- InChI
- InChI=1S/C29H58O2/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(30)31-2/h3-28H2,1-2H3
- InChI Key
- ZKHOYAKAFALNQD-UHFFFAOYSA-N
- Formula
- C29H58O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=
O)OC - Molecular Weight1
- 438.77
- CAS
- 55682-92-3
- Other Names
-
- Methyl octacosanoate
- Montanic acid, methyl ester
- 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 | 1.2788 | Relay (1.0) Calculated Property | |
| ΔfG° | -117.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -953.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 157.50 ± 4.50 | kJ/mol | NIST |
| IE | 10.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.322 | Crippen Calculated Property | |
| McVol | 426.910 | ml/mol | McGowan Calculated Property |
| Pc | 625.94 | kPa | Joback Calculated Property |
| Inp | [3108.00; 3144.00] |
|
|
| Inp | 3115.00 | NIST | |
| Inp | 3125.00 | NIST | |
| Inp | 3140.70 | NIST | |
| Inp | 3144.00 | NIST | |
| Inp | 3116.12 | NIST | |
| Inp | 3112.00 | NIST | |
| Inp | 3108.00 | NIST | |
| Inp | 3140.70 | NIST | |
| Inp | 3112.00 | NIST | |
| Inp | 3115.00 | NIST | |
| Tboil | 646.26 | K | Relay (1.0) Calculated Property |
| Tc | 839.37 | K | Relay (1.0) Calculated Property |
| Tfus | 332.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.684 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 109.70 | kJ/mol | 340.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [637.02; 1523.58] | 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 | 1.93600e+00 | |||
| Coefficient B | 2.70404e+00 | |||
| Coefficient C | -1.45920e-03 | |||
| Coefficient D | 2.76800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 637.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 788.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 924.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1045.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1153.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1249.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1333.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1406.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1469.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1523.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007317; 0.0000308] | Pa×s | [458.92; 796.67] |
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 | -1.46960e+01 | |||
| Coefficient B | 3.43080e+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. | 458.92 | |||
| Temperature range, max. | 796.67 | |||
| η | 0.0007317 | Pa×s | 458.92 | Calculated Property |
| η | 0.0004158 | Pa×s | 496.45 | Calculated Property |
| η | 0.0002558 | Pa×s | 533.97 | Calculated Property |
| η | 0.0001678 | Pa×s | 571.50 | Calculated Property |
| η | 0.0001159 | Pa×s | 609.03 | Calculated Property |
| η | 0.0000836 | Pa×s | 646.56 | Calculated Property |
| η | 0.0000625 | Pa×s | 684.08 | Calculated Property |
| η | 0.0000481 | Pa×s | 721.61 | Calculated Property |
| η | 0.0000380 | Pa×s | 759.14 | Calculated Property |
| η | 0.0000308 | Pa×s | 796.67 | Calculated Property |
Similar Compounds
Find more compounds similar to Octacosanoic acid, methyl ester.
Sources
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