- 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 (1.0) Calculated Property | |
| ΔfG° | -150.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -874.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.762 | Crippen Calculated Property | |
| McVol | 370.550 | ml/mol | McGowan Calculated Property |
| Pc | 766.06 | kPa | Joback Calculated Property |
| Inp | [2699.00; 2699.00] |
|
|
| Inp | 2699.00 | NIST | |
| Inp | 2699.00 | NIST | |
| Tboil | 622.37 | K | Relay (1.0) Calculated Property |
| Tc | 811.09 | K | Relay (1.0) Calculated Property |
| Tfus | 313.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.466 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1210.11; 1325.55] | J/mol×K | [829.82; 1016.05] |
|
| Cp,gas | 1210.11 | J/mol×K | 829.82 | Joback Calculated Property |
| Cp,gas | 1232.34 | J/mol×K | 860.86 | Joback Calculated Property |
| Cp,gas | 1253.32 | J/mol×K | 891.90 | Joback Calculated Property |
| Cp,gas | 1273.09 | J/mol×K | 922.93 | Joback Calculated Property |
| Cp,gas | 1291.69 | J/mol×K | 953.97 | Joback Calculated Property |
| Cp,gas | 1309.17 | J/mol×K | 985.01 | Joback Calculated Property |
| Cp,gas | 1325.55 | J/mol×K | 1016.05 | Joback Calculated Property |
| η | [0.0000318; 0.0012853] | Pa×s | [413.84; 829.82] |
|
| η | 0.0012853 | Pa×s | 413.84 | Joback Calculated Property |
| η | 0.0004458 | Pa×s | 483.17 | Joback Calculated Property |
| η | 0.0002017 | Pa×s | 552.50 | Joback Calculated Property |
| η | 0.0001089 | Pa×s | 621.83 | Joback Calculated Property |
| η | 0.0000665 | Pa×s | 691.16 | Joback Calculated Property |
| η | 0.0000445 | Pa×s | 760.49 | Joback Calculated Property |
| η | 0.0000318 | Pa×s | 829.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Docosanol, propanoate.
Sources
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