- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.71; 1181.65] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.19080e+01 | |||
| Coefficient B | 2.07894e+00 | |||
| Coefficient C | -1.11200e-03 | |||
| Coefficient D | 2.02800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 500.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 617.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 721.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 815.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 899.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 972.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1036.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1092.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1140.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1181.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014358; 0.0000169] | Pa×s | [425.85; 731.49] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.71814e+01 | |||
| Coefficient B | 4.52909e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 425.85 | |||
| Temperature range, max. | 731.49 | |||
| η | 0.0014358 | Pa×s | 425.85 | Calculated Property |
| η | 0.0006546 | Pa×s | 459.81 | Calculated Property |
| η | 0.0003325 | Pa×s | 493.77 | Calculated Property |
| η | 0.0001843 | Pa×s | 527.73 | Calculated Property |
| η | 0.0001097 | Pa×s | 561.69 | Calculated Property |
| η | 0.0000693 | Pa×s | 595.65 | Calculated Property |
| η | 0.0000460 | Pa×s | 629.61 | Calculated Property |
| η | 0.0000318 | Pa×s | 663.57 | Calculated Property |
| η | 0.0000228 | Pa×s | 697.53 | Calculated Property |
| η | 0.0000169 | Pa×s | 731.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 3-hydroxyicosanoate.
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