- InChI
- InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
- InChI Key
- JAZBEHYOTPTENJ-JLNKQSITSA-N
- Formula
- C20H30O2
- SMILES
- CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
- Molecular Weight1
- 302.45
- CAS
- 10417-94-4
- Other Names
-
- Icosapentaenoic acid
- (all-Z)-5,8,11,14,17-Eicosapentaenoic acid
- EPA
- Timnodonic acid
- 5,8,11,14,17-Eicosapentaenoic acid, (5Z,8Z,11Z,14Z,17Z)-
- Eicosapentaenoic 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).
- 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° | 252.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -134.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.33 | kJ/mol | Joback Calculated Property |
| log10WS | -6.56 | Crippen Calculated Property | |
| logPoct/wat | 5.993 | Crippen Calculated Property | |
| McVol | 278.600 | ml/mol | McGowan Calculated Property |
| Pc | 1348.67 | kPa | Joback Calculated Property |
| Inp | [2334.20; 2334.20] |
|
|
| Inp | 2334.20 | NIST | |
| Inp | 2334.20 | NIST | |
| Tboil | 823.85 | K | Joback Calculated Property |
| Tc | 1015.83 | K | Joback Calculated Property |
| Tfus | 400.51 | K | Joback Calculated Property |
| Vc | 1.081 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [827.37; 912.45] | J/mol×K | [823.85; 1015.83] |
|
| Cp,gas | 827.37 | J/mol×K | 823.85 | Joback Calculated Property |
| Cp,gas | 842.80 | J/mol×K | 855.85 | Joback Calculated Property |
| Cp,gas | 857.60 | J/mol×K | 887.84 | Joback Calculated Property |
| Cp,gas | 871.88 | J/mol×K | 919.84 | Joback Calculated Property |
| Cp,gas | 885.71 | J/mol×K | 951.83 | Joback Calculated Property |
| Cp,gas | 899.21 | J/mol×K | 983.83 | Joback Calculated Property |
| Cp,gas | 912.45 | J/mol×K | 1015.83 | Joback Calculated Property |
| η | [0.0000081; 0.0014454] | Pa×s | [400.51; 823.85] |
|
| η | 0.0014454 | Pa×s | 400.51 | Joback Calculated Property |
| η | 0.0003190 | Pa×s | 471.07 | Joback Calculated Property |
| η | 0.0001043 | Pa×s | 541.62 | Joback Calculated Property |
| η | 0.0000442 | Pa×s | 612.18 | Joback Calculated Property |
| η | 0.0000223 | Pa×s | 682.74 | Joback Calculated Property |
| η | 0.0000128 | Pa×s | 753.29 | Joback Calculated Property |
| η | 0.0000081 | Pa×s | 823.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-5,8,11,14,17-Eicosapentaenoic acid.
Sources
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