- InChI
- InChI=1S/C26H52O2/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)28-2/h3-25H2,1-2H3
- InChI Key
- WOPKHAQDUMDJIY-UHFFFAOYSA-N
- Formula
- C26H52O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
C - Molecular Weight1
- 396.69
- CAS
- 55373-89-2
- Other Names
-
- methyl pentacosanoate
- 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).
- 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 | 1.1737 | Relay (1.0) Calculated Property | |
| ΔfG° | -65.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -892.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.00 ± 4.50 | kJ/mol | NIST |
| IE | 10.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.152 | Crippen Calculated Property | |
| McVol | 384.640 | ml/mol | McGowan Calculated Property |
| Pc | 743.26 | kPa | Joback Calculated Property |
| Inp | [464.30; 2822.90] |
|
|
| Inp | 2822.90 | NIST | |
| Inp | 2813.00 | NIST | |
| Inp | 2813.71 | NIST | |
| Inp | 2817.00 | NIST | |
| Inp | 464.30 | NIST | |
| Inp | 464.30 | NIST | |
| Tboil | 627.60 | K | Relay (1.0) Calculated Property |
| Tc | 817.75 | K | Relay (1.0) Calculated Property |
| Tfus | 332.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.518 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1285.37; 1403.78] | J/mol×K | [870.57; 1067.44] |
|
| Cp,gas | 1285.37 | J/mol×K | 870.57 | Joback Calculated Property |
| Cp,gas | 1308.31 | J/mol×K | 903.38 | Joback Calculated Property |
| Cp,gas | 1329.90 | J/mol×K | 936.19 | Joback Calculated Property |
| Cp,gas | 1350.19 | J/mol×K | 969.01 | Joback Calculated Property |
| Cp,gas | 1369.24 | J/mol×K | 1001.82 | Joback Calculated Property |
| Cp,gas | 1387.08 | J/mol×K | 1034.63 | Joback Calculated Property |
| Cp,gas | 1403.78 | J/mol×K | 1067.44 | Joback Calculated Property |
| η | [0.0000311; 0.0008279] | Pa×s | [454.94; 870.57] |
|
| η | 0.0008279 | Pa×s | 454.94 | Joback Calculated Property |
| η | 0.0003338 | Pa×s | 524.21 | Joback Calculated Property |
| η | 0.0001664 | Pa×s | 593.48 | Joback Calculated Property |
| η | 0.0000959 | Pa×s | 662.75 | Joback Calculated Property |
| η | 0.0000614 | Pa×s | 732.03 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 801.30 | Joback Calculated Property |
| η | 0.0000311 | Pa×s | 870.57 | Joback Calculated Property |
| ΔfusH | 92.00 | kJ/mol | 332.20 | NIST |
Similar Compounds
Find more compounds similar to Pentacosanoic acid, methyl ester.
Sources
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