- 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/h4-5,7-8,10-11H,3,6,9,12-20H2,1-2H3/b5-4+,8-7+,11-10+
- InChI Key
- XQAVRBUXEPJVRC-JSIPCRQOSA-N
- Formula
- C21H36O2
- SMILES
- CCC=CCC=CCC=CCCCCCCCCCC(=O)OC
- Molecular Weight1
- 320.51
- CAS
- 55682-88-7
- Other Names
-
- Methyl 11,14,17-icosatrienoate
- Methyl 11,14,17-eicosatrienoate
- 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° | 132.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.37 | kJ/mol | Joback Calculated Property |
| log10WS | -7.04 | Crippen Calculated Property | |
| logPoct/wat | 6.529 | Crippen Calculated Property | |
| McVol | 301.290 | ml/mol | McGowan Calculated Property |
| Pc | 1087.78 | kPa | Joback Calculated Property |
| Inp | [2241.00; 2290.00] |
|
|
| Inp | 2275.00 | NIST | |
| Inp | 2290.00 | NIST | |
| Inp | 2279.00 | NIST | |
| Inp | 2279.00 | NIST | |
| Inp | 2241.00 | NIST | |
| Tboil | 768.65 | K | Joback Calculated Property |
| Tc | 951.62 | K | Joback Calculated Property |
| Tfus | 383.35 | K | Joback Calculated Property |
| Vc | 1.175 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [897.73; 996.60] | J/mol×K | [768.65; 951.62] |
|
| Cp,gas | 897.73 | J/mol×K | 768.65 | Joback Calculated Property |
| Cp,gas | 916.26 | J/mol×K | 799.15 | Joback Calculated Property |
| Cp,gas | 933.90 | J/mol×K | 829.64 | Joback Calculated Property |
| Cp,gas | 950.70 | J/mol×K | 860.14 | Joback Calculated Property |
| Cp,gas | 966.71 | J/mol×K | 890.63 | Joback Calculated Property |
| Cp,gas | 981.99 | J/mol×K | 921.13 | Joback Calculated Property |
| Cp,gas | 996.60 | J/mol×K | 951.62 | Joback Calculated Property |
| η | [0.0000418; 0.0012267] | Pa×s | [383.35; 768.65] |
|
| η | 0.0012267 | Pa×s | 383.35 | Joback Calculated Property |
| η | 0.0004662 | Pa×s | 447.57 | Joback Calculated Property |
| η | 0.0002259 | Pa×s | 511.78 | Joback Calculated Property |
| η | 0.0001286 | Pa×s | 576.00 | Joback Calculated Property |
| η | 0.0000820 | Pa×s | 640.22 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 704.43 | Joback Calculated Property |
| η | 0.0000418 | Pa×s | 768.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 11,14,17-Eicosatrienoic acid, methyl ester.
Sources
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