- InChI
- InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
- InChI Key
- MBMBGCFOFBJSGT-KUBAVDMBSA-N
- Formula
- C22H32O2
- SMILES
-
CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=
O)O - Molecular Weight1
- 328.49
- CAS
- 6217-54-5
- Other Names
-
- (all-Z)-4,7,10,13,16,19-Docosahexaenoic acid
- 4,7,10,13,16,19-Docosahexaenoic acid
- 4,7,10,13,16,19-Docosahexaenoic acid, (4Z,7Z,10Z,13Z,16Z,19Z)-
- 4,7,10,13,16,19-Docosahexaenoic acid, (all cis)-
- 4-cis,7-cis,10-cis,13-cis,16-cis,19-cis-Docosahexaenoic acid
- AquaGrow Advantage
- Cervonic acid
- DHA
- Docosahexaenoic acid
- Martek DHA HM
- Ropufa 60
- cis-4,7,10,13,16,19-Docosahexaenoic acid
- cis-4,7,10,13,16,19-Docosahexanoic acid
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 349.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -58.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.74 | kJ/mol | Joback Calculated Property |
| log10WS | -7.25 | Crippen Calculated Property | |
| logPoct/wat | 6.549 | Crippen Calculated Property | |
| McVol | 302.480 | ml/mol | McGowan Calculated Property |
| Pc | 1219.99 | kPa | Joback Calculated Property |
| Inp | [2520.90; 2520.90] |
|
|
| Inp | 2520.90 | NIST | |
| Inp | 2520.90 | NIST | |
| Tboil | 873.77 | K | Joback Calculated Property |
| Tc | 1073.06 | K | Joback Calculated Property |
| Tfus | 417.97 | K | Joback Calculated Property |
| Vc | 1.173 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [919.10; 1011.34] | J/mol×K | [873.77; 1073.06] |
|
| Cp,gas | 919.10 | J/mol×K | 873.77 | Joback Calculated Property |
| Cp,gas | 935.35 | J/mol×K | 906.99 | Joback Calculated Property |
| Cp,gas | 951.09 | J/mol×K | 940.20 | Joback Calculated Property |
| Cp,gas | 966.44 | J/mol×K | 973.42 | Joback Calculated Property |
| Cp,gas | 981.52 | J/mol×K | 1006.63 | Joback Calculated Property |
| Cp,gas | 996.45 | J/mol×K | 1039.85 | Joback Calculated Property |
| Cp,gas | 1011.34 | J/mol×K | 1073.06 | Joback Calculated Property |
| η | [0.0000049; 0.0009411] | Pa×s | [417.97; 873.77] |
|
| η | 0.0009411 | Pa×s | 417.97 | Joback Calculated Property |
| η | 0.0002003 | Pa×s | 493.94 | Joback Calculated Property |
| η | 0.0000644 | Pa×s | 569.90 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 645.87 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 721.84 | Joback Calculated Property |
| η | 0.0000078 | Pa×s | 797.80 | Joback Calculated Property |
| η | 0.0000049 | Pa×s | 873.77 | Joback Calculated Property |
| ΔvapH | 162.90 | kJ/mol | 298.15 | Vaporiz... |
Similar Compounds
Find more compounds similar to Doconexent.
Sources
- Crippen Method
- Crippen Method
- Vaporization, Sublimation and Fusion Enthalpies of Some Saturated and Unsaturated Long Chain Fatty Acids by Correlation Gas Chromatography
- Joback Method
- McGowan Method
- NIST Webbook
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