- InChI
- InChI=1S/C22H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25-4-2/h21,23H,3-20H2,1-2H3
- InChI Key
- DRMKUFKWLLRFLJ-UHFFFAOYSA-N
- Formula
- C22H44O3
- SMILES
- CCCCCCCCCCCCCCCCCC(O)CC(=O)OCC
- Molecular Weight1
- 356.58
- 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° | -238.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -899.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.01 | kJ/mol | Joback Calculated Property |
| log10WS | -7.27 | Crippen Calculated Property | |
| logPoct/wat | 6.562 | Crippen Calculated Property | |
| McVol | 334.150 | ml/mol | McGowan Calculated Property |
| Pc | 986.40 | kPa | Joback Calculated Property |
| Inp | [2551.40; 2551.40] |
|
|
| Inp | 2551.40 | NIST | |
| Inp | 2551.40 | NIST | |
| Tboil | 870.79 | K | Joback Calculated Property |
| Tc | 1067.36 | K | Joback Calculated Property |
| Tfus | 455.68 | K | Joback Calculated Property |
| Vc | 1.304 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1110.85; 1211.03] | J/mol×K | [870.79; 1067.36] |
|
| Cp,gas | 1110.85 | J/mol×K | 870.79 | Joback Calculated Property |
| Cp,gas | 1130.34 | J/mol×K | 903.55 | Joback Calculated Property |
| Cp,gas | 1148.65 | J/mol×K | 936.31 | Joback Calculated Property |
| Cp,gas | 1165.84 | J/mol×K | 969.08 | Joback Calculated Property |
| Cp,gas | 1181.93 | J/mol×K | 1001.84 | Joback Calculated Property |
| Cp,gas | 1196.98 | J/mol×K | 1034.60 | Joback Calculated Property |
| Cp,gas | 1211.03 | J/mol×K | 1067.36 | Joback Calculated Property |
| η | [0.0000077; 0.0008594] | Pa×s | [455.68; 870.79] |
|
| η | 0.0008594 | Pa×s | 455.68 | Joback Calculated Property |
| η | 0.0002333 | Pa×s | 524.87 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 594.05 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 663.23 | Joback Calculated Property |
| η | 0.0000205 | Pa×s | 732.42 | Joback Calculated Property |
| η | 0.0000120 | Pa×s | 801.61 | Joback Calculated Property |
| η | 0.0000077 | Pa×s | 870.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 3-hydroxyicosanoate.
Sources
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