- InChI
- InChI=1S/C25H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25(26)4-2/h3-24H2,1-2H3
- InChI Key
- INLQPAGXYNKUDT-UHFFFAOYSA-N
- Formula
- C25H50O2
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC
- Molecular Weight1
- 382.66
- CAS
- 55334-75-3
- Other Names
-
- Docosanyl propionate
- 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).
- 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 | 1.1461 | Relay (... Calculated Property | |
| ΔfG° | -74.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -874.53 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 63.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.17 | kJ/mol | Relay (... Calculated Property |
| IE | 9.95 | eV | Relay (... Calculated Property |
| log10WS | -8.38 | Relay (... Calculated Property | |
| logPoct/wat | 8.762 | Crippen Calculated Property | |
| McVol | 370.550 | ml/mol | McGowan Calculated Property |
| Pc | 783.75 | kPa | Joback Calculated Property |
| Inp | [2699.00; 2699.00] |
|
|
| Inp | 2699.00 | NIST | |
| Inp | 2699.00 | NIST | |
| Tboil | 622.37 | K | Relay (... Calculated Property |
| Tc | 807.72 | K | Relay (... Calculated Property |
| Tfus | 318.94 | K | Relay (... Calculated Property |
| Vc | 1.464 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1220.77; 1336.53] | J/mol×K | [847.69; 1038.15] |
|
| Cp,gas | 1220.77 | J/mol×K | 847.69 | Joback Calculated Property |
| Cp,gas | 1243.05 | J/mol×K | 879.43 | Joback Calculated Property |
| Cp,gas | 1264.07 | J/mol×K | 911.18 | Joback Calculated Property |
| Cp,gas | 1283.89 | J/mol×K | 942.92 | Joback Calculated Property |
| Cp,gas | 1302.54 | J/mol×K | 974.66 | Joback Calculated Property |
| Cp,gas | 1320.07 | J/mol×K | 1006.41 | Joback Calculated Property |
| Cp,gas | 1336.53 | J/mol×K | 1038.15 | Joback Calculated Property |
| η | [0.0000361; 0.0009384] | Pa×s | [443.67; 847.69] |
|
| η | 0.0009384 | Pa×s | 443.67 | Joback Calculated Property |
| η | 0.0003813 | Pa×s | 511.01 | Joback Calculated Property |
| η | 0.0001910 | Pa×s | 578.34 | Joback Calculated Property |
| η | 0.0001106 | Pa×s | 645.68 | Joback Calculated Property |
| η | 0.0000710 | Pa×s | 713.02 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 780.35 | Joback Calculated Property |
| η | 0.0000361 | Pa×s | 847.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Docosanol, propanoate.
Sources
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