- InChI
- InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h8-11H,3-7,12-20H2,1-2H3/b9-8+,11-10+
- InChI Key
- QKVKDCGPQOJFNM-BNFZFUHLSA-N
- Formula
- C21H38O2
- SMILES
- CCCCCCC=CC=CCCCCCCCCCC(=O)OC
- Molecular Weight1
- 322.53
- CAS
- 56599-57-6
- Other Names
-
- Methyl 11,13-icosadienoate
- Methyl 11,13-eicosadienoate
- 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).
- I : 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 | 0.8732 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -642.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.753 | Crippen Calculated Property | |
| McVol | 305.590 | ml/mol | McGowan Calculated Property |
| Pc | 1024.00 | kPa | Joback Calculated Property |
| I | [2583.00; 2583.00] |
|
|
| I | 2583.00 | NIST | |
| I | 2583.00 | NIST | |
| Tboil | 595.02 | K | Relay (1.0) Calculated Property |
| Tc | 788.17 | K | Relay (1.0) Calculated Property |
| Tfus | 312.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.136 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [912.96; 1014.41] | J/mol×K | [746.62; 923.23] |
|
| Cp,gas | 912.96 | J/mol×K | 746.62 | Joback Calculated Property |
| Cp,gas | 932.10 | J/mol×K | 776.05 | Joback Calculated Property |
| Cp,gas | 950.29 | J/mol×K | 805.49 | Joback Calculated Property |
| Cp,gas | 967.58 | J/mol×K | 834.92 | Joback Calculated Property |
| Cp,gas | 984.00 | J/mol×K | 864.36 | Joback Calculated Property |
| Cp,gas | 999.59 | J/mol×K | 893.79 | Joback Calculated Property |
| Cp,gas | 1014.41 | J/mol×K | 923.23 | Joback Calculated Property |
| η | [0.0000427; 0.0019310] | Pa×s | [358.60; 746.62] |
|
| η | 0.0019310 | Pa×s | 358.60 | Joback Calculated Property |
| η | 0.0006297 | Pa×s | 423.27 | Joback Calculated Property |
| η | 0.0002764 | Pa×s | 487.94 | Joback Calculated Property |
| η | 0.0001471 | Pa×s | 552.61 | Joback Calculated Property |
| η | 0.0000893 | Pa×s | 617.28 | Joback Calculated Property |
| η | 0.0000596 | Pa×s | 681.95 | Joback Calculated Property |
| η | 0.0000427 | Pa×s | 746.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 11,13-Eicosadienoic acid, methyl ester.
Sources
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