- InChI
- InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10+
- InChI Key
- RBKMRGOHCLRTLZ-ZHACJKMWSA-N
- Formula
- C21H40O2
- SMILES
- CCCCCCCCC=CCCCCCCCCCC(=O)OC
- Molecular Weight1
- 324.54
- CAS
- 3946-08-5
- 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 | 0.9179 | Relay (1.0) Calculated Property | |
| ΔfG° | -104.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -724.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.977 | Crippen Calculated Property | |
| McVol | 309.890 | ml/mol | McGowan Calculated Property |
| Pc | 990.75 | kPa | Joback Calculated Property |
| Inp | 2279.00 | NIST | |
| Tboil | 599.45 | K | Relay (1.0) Calculated Property |
| Tc | 788.76 | K | Relay (1.0) Calculated Property |
| Tfus | 288.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.181 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [453.31; 1080.27] | 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 | -4.97400e+00 | |||
| Coefficient B | 1.96404e+00 | |||
| Coefficient C | -1.10780e-03 | |||
| Coefficient D | 2.29000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 453.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 561.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 658.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 744.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 820.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 887.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 946.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 997.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1042.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1080.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020404; 0.0000868] | Pa×s | [363.68; 641.06] |
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 | -1.34916e+01 | |||
| Coefficient B | 2.65376e+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. | 363.68 | |||
| Temperature range, max. | 641.06 | |||
| η | 0.0020404 | Pa×s | 363.68 | Calculated Property |
| η | 0.0011538 | Pa×s | 394.50 | Calculated Property |
| η | 0.0007087 | Pa×s | 425.32 | Calculated Property |
| η | 0.0004649 | Pa×s | 456.14 | Calculated Property |
| η | 0.0003217 | Pa×s | 486.96 | Calculated Property |
| η | 0.0002326 | Pa×s | 517.78 | Calculated Property |
| η | 0.0001744 | Pa×s | 548.60 | Calculated Property |
| η | 0.0001348 | Pa×s | 579.42 | Calculated Property |
| η | 0.0001070 | Pa×s | 610.24 | Calculated Property |
| η | 0.0000868 | Pa×s | 641.06 | Calculated Property |
Similar Compounds
Find more compounds similar to 11-Eicosenoic acid, methyl ester.
Sources
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