- InChI
- InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24(2)25/h3-23H2,1-2H3
- InChI Key
- AWYRDXDPCQRJHE-UHFFFAOYSA-N
- Formula
- C24H48O2
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCOC(C)=O
- Molecular Weight1
- 368.64
- CAS
- 822-26-4
- Other Names
-
- Docosyl acetate
- n-Docosyl acetate
- Acetic acid, docosyl ester
- Behenyl acetate
- Docosanol acetate
- Docosanyl acetate
- 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° | -82.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -783.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.17 | kJ/mol | Joback Calculated Property |
| log10WS | -8.73 | Crippen Calculated Property | |
| logPoct/wat | 8.371 | Crippen Calculated Property | |
| McVol | 356.460 | ml/mol | McGowan Calculated Property |
| Pc | 827.64 | kPa | Joback Calculated Property |
| Inp | [2594.00; 2617.00] |
|
|
| Inp | 2611.00 | NIST | |
| Inp | 2611.30 | NIST | |
| Inp | 2609.00 | NIST | |
| Inp | 2613.00 | NIST | |
| Inp | 2617.00 | NIST | |
| Inp | Outlier 2594.00 | NIST | |
| Inp | 2604.00 | NIST | |
| Inp | 2611.00 | NIST | |
| Inp | 2611.00 | NIST | |
| Tboil | 824.81 | K | Joback Calculated Property |
| Tc | 1009.81 | K | Joback Calculated Property |
| Tfus | 432.40 | K | Joback Calculated Property |
| Vc | 1.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1156.81; 1270.08] | J/mol×K | [824.81; 1009.81] |
|
| Cp,gas | 1156.81 | J/mol×K | 824.81 | Joback Calculated Property |
| Cp,gas | 1178.47 | J/mol×K | 855.64 | Joback Calculated Property |
| Cp,gas | 1198.97 | J/mol×K | 886.48 | Joback Calculated Property |
| Cp,gas | 1218.34 | J/mol×K | 917.31 | Joback Calculated Property |
| Cp,gas | 1236.63 | J/mol×K | 948.14 | Joback Calculated Property |
| Cp,gas | 1253.86 | J/mol×K | 978.97 | Joback Calculated Property |
| Cp,gas | 1270.08 | J/mol×K | 1009.81 | Joback Calculated Property |
| η | [0.0000418; 0.0010603] | Pa×s | [432.40; 824.81] |
|
| η | 0.0010603 | Pa×s | 432.40 | Joback Calculated Property |
| η | 0.0004342 | Pa×s | 497.80 | Joback Calculated Property |
| η | 0.0002188 | Pa×s | 563.20 | Joback Calculated Property |
| η | 0.0001271 | Pa×s | 628.61 | Joback Calculated Property |
| η | 0.0000818 | Pa×s | 694.01 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 759.41 | Joback Calculated Property |
| η | 0.0000418 | Pa×s | 824.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Docosanol, acetate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.