- 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
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- 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 |
|---|---|---|---|
| ω | 1.2087 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -912.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 147.10 ± 4.50 | kJ/mol | NIST |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.542 | Crippen Calculated Property | |
| McVol | 398.730 | ml/mol | McGowan Calculated Property |
| Pc | 690.70 | kPa | Joback Calculated Property |
| Inp | [477.80; 2943.00] |
|
|
| 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 | 2941.60 | NIST | |
| Inp | 2929.20 | NIST | |
| Inp | 2943.00 | NIST | |
| Inp | 2918.00 | NIST | |
| Inp | Outlier 477.90 | NIST | |
| Tboil | 633.83 | K | Relay (1.0) Calculated Property |
| Tc | 827.10 | K | Relay (1.0) Calculated Property |
| Tfus | 329.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.574 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1339.55; 1460.05] | J/mol×K | [875.58; 1074.91] |
|
| Cp,gas | 1339.55 | J/mol×K | 875.58 | Joback Calculated Property |
| Cp,gas | 1363.10 | J/mol×K | 908.80 | Joback Calculated Property |
| Cp,gas | 1385.18 | J/mol×K | 942.02 | Joback Calculated Property |
| Cp,gas | 1405.86 | J/mol×K | 975.25 | Joback Calculated Property |
| Cp,gas | 1425.20 | J/mol×K | 1008.47 | Joback Calculated Property |
| Cp,gas | 1443.24 | J/mol×K | 1041.69 | Joback Calculated Property |
| Cp,gas | 1460.05 | J/mol×K | 1074.91 | Joback Calculated Property |
| η | [0.0000234; 0.0009744] | Pa×s | [436.38; 875.58] |
|
| η | 0.0009744 | Pa×s | 436.38 | Joback Calculated Property |
| η | 0.0003351 | Pa×s | 509.58 | Joback Calculated Property |
| η | 0.0001507 | Pa×s | 582.78 | Joback Calculated Property |
| η | 0.0000810 | Pa×s | 655.98 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 729.18 | Joback Calculated Property |
| η | 0.0000329 | Pa×s | 802.38 | Joback Calculated Property |
| η | 0.0000234 | Pa×s | 875.58 | 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 Yaws Handbook of Vapor Pressure
|
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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