- InChI
- InChI=1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5+,9-8+,12-11+,15-14+,18-17+
- InChI Key
- CLBWGVLBIKYNAZ-LRKAYDMASA-N
- Formula
- C22H34O2
- SMILES
-
CCCC=CCC=CCC=CCC=CCC=CCCCC(=O)
OC - Molecular Weight1
- 330.50
- 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° | 301.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.51 | kJ/mol | Joback Calculated Property |
| log10WS | -7.16 | Crippen Calculated Property | |
| logPoct/wat | 6.471 | Crippen Calculated Property | |
| McVol | 306.780 | ml/mol | McGowan Calculated Property |
| Pc | 1093.54 | kPa | Joback Calculated Property |
| Inp | [2232.00; 2232.00] |
|
|
| Inp | 2232.00 | NIST | |
| Inp | 2232.00 | NIST | |
| Inp | 2232.00 | NIST | |
| Tboil | 799.85 | K | Joback Calculated Property |
| Tc | 991.48 | K | Joback Calculated Property |
| Tfus | 384.46 | K | Joback Calculated Property |
| Vc | 1.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [907.96; 1005.10] | J/mol×K | [799.85; 991.48] |
|
| Cp,gas | 907.96 | J/mol×K | 799.85 | Joback Calculated Property |
| Cp,gas | 925.94 | J/mol×K | 831.79 | Joback Calculated Property |
| Cp,gas | 943.09 | J/mol×K | 863.73 | Joback Calculated Property |
| Cp,gas | 959.50 | J/mol×K | 895.66 | Joback Calculated Property |
| Cp,gas | 975.25 | J/mol×K | 927.60 | Joback Calculated Property |
| Cp,gas | 990.42 | J/mol×K | 959.54 | Joback Calculated Property |
| Cp,gas | 1005.10 | J/mol×K | 991.48 | Joback Calculated Property |
| η | [0.0000276; 0.0009665] | Pa×s | [384.46; 799.85] |
|
| η | 0.0009665 | Pa×s | 384.46 | Joback Calculated Property |
| η | 0.0003401 | Pa×s | 453.69 | Joback Calculated Property |
| η | 0.0001578 | Pa×s | 522.92 | Joback Calculated Property |
| η | 0.0000876 | Pa×s | 592.15 | Joback Calculated Property |
| η | 0.0000550 | Pa×s | 661.39 | Joback Calculated Property |
| η | 0.0000377 | Pa×s | 730.62 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 799.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,8,11,14,17-Eicosapentaenoic acid, methyl ester.
Sources
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