- InChI
- InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,10-18H2,1-2H3/b9-8+
- InChI Key
- PVVODBCDJBGMJL-CMDGGOBGSA-N
- Formula
- C19H36O2
- SMILES
- CCCCCCC=CCCCCCCCCCC(=O)OC
- Molecular Weight1
- 296.49
- CAS
- 52380-33-3
- Other Names
-
- Methyl 11-octadecenoate
- Octadec-11-enoic acid, methyl ester
- trans-Vaccenic acid, methyl ester
- 16:1n-7 methyl ester
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8479 | Relay (1.0) Calculated Property | |
| ΔfG° | -121.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -681.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.197 | Crippen Calculated Property | |
| McVol | 281.710 | ml/mol | McGowan Calculated Property |
| Pc | 1122.31 | kPa | Joback Calculated Property |
| Inp | [2089.00; 2115.20] |
|
|
| Inp | 2089.00 | NIST | |
| Inp | 2115.20 | NIST | |
| Inp | 2089.00 | NIST | |
| Tboil | 585.16 | K | Relay (1.0) Calculated Property |
| Tc | 772.03 | K | Relay (1.0) Calculated Property |
| Tfus | 278.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.068 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [817.31; 917.83] | J/mol×K | [696.70; 867.19] |
|
| Cp,gas | 817.31 | J/mol×K | 696.70 | Joback Calculated Property |
| Cp,gas | 836.20 | J/mol×K | 725.12 | Joback Calculated Property |
| Cp,gas | 854.19 | J/mol×K | 753.53 | Joback Calculated Property |
| Cp,gas | 871.33 | J/mol×K | 781.95 | Joback Calculated Property |
| Cp,gas | 887.63 | J/mol×K | 810.36 | Joback Calculated Property |
| Cp,gas | 903.12 | J/mol×K | 838.78 | Joback Calculated Property |
| Cp,gas | 917.83 | J/mol×K | 867.19 | Joback Calculated Property |
| η | [0.0000647; 0.0025879] | Pa×s | [341.14; 696.70] |
|
| η | 0.0025879 | Pa×s | 341.14 | Joback Calculated Property |
| η | 0.0008880 | Pa×s | 400.40 | Joback Calculated Property |
| η | 0.0004015 | Pa×s | 459.66 | Joback Calculated Property |
| η | 0.0002176 | Pa×s | 518.92 | Joback Calculated Property |
| η | 0.0001337 | Pa×s | 578.18 | Joback Calculated Property |
| η | 0.0000900 | Pa×s | 637.44 | Joback Calculated Property |
| η | 0.0000647 | Pa×s | 696.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 11-Octadecenoic acid, methyl ester.
Sources
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