- InChI
- InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9H,2-7,10-17H2,1H3,(H,19,20)/b9-8+
- InChI Key
- QXJSBBXBKPUZAA-CMDGGOBGSA-N
- Formula
- C18H34O2
- SMILES
- CCCCCCCC=CCCCCCCCCC(=O)O
- Molecular Weight1
- 282.46
- CAS
- 693-72-1
- Other Names
-
- (E)-octadec-11-enoic acid
- Vaccenic acid
- trans-11-octadecenoic acid
- trans-Vaccenic acid
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- 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 | 1.0298 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.03 | kJ/mol | Relay (1.0) Calculated Property |
| 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 |
| Tboil | 606.18 | K | Relay (1.0) Calculated Property |
| Tc | 801.81 | K | Relay (1.0) Calculated Property |
| Tfus | 316.65 ± 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 | [55.62; 58.49] | kJ/mol | [317.00; 318.00] |
|
| ΔfusH | 58.49 | kJ/mol | 317.00 | NIST |
| ΔfusH | 55.62 | kJ/mol | 318.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.36; 203.46] | kPa | [514.15; 709.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52924e+01 | |||
| Coefficient B | -5.81882e+03 | |||
| Coefficient C | -1.25923e+02 | |||
| Temperature range, min. | 514.15 | |||
| Temperature range, max. | 709.15 | |||
| Pvap | 1.36 | kPa | 514.15 | Calculated Property |
| Pvap | 2.99 | kPa | 535.82 | Calculated Property |
| Pvap | 6.11 | kPa | 557.48 | Calculated Property |
| Pvap | 11.63 | kPa | 579.15 | Calculated Property |
| Pvap | 20.90 | kPa | 600.82 | Calculated Property |
| Pvap | 35.66 | kPa | 622.48 | Calculated Property |
| Pvap | 58.21 | kPa | 644.15 | Calculated Property |
| Pvap | 91.35 | kPa | 665.82 | Calculated Property |
| Pvap | 138.45 | kPa | 687.48 | Calculated Property |
| Pvap | 203.46 | kPa | 709.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 11-Octadecenoic acid, (E)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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