e-3 5.00e-3 340 360 | ||||
| η | 0.0048319 | Pa×s | 323.15 | Densiti... |
| η | 0.0043226 | Pa×s | 328.15 | Densiti... |
| η | 0.0038888 | Pa×s | 333.15 | Densiti... |
| η | 0.0035170 | Pa×s | 338.15 | Densiti... |
| η | 0.0031964 | Pa×s | 343.15 | Densiti... |
| η | 0.0029177 | Pa×s | 348.15 | Densiti... |
| η | 0.0026745 | Pa×s | 353.15 | Densiti... |
| η | 0.0024612 | Pa×s | 358.15 | Densiti... |
| η | 0.0022726 | Pa×s | 363.15 | Densiti... |
| η | 0.0021066 | Pa×s | 368.15 | Densiti... |
| η | 0.0019591 | Pa×s | 373.15 | Densiti... |
| ΔfusH | [73.70; 74.30] | kJ/mol | [319.20; 319.20] |
|
| ΔfusH | 74.30 | kJ/mol | 319.20 | NIST |
| ΔfusH | 73.70 | kJ/mol | 319.20 | NIST |
| ΔfusH | 73.70 | kJ/mol | 319.20 | NIST |
| ΔsubH | 191.00 ± 10.00 | kJ/mol | 314.50 | NIST |
| ΔvapH | [76.90; 116.00] | kJ/mol | [298.00; 498.00] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 80 90 100 110 300 400 500 | ||||
| ΔvapH | 111.10 | kJ/mol | 298.00 | A Compa... |
| ΔvapH | 116.00 | kJ/mol | 298.15 | the vap... |
| ΔvapH | 109.20 | kJ/mol | 350.00 | NIST |
| ΔvapH | 97.80 ± 0.20 | kJ/mol | 406.00 | NIST |
| ΔvapH | 92.40 | kJ/mol | 495.00 | NIST |
| ΔvapH | 76.90 | kJ/mol | 498.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [461.20; 488.70] | K | [0.30; 1.30] |
|
| Tboilr | 461.20 | K | 0.30 | NIST |
| Tboilr | 488.70 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [533.80; 659.59] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.12669e+01 | |||
| Coefficient B | -8.38143e+03 | |||
| Coefficient C | -1.34290e+02 | |||
| Temperature range, min. | 533.80 | |||
| Temperature range, max. | 659.59 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 550 600 650 | ||||
| Pvap | 1.33 | kPa | 533.80 | Calculated Property |
| Pvap | 2.71 | kPa | 547.78 | Calculated Property |
| Pvap | 5.26 | kPa | 561.75 | Calculated Property |
| Pvap | 9.78 | kPa | 575.73 | Calculated Property |
| Pvap | 17.51 | kPa | 589.71 | Calculated Property |
| Pvap | 30.30 | kPa | 603.68 | Calculated Property |
| Pvap | 50.77 | kPa | 617.66 | Calculated Property |
| Pvap | 82.65 | kPa | 631.64 | Calculated Property |
| Pvap | 131.01 | kPa | 645.61 | Calculated Property |
| Pvap | 202.63 | kPa | 659.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Eicosanoic acid, methyl ester.
Sources
- Crippen Method
- Crippen Method
- the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
- A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure
- Heat Capacity Measurements of 13 Methyl Esters of n-Carboxylic Acids from Methyloctanoate to Methyleicosanoate between 5 K and 350 K
- Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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