- InChI
- InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+
- InChI Key
- WTTJVINHCBCLGX-ZDVGBALWSA-N
- Formula
- C19H34O2
- SMILES
- CCCCCC=CCC=CCCCCCCCC(=O)OC
- Molecular Weight1
- 294.47
- CAS
- 2566-97-4
- Other Names
-
- Linolelaidic acid, methyl ester
- Methyl linolelaidate
- Methyl trans,trans-9,12-octadecadienoate
- Methyl 9-trans-12-trans-octadecadienoate
- Methyl (E, E)-9,12-octadecadienoate
- trans-9,12-Octadecadienoic acid, methyl ester
- methyl (9E,12E)-octadeca-9,12-dienoate
- 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).
- ΔfH°liquid : Liquid phase 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.
- 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 | 0.7632 | Relay (1.0) Calculated Property | |
| ΔfG° | -40.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -617.01 | kJ/mol | NIST |
| ΔfusH° | 49.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.973 | Crippen Calculated Property | |
| McVol | 277.410 | ml/mol | McGowan Calculated Property |
| Pc | 1162.45 | kPa | Joback Calculated Property |
| Inp | [1980.00; 1980.00] |
|
|
| Inp | 1980.00 | NIST | |
| Inp | 1980.00 | NIST | |
| I | 2405.00 | NIST | |
| Tboil | 584.15 | K | Relay (1.0) Calculated Property |
| Tc | 767.36 | K | Relay (1.0) Calculated Property |
| Tfus | 271.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.012 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.87; 946.50] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.73380e+01 | |||
| Coefficient B | 1.79404e+00 | |||
| Coefficient C | -1.08280e-03 | |||
| Coefficient D | 2.52600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 396.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 493.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 578.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 654.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 720.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 779.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 830.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 874.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 913.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 946.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024512; 0.0000921] | Pa×s | [336.06; 612.89] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.32768e+01 | |||
| Coefficient B | 2.44168e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 336.06 | |||
| Temperature range, max. | 612.89 | |||
| η | 0.0024512 | Pa×s | 336.06 | Calculated Property |
| η | 0.0013329 | Pa×s | 366.82 | Calculated Property |
| η | 0.0007964 | Pa×s | 397.58 | Calculated Property |
| η | 0.0005124 | Pa×s | 428.34 | Calculated Property |
| η | 0.0003497 | Pa×s | 459.10 | Calculated Property |
| η | 0.0002504 | Pa×s | 489.85 | Calculated Property |
| η | 0.0001866 | Pa×s | 520.61 | Calculated Property |
| η | 0.0001436 | Pa×s | 551.37 | Calculated Property |
| η | 0.0001136 | Pa×s | 582.13 | Calculated Property |
| η | 0.0000921 | Pa×s | 612.89 | Calculated Property |
Similar Compounds
Find more compounds similar to 9,12-Octadecadienoic acid, methyl ester, (E,E)-.
Sources
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