- 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° | -142.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -892.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.47 | 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 | 726.92 | 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 | 820.76 | K | Relay (1.0) Calculated Property |
| Tfus | 327.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.519 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 92.00 | kJ/mol | 332.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.38; 1368.80] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.66300e+00 | |||
| Coefficient B | 2.41904e+00 | |||
| Coefficient C | -1.29600e-03 | |||
| Coefficient D | 2.41100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 573.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 708.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 830.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 940.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1037.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1123.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1198.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1263.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1320.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1368.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011206; 0.0000504] | Pa×s | [425.11; 731.49] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.41998e+01 | |||
| Coefficient B | 3.14832e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 425.11 | |||
| Temperature range, max. | 731.49 | |||
| η | 0.0011206 | Pa×s | 425.11 | Calculated Property |
| η | 0.0006471 | Pa×s | 459.15 | Calculated Property |
| η | 0.0004031 | Pa×s | 493.19 | Calculated Property |
| η | 0.0002669 | Pa×s | 527.24 | Calculated Property |
| η | 0.0001858 | Pa×s | 561.28 | Calculated Property |
| η | 0.0001348 | Pa×s | 595.32 | Calculated Property |
| η | 0.0001013 | Pa×s | 629.36 | Calculated Property |
| η | 0.0000784 | Pa×s | 663.40 | Calculated Property |
| η | 0.0000622 | Pa×s | 697.45 | Calculated Property |
| η | 0.0000504 | Pa×s | 731.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentacosanoic acid, methyl ester.
Sources
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