- InChI
- InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10-
- InChI Key
- ZYNDJIBBPLNPOW-KHPPLWFESA-N
- Formula
- C23H44O2
- SMILES
- CCCCCCCCC=CCCCCCCCCCCCC(=O)OC
- Molecular Weight1
- 352.59
- CAS
- 1120-34-9
- Other Names
-
- Erucic acid methyl ester
- Methyl 13-docosenoate-, cis-
- Methyl cis-13-docosenoate
- brassidic acid, methyl ester
- cis-13-Docosenoic acid, methyl ester
- erucic acid, methyl ester
- methyl (Z)-13-docosenoate
- methyl (Z)-docos-13-enoate
- methyl erucate
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.9879 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -14451.50 ± 1.50 | kJ/mol | NIST |
| ΔfG° | -10.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -767.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [123.80; 125.60] | kJ/mol |
|
| ΔvapH° | 125.60 ± 1.20 | kJ/mol | NIST |
| ΔvapH° | 123.80 | kJ/mol | NIST |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.757 | Crippen Calculated Property | |
| McVol | 338.070 | ml/mol | McGowan Calculated Property |
| Pc | 902.89 | kPa | Joback Calculated Property |
| Inp | [2459.00; 2507.80] |
|
|
| Inp | 2460.30 | NIST | |
| Inp | 2473.00 | NIST | |
| Inp | 2480.00 | NIST | |
| Inp | 2507.80 | NIST | |
| Inp | 2486.00 | NIST | |
| Inp | 2459.00 | NIST | |
| Inp | 2460.30 | NIST | |
| Inp | 2486.00 | NIST | |
| Inp | 2507.80 | NIST | |
| I | [2844.00; 2878.00] |
|
|
| I | 2844.00 | NIST | |
| I | 2878.00 | NIST | |
| Tboil | 613.18 | K | Relay (1.0) Calculated Property |
| Tc | 800.51 | K | Relay (1.0) Calculated Property |
| Tfus | 300.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.291 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to 13-Docosenoic acid, methyl ester, (Z)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
- Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
- Joback Method
- McGowan Method
- NIST Webbook
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