- InChI
- InChI=1S/C27H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h3-26H2,1-2H3
- InChI Key
- VHUJBYYFFWDLNM-UHFFFAOYSA-N
- Formula
- C27H54O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)
OC - Molecular Weight1
- 410.72
- CAS
- 5802-82-4
- Other Names
-
- 26:0, Me ester
- Cerotic acid methyl ester
- Methyl hexacosanoate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -57.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -845.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 147.10 ± 4.50 | kJ/mol | NIST |
| log10WS | -9.99 | Crippen Calculated Property | |
| logPoct/wat | 9.542 | Crippen Calculated Property | |
| McVol | 398.730 | ml/mol | McGowan Calculated Property |
| Pc | 705.83 | kPa | Joback Calculated Property |
| Inp | [477.80; 2943.00] |
|
|
| Inp | 2941.60 | NIST | |
| Inp | 2929.20 | NIST | |
| Inp | Outlier 477.90 | NIST | |
| Inp | 2941.60 | NIST | |
| Inp | 2934.00 | NIST | |
| Inp | 2914.00 | NIST | |
| Inp | 2913.00 | NIST | |
| Inp | 2904.00 | NIST | |
| Inp | 2929.20 | NIST | |
| Inp | 2943.00 | NIST | |
| Inp | 2915.05 | NIST | |
| Inp | 2940.00 | NIST | |
| Inp | 2919.00 | NIST | |
| Inp | 2918.00 | NIST | |
| Inp | 2903.00 | NIST | |
| Inp | Outlier 477.90 | NIST | |
| Inp | Outlier 477.80 | NIST | |
| Inp | 2918.00 | NIST | |
| Inp | 2943.00 | NIST | |
| Tboil | 893.45 | K | Joback Calculated Property |
| Tc | 1097.77 | K | Joback Calculated Property |
| Tfus | 466.21 | K | Joback Calculated Property |
| Vc | 1.571 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1350.54; 1471.80] | J/mol×K | [893.45; 1097.77] |
|
| Cp,gas | 1350.54 | J/mol×K | 893.45 | Joback Calculated Property |
| Cp,gas | 1374.21 | J/mol×K | 927.50 | Joback Calculated Property |
| Cp,gas | 1396.42 | J/mol×K | 961.56 | Joback Calculated Property |
| Cp,gas | 1417.22 | J/mol×K | 995.61 | Joback Calculated Property |
| Cp,gas | 1436.68 | J/mol×K | 1029.66 | Joback Calculated Property |
| Cp,gas | 1454.85 | J/mol×K | 1063.71 | Joback Calculated Property |
| Cp,gas | 1471.80 | J/mol×K | 1097.77 | Joback Calculated Property |
| η | [0.0000268; 0.0007281] | Pa×s | [466.21; 893.45] |
|
| η | 0.0007281 | Pa×s | 466.21 | Joback Calculated Property |
| η | 0.0002915 | Pa×s | 537.42 | Joback Calculated Property |
| η | 0.0001446 | Pa×s | 608.62 | Joback Calculated Property |
| η | 0.0000831 | Pa×s | 679.83 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 751.04 | Joback Calculated Property |
| η | 0.0000366 | Pa×s | 822.24 | Joback Calculated Property |
| η | 0.0000268 | Pa×s | 893.45 | Joback Calculated Property |
| ΔfusH | 101.30 | kJ/mol | 336.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [637.20; 716.25] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 3.49900e+01 | |||
| Coefficient B | -1.62052e+04 | |||
| Coefficient C | -1.70222e+02 | |||
| Temperature range, min. | 637.20 | |||
| Temperature range, max. | 716.25 | |||
| Pvap | 1.33 | kPa | 637.20 | Calculated Property |
| Pvap | 2.53 | kPa | 645.98 | Calculated Property |
| Pvap | 4.69 | kPa | 654.77 | Calculated Property |
| Pvap | 8.51 | kPa | 663.55 | Calculated Property |
| Pvap | 15.12 | kPa | 672.33 | Calculated Property |
| Pvap | 26.33 | kPa | 681.12 | Calculated Property |
| Pvap | 45.00 | kPa | 689.90 | Calculated Property |
| Pvap | 75.57 | kPa | 698.68 | Calculated Property |
| Pvap | 124.75 | kPa | 707.47 | Calculated Property |
| Pvap | 202.66 | kPa | 716.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexacosanoic acid, methyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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