- InChI
- InChI=1S/C44H88O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43H2,1-2H3
- InChI Key
- NJIMZDGGLTUCPX-UHFFFAOYSA-N
- Formula
- C44H88O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC
CCCCCCCCCCCCCCCCCCC - Molecular Weight1
- 649.17
- CAS
- 17671-27-1
- Other Names
-
- Behenyl behenate
- Starfol BB
- Docosyl docosanoate
- Docosanyl docosanoate
- Docosyl behenate
- Pelemol BB
- Kester Wax 72
- 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).
- 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° | 85.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1196.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 112.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.69 | kJ/mol | Joback Calculated Property |
| log10WS | -17.10 | Crippen Calculated Property | |
| logPoct/wat | 16.173 | Crippen Calculated Property | |
| McVol | 638.260 | ml/mol | McGowan Calculated Property |
| Pc | 343.44 | kPa | Joback Calculated Property |
| Inp | [4547.32; 4547.32] |
|
|
| Inp | 4547.32 | NIST | |
| Inp | 4547.32 | NIST | |
| Tboil | 1282.41 | K | Joback Calculated Property |
| Tc | 1897.39 | K | Joback Calculated Property |
| Tfus | 657.80 | K | Joback Calculated Property |
| Vc | 2.523 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2506.20; 2760.54] | J/mol×K | [1282.41; 1897.39] |
|
| Cp,gas | 2506.20 | J/mol×K | 1282.41 | Joback Calculated Property |
| Cp,gas | 2558.71 | J/mol×K | 1384.91 | Joback Calculated Property |
| Cp,gas | 2603.30 | J/mol×K | 1487.40 | Joback Calculated Property |
| Cp,gas | 2642.88 | J/mol×K | 1589.90 | Joback Calculated Property |
| Cp,gas | 2680.35 | J/mol×K | 1692.40 | Joback Calculated Property |
| Cp,gas | 2718.60 | J/mol×K | 1794.89 | Joback Calculated Property |
| Cp,gas | 2760.54 | J/mol×K | 1897.39 | Joback Calculated Property |
| η | [0.0000017; 0.0000595] | Pa×s | [657.80; 1282.41] |
|
| η | 0.0000595 | Pa×s | 657.80 | Joback Calculated Property |
| η | 0.0000219 | Pa×s | 761.90 | Joback Calculated Property |
| η | 0.0000102 | Pa×s | 866.00 | Joback Calculated Property |
| η | 0.0000056 | Pa×s | 970.11 | Joback Calculated Property |
| η | 0.0000035 | Pa×s | 1074.21 | Joback Calculated Property |
| η | 0.0000023 | Pa×s | 1178.31 | Joback Calculated Property |
| η | 0.0000017 | Pa×s | 1282.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Docosanoic acid, docosyl ester.
Sources
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