- InChI
- InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
- InChI Key
- QSQLTHHMFHEFIY-UHFFFAOYSA-N
- Formula
- C23H46O2
- SMILES
- CCCCCCCCCCCCCCCCCCCCCC(=O)OC
- Molecular Weight1
- 354.61
- CAS
- 929-77-1
- Other Names
-
- 22:0, Me ester
- Behenic acid, methyl ester
- Kemester 9022
- Methyl behenate
- Methyl behenoate
- Methyl docosanoate
- n-Docosanoic acid methyl ester
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔcH°solid | -14565.00 ± 0.40 | kJ/mol | NIST |
| ΔfG° | -91.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -762.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [126.00; 126.10] | kJ/mol |
|
| ΔvapH° | 126.00 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 126.10 ± 2.50 | kJ/mol | NIST |
| ΔvapH° | 126.10 | kJ/mol | NIST |
| log10WS | -8.31 | Crippen Calculated Property | |
| logPoct/wat | 7.981 | Crippen Calculated Property | |
| McVol | 342.370 | ml/mol | McGowan Calculated Property |
| Pc | 875.32 | kPa | Joback Calculated Property |
| Inp | [404.49; 2538.00] |
|
|
| Inp | 2491.40 | NIST | |
| Inp | 2492.50 | NIST | |
| Inp | 2493.60 | NIST | |
| Inp | 2494.70 | NIST | |
| Inp | 2495.90 | NIST | |
| Inp | 2497.10 | NIST | |
| Inp | 2498.30 | NIST | |
| Inp | 2513.00 | NIST | |
| Inp | 2515.00 | NIST | |
| Inp | 2515.00 | NIST | |
| Inp | 2530.00 | NIST | |
| Inp | 2531.00 | NIST | |
| Inp | 2502.00 | NIST | |
| Inp | 2511.00 | NIST | |
| Inp | 2512.00 | NIST | |
| Inp | 2510.00 | NIST | |
| Inp | 2531.00 | NIST | |
| Inp | 2517.00 | NIST | |
| Inp | 2527.50 | NIST | |
| Inp | 2528.80 | NIST | |
| Inp | 2512.00 | NIST | |
| Inp | 2517.00 | NIST | |
| Inp | 2530.00 | NIST | |
| Inp | 2511.00 | NIST | |
| Inp | 2538.00 | NIST | |
| Inp | 2531.00 | NIST | |
| Inp | 2504.00 | NIST | |
| Inp | 2511.00 | NIST | |
| Inp | 2514.00 | NIST | |
| Inp | 2492.00 | NIST | |
| Inp | 2509.00 | NIST | |
| Inp | 2524.00 | NIST | |
| Inp | 2511.00 | NIST | |
| Inp | Outlier 419.20 | NIST | |
| Inp | Outlier 420.50 | NIST | |
| Inp | Outlier 420.60 | NIST | |
| Inp | Outlier 404.49 | NIST | |
| Inp | 2527.50 | NIST | |
| Tboil | 801.93 | K | Joback Calculated Property |
| Tc | 982.34 | K | Joback Calculated Property |
| Tfus | 421.13 | K | Joback Calculated Property |
| Vc | 1.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1093.53; 1204.49] | J/mol×K | [801.93; 982.34] |
|
| Cp,gas | 1093.53 | J/mol×K | 801.93 | Joback Calculated Property |
| Cp,gas | 1114.64 | J/mol×K | 832.00 | Joback Calculated Property |
| Cp,gas | 1134.65 | J/mol×K | 862.07 | Joback Calculated Property |
| Cp,gas | 1153.61 | J/mol×K | 892.14 | Joback Calculated Property |
| Cp,gas | 1171.55 | J/mol×K | 922.21 | Joback Calculated Property |
| Cp,gas | 1188.50 | J/mol×K | 952.27 | Joback Calculated Property |
| Cp,gas | 1204.49 | J/mol×K | 982.34 | Joback Calculated Property |
| η | [0.0023169; 0.0047493] | Pa×s | [333.15; 373.15] |
|
| η | 0.0047493 | Pa×s | 333.15 | Densiti... |
| η | 0.0042736 | Pa×s | 338.15 | Densiti... |
| η | 0.0038657 | Pa×s | 343.15 | Densiti... |
| η | 0.0035133 | Pa×s | 348.15 | Densiti... |
| η | 0.0032066 | Pa×s | 353.15 | Densiti... |
| η | 0.0029392 | Pa×s | 358.15 | Densiti... |
| η | 0.0027087 | Pa×s | 363.15 | Densiti... |
| η | 0.0025020 | Pa×s | 368.15 | Densiti... |
| η | 0.0023169 | Pa×s | 373.15 | Densiti... |
| ΔfusH | [29.20; 83.50] | kJ/mol | [324.99; 327.20] |
|
| ΔfusH | 29.20 | kJ/mol | 324.99 | NIST |
| ΔfusH | 82.30 | kJ/mol | 325.00 | NIST |
| ΔfusH | 83.50 | kJ/mol | 327.20 | NIST |
| ΔfusH | 82.30 | kJ/mol | 327.20 | NIST |
| ΔvapH | [81.00; 127.50] | kJ/mol | [298.15; 503.00] |
|
| ΔvapH | 127.50 | kJ/mol | 298.15 | the vap... |
| ΔvapH | 81.00 | kJ/mol | 498.00 | NIST |
| ΔvapH | 98.20 | kJ/mol | 503.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [574.33; 678.28] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.53807e+01 | |||
| Coefficient B | -1.04203e+04 | |||
| Coefficient C | -1.59063e+02 | |||
| Temperature range, min. | 574.33 | |||
| Temperature range, max. | 678.28 | |||
| Pvap | 1.33 | kPa | 574.33 | Calculated Property |
| Pvap | 2.63 | kPa | 585.88 | Calculated Property |
| Pvap | 5.00 | kPa | 597.43 | Calculated Property |
| Pvap | 9.21 | kPa | 608.98 | Calculated Property |
| Pvap | 16.44 | kPa | 620.53 | Calculated Property |
| Pvap | 28.54 | kPa | 632.08 | Calculated Property |
| Pvap | 48.25 | kPa | 643.63 | Calculated Property |
| Pvap | 79.60 | kPa | 655.18 | Calculated Property |
| Pvap | 128.36 | kPa | 666.73 | Calculated Property |
| Pvap | 202.65 | kPa | 678.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Docosanoic acid, methyl ester.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Phase behaviour of high molecular mass methyl esters in supercritical ethane
- the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
- 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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