- InChI
- InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
- InChI Key
- UEDYHQHDUXDFGA-UHFFFAOYSA-N
- Formula
- C38H76O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC
CCCCCCCCCCCCC - Molecular Weight1
- 565.01
- CAS
- 42233-11-4
- Other Names
-
- hexadecayl docosanoate
- 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° | 35.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1072.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 96.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.34 | kJ/mol | Joback Calculated Property |
| log10WS | -14.59 | Crippen Calculated Property | |
| logPoct/wat | 13.833 | Crippen Calculated Property | |
| McVol | 553.720 | ml/mol | McGowan Calculated Property |
| Pc | 430.43 | kPa | Joback Calculated Property |
| Inp | [3946.89; 3946.89] |
|
|
| Inp | 3946.89 | NIST | |
| Inp | 3946.89 | NIST | |
| Tboil | 1145.13 | K | Joback Calculated Property |
| Tc | 1530.59 | K | Joback Calculated Property |
| Tfus | 291.50 ± 0.70 | K | NIST |
| Vc | 2.188 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2091.96; 2262.08] | J/mol×K | [1145.13; 1530.59] |
|
| Cp,gas | 2091.96 | J/mol×K | 1145.13 | Joback Calculated Property |
| Cp,gas | 2129.57 | J/mol×K | 1209.37 | Joback Calculated Property |
| Cp,gas | 2162.67 | J/mol×K | 1273.62 | Joback Calculated Property |
| Cp,gas | 2191.88 | J/mol×K | 1337.86 | Joback Calculated Property |
| Cp,gas | 2217.78 | J/mol×K | 1402.10 | Joback Calculated Property |
| Cp,gas | 2240.98 | J/mol×K | 1466.35 | Joback Calculated Property |
| Cp,gas | 2262.08 | J/mol×K | 1530.59 | Joback Calculated Property |
| η | [0.0000046; 0.0001520] | Pa×s | [590.18; 1145.13] |
|
| η | 0.0001520 | Pa×s | 590.18 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 682.67 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 775.16 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 867.66 | Joback Calculated Property |
| η | 0.0000094 | Pa×s | 960.15 | Joback Calculated Property |
| η | 0.0000064 | Pa×s | 1052.64 | Joback Calculated Property |
| η | 0.0000046 | Pa×s | 1145.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to hexadecyl docosanoate.
Sources
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