- InChI
- InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11,13-14,16-17H,3-9,12,15,18-20H2,1-2H3/b11-10-,14-13-,17-16-
- InChI Key
- AESHPAQQBZWZMS-NWFXIAEYSA-N
- Formula
- C21H36O2
- SMILES
- CCCCCCCCC=CCC=CCC=CCCCC(=O)OC
- Molecular Weight1
- 320.51
- 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 | 0.7542 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -604.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.529 | Crippen Calculated Property | |
| McVol | 301.290 | ml/mol | McGowan Calculated Property |
| Pc | 1058.95 | kPa | Joback Calculated Property |
| Inp | 2272.00 | NIST | |
| Tboil | 599.50 | K | Relay (1.0) Calculated Property |
| Tc | 783.90 | K | Relay (1.0) Calculated Property |
| Tfus | 278.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.067 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [889.38; 988.26] | J/mol×K | [750.78; 931.02] | 
|
| Cp,gas | 889.38 | J/mol×K | 750.78 | Joback Calculated Property |
| Cp,gas | 908.02 | J/mol×K | 780.82 | Joback Calculated Property |
| Cp,gas | 925.72 | J/mol×K | 810.86 | Joback Calculated Property |
| Cp,gas | 942.54 | J/mol×K | 840.90 | Joback Calculated Property |
| Cp,gas | 958.54 | J/mol×K | 870.94 | Joback Calculated Property |
| Cp,gas | 973.76 | J/mol×K | 900.98 | Joback Calculated Property |
| Cp,gas | 988.26 | J/mol×K | 931.02 | Joback Calculated Property |
| η | [0.0000370; 0.0018293] | Pa×s | [353.52; 750.78] |
|
| η | 0.0018293 | Pa×s | 353.52 | Joback Calculated Property |
| η | 0.0005718 | Pa×s | 419.73 | Joback Calculated Property |
| η | 0.0002454 | Pa×s | 485.94 | Joback Calculated Property |
| η | 0.0001290 | Pa×s | 552.15 | Joback Calculated Property |
| η | 0.0000778 | Pa×s | 618.36 | Joback Calculated Property |
| η | 0.0000518 | Pa×s | 684.57 | Joback Calculated Property |
| η | 0.0000370 | Pa×s | 750.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-5,8,11-Eicosatrienoic acid, methyl ester.
Sources
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