- 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
- 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).
- 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° | -40.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -886.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 73.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 157.50 ± 4.50 | kJ/mol | NIST |
| log10WS | -10.82 | Crippen Calculated Property | |
| logPoct/wat | 10.322 | Crippen Calculated Property | |
| McVol | 426.910 | ml/mol | McGowan Calculated Property |
| Pc | 638.98 | 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 | 3112.00 | NIST | |
| Inp | 3115.00 | NIST | |
| Inp | 3140.70 | NIST | |
| Tboil | 939.21 | K | Joback Calculated Property |
| Tc | 1161.87 | K | Joback Calculated Property |
| Tfus | 488.75 | K | Joback Calculated Property |
| Vc | 1.683 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1482.38; 1609.96] | J/mol×K | [939.21; 1161.87] |
|
| Cp,gas | 1482.38 | J/mol×K | 939.21 | Joback Calculated Property |
| Cp,gas | 1507.73 | J/mol×K | 976.32 | Joback Calculated Property |
| Cp,gas | 1531.33 | J/mol×K | 1013.43 | Joback Calculated Property |
| Cp,gas | 1553.27 | J/mol×K | 1050.54 | Joback Calculated Property |
| Cp,gas | 1573.64 | J/mol×K | 1087.65 | Joback Calculated Property |
| Cp,gas | 1592.51 | J/mol×K | 1124.76 | Joback Calculated Property |
| Cp,gas | 1609.96 | J/mol×K | 1161.87 | Joback Calculated Property |
| η | [0.0000197; 0.0005585] | Pa×s | [488.75; 939.21] |
|
| η | 0.0005585 | Pa×s | 488.75 | Joback Calculated Property |
| η | 0.0002206 | Pa×s | 563.83 | Joback Calculated Property |
| η | 0.0001084 | Pa×s | 638.90 | Joback Calculated Property |
| η | 0.0000618 | Pa×s | 713.98 | Joback Calculated Property |
| η | 0.0000393 | Pa×s | 789.06 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 864.13 | Joback Calculated Property |
| η | 0.0000197 | Pa×s | 939.21 | Joback Calculated Property |
| ΔfusH | 109.70 | kJ/mol | 340.20 | NIST |
Similar Compounds
Find more compounds similar to Octacosanoic acid, methyl ester.
Sources
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