- 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
- 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 | 1.1732 | Relay (1.0) Calculated Property | |
| ΔfG° | -315.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -995.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.562 | Crippen Calculated Property | |
| McVol | 334.150 | ml/mol | McGowan Calculated Property |
| Pc | 961.48 | kPa | Joback Calculated Property |
| Inp | [2551.40; 2551.40] |
|
|
| Inp | 2551.40 | NIST | |
| Inp | 2551.40 | NIST | |
| Tboil | 625.35 | K | Relay (1.0) Calculated Property |
| Tc | 821.00 | K | Relay (1.0) Calculated Property |
| Tfus | 332.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.298 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1101.96; 1201.49] | J/mol×K | [852.92; 1044.98] |
|
| Cp,gas | 1101.96 | J/mol×K | 852.92 | Joback Calculated Property |
| Cp,gas | 1121.35 | J/mol×K | 884.93 | Joback Calculated Property |
| Cp,gas | 1139.57 | J/mol×K | 916.94 | Joback Calculated Property |
| Cp,gas | 1156.66 | J/mol×K | 948.95 | Joback Calculated Property |
| Cp,gas | 1172.64 | J/mol×K | 980.96 | Joback Calculated Property |
| Cp,gas | 1187.57 | J/mol×K | 1012.97 | Joback Calculated Property |
| Cp,gas | 1201.49 | J/mol×K | 1044.98 | Joback Calculated Property |
| η | [0.0000070; 0.0014358] | Pa×s | [425.85; 852.92] |
|
| η | 0.0014358 | Pa×s | 425.85 | Joback Calculated Property |
| η | 0.0003131 | Pa×s | 497.03 | Joback Calculated Property |
| η | 0.0001000 | Pa×s | 568.21 | Joback Calculated Property |
| η | 0.0000412 | Pa×s | 639.38 | Joback Calculated Property |
| η | 0.0000202 | Pa×s | 710.56 | Joback Calculated Property |
| η | 0.0000113 | Pa×s | 781.74 | Joback Calculated Property |
| η | 0.0000070 | Pa×s | 852.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 3-hydroxyicosanoate.
Sources
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