- 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/h10-11H,3-9,12-18H2,1-2H3/b11-10+
- InChI Key
- QYDYPVFESGNLHU-ZHACJKMWSA-N
- Formula
- C19H36O2
- SMILES
- CCCCCCCC/C=C/CCCCCCCC(=O)OC
- Molecular Weight1
- 296.49
- CAS
- 1937-62-8
- Other Names
-
- (E)-9-Octadecenoic acid methyl ester
- Elaidic acid, methyl ester
- Methyl elaidate
- Methyl trans-9-octadecenoate
- Methyl-trans-oleate
- trans-9-Octadecenoic acid, methyl ester
- 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).
- 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).
- 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.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.8438 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -11885.00 ± 12.00 | kJ/mol | NIST |
| ΔfG° | -121.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -731.70 | kJ/mol | NIST |
| ΔfusH° | 49.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.43 | 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 | [358.60; 2110.90] |
|
|
| Inp | 2086.00 | NIST | |
| Inp | 2084.00 | NIST | |
| Inp | 2087.87 | NIST | |
| Inp | 2110.90 | NIST | |
| Inp | 2109.80 | NIST | |
| Inp | 358.60 | NIST | |
| Inp | 358.60 | NIST | |
| Inp | 2084.00 | NIST | |
| Ip | 2445.00 | NIST | |
| Tboil | 581.07 | K | Relay (1.0) Calculated Property |
| Tc | 773.67 | K | Relay (1.0) Calculated Property |
| Tfus | 253.25 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.063 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 77.20 | kJ/mol | 498.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 487.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.88; 977.08] | 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 | -3.15600e+00 | |||
| Coefficient B | 1.77404e+00 | |||
| Coefficient C | -9.99000e-04 | |||
| Coefficient D | 2.05200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 410.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 508.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 595.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 673.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 742.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 803.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 856.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 902.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 942.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 977.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0317848; 0.0001092] | Pa×s | [253.25; 607.04] |
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 | -1.31840e+01 | |||
| Coefficient B | 2.46544e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 253.25 | |||
| Temperature range, max. | 607.04 | |||
| η | 0.0317848 | Pa×s | 253.25 | Calculated Property |
| η | 0.0085928 | Pa×s | 292.56 | Calculated Property |
| η | 0.0031669 | Pa×s | 331.87 | Calculated Property |
| η | 0.0014419 | Pa×s | 371.18 | Calculated Property |
| η | 0.0007633 | Pa×s | 410.49 | Calculated Property |
| η | 0.0004516 | Pa×s | 449.80 | Calculated Property |
| η | 0.0002907 | Pa×s | 489.11 | Calculated Property |
| η | 0.0001998 | Pa×s | 528.42 | Calculated Property |
| η | 0.0001446 | Pa×s | 567.73 | Calculated Property |
| η | 0.0001092 | Pa×s | 607.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 9-Octadecenoic acid, methyl ester, (E)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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