- InChI
- InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
- InChI Key
- ZQPPMHVWECSIRJ-MDZDMXLPSA-N
- Formula
- C18H34O2
- SMILES
- CCCCCCCCC=CCCCCCCCC(=O)O
- Molecular Weight1
- 282.46
- CAS
- 2027-47-6
- Other Names
-
- (E)-9-octadecenoic acid
- 9-octadecenoic acid, (E)-
- Oleic acid
- elaidic acid
- trans-9-octadecenoic acid
- trans-«delta»
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- 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 | 1.0298 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-11128.00; -11127.10] | kJ/mol |
|
| ΔcH°liquid | -11127.10 | kJ/mol | NIST |
| ΔcH°liquid | -11128.00 | kJ/mol | NIST |
| ΔcH°solid | -11040.40 | kJ/mol | NIST |
| ΔfG° | -84.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -769.00 | kJ/mol | NIST |
| ΔfusH° | 48.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.109 | Crippen Calculated Property | |
| McVol | 267.620 | ml/mol | McGowan Calculated Property |
| Pc | 1332.96 | kPa | Joback Calculated Property |
| Inp | [2123.00; 2143.90] |
|
|
| Inp | 2141.00 | NIST | |
| Inp | 2143.90 | NIST | |
| Inp | 2123.00 | NIST | |
| Tboil | 606.18 | K | Relay (1.0) Calculated Property |
| Tc | 801.81 | K | Relay (1.0) Calculated Property |
| Tfus | [316.95; 320.00] | K |
|
| Tfus | 316.95 ± 0.50 | K | NIST |
| Tfus | 317.15 ± 1.00 | K | NIST |
| Tfus | 320.00 ± 1.00 | K | NIST |
| Vc | 1.001 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [811.35; 899.26] | J/mol×K | [761.45; 937.21] |
|
| Cp,gas | 811.35 | J/mol×K | 761.45 | Joback Calculated Property |
| Cp,gas | 827.83 | J/mol×K | 790.74 | Joback Calculated Property |
| Cp,gas | 843.52 | J/mol×K | 820.04 | Joback Calculated Property |
| Cp,gas | 858.48 | J/mol×K | 849.33 | Joback Calculated Property |
| Cp,gas | 872.72 | J/mol×K | 878.62 | Joback Calculated Property |
| Cp,gas | 886.31 | J/mol×K | 907.92 | Joback Calculated Property |
| Cp,gas | 899.26 | J/mol×K | 937.21 | Joback Calculated Property |
| η | [0.0000210; 0.0023727] | Pa×s | [398.29; 761.45] |
|
| η | 0.0023727 | Pa×s | 398.29 | Joback Calculated Property |
| η | 0.0006419 | Pa×s | 458.82 | Joback Calculated Property |
| η | 0.0002355 | Pa×s | 519.34 | Joback Calculated Property |
| η | 0.0001065 | Pa×s | 579.87 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 640.40 | Joback Calculated Property |
| η | 0.0000329 | Pa×s | 700.92 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 761.45 | Joback Calculated Property |
| ΔfusH | [27.03; 61.55] | kJ/mol | [317.60; 371.20] |
|
| ΔfusH | 61.55 | kJ/mol | 317.60 | NIST |
| ΔfusH | 27.03 | kJ/mol | 371.20 | NIST |
| ΔvapH | [82.30; 133.00] | kJ/mol | [298.00; 539.50] |
|
| ΔvapH | 133.00 | kJ/mol | 298.00 | Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids |
| ΔvapH | 82.30 | kJ/mol | 539.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [507.20; 561.20] | K | [2.00; 13.30] |
|
| Tboilr | 507.20 | K | 2.00 | NIST |
| Tboilr | 561.20 | K | 13.30 | NIST |
Similar Compounds
Find more compounds similar to 9-Octadecenoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids
- Joback Method
- McGowan Method
- NIST Webbook
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