- InChI
- InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-
- InChI Key
- BITHHVVYSMSWAG-KTKRTIGZSA-N
- Formula
- C20H38O2
- SMILES
- CCCCCCCC/C=C\CCCCCCCCCC(=O)O
- Molecular Weight1
- 310.52
- CAS
- 5561-99-9
- Other Names
-
- (11Z)-eicosenoic acid
- (Z)-11-Eicosenic acid
- (Z)-icos-11-enoic acid
- cis-11-eicosenoic acid (gondoic 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).
- 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).
- Pvap : Vapor 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 | 1.0990 | Relay (1.0) Calculated Property | |
| ΔfG° | -146.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -729.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.889 | Crippen Calculated Property | |
| McVol | 295.800 | ml/mol | McGowan Calculated Property |
| Pc | 1113.34 | kPa | Joback Calculated Property |
| Inp | 2356.90 | NIST | |
| Tboil | 612.40 | K | Relay (1.0) Calculated Property |
| Tc | 825.62 | K | Relay (1.0) Calculated Property |
| Tfus | 306.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.115 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [932.48; 1027.97] | J/mol×K | [806.87; 992.37] | 
|
| Cp,gas | 932.48 | J/mol×K | 806.87 | Joback Calculated Property |
| Cp,gas | 950.42 | J/mol×K | 837.79 | Joback Calculated Property |
| Cp,gas | 967.48 | J/mol×K | 868.70 | Joback Calculated Property |
| Cp,gas | 983.71 | J/mol×K | 899.62 | Joback Calculated Property |
| Cp,gas | 999.16 | J/mol×K | 930.54 | Joback Calculated Property |
| Cp,gas | 1013.90 | J/mol×K | 961.45 | Joback Calculated Property |
| Cp,gas | 1027.97 | J/mol×K | 992.37 | Joback Calculated Property |
| η | [0.0000562; 0.0007579] | Pa×s | [470.68; 806.87] |
|
| η | 0.0007579 | Pa×s | 470.68 | Joback Calculated Property |
| η | 0.0003901 | Pa×s | 526.71 | Joback Calculated Property |
| η | 0.0002281 | Pa×s | 582.74 | Joback Calculated Property |
| η | 0.0001466 | Pa×s | 638.77 | Joback Calculated Property |
| η | 0.0001011 | Pa×s | 694.81 | Joback Calculated Property |
| η | 0.0000738 | Pa×s | 750.84 | Joback Calculated Property |
| η | 0.0000562 | Pa×s | 806.87 | Joback Calculated Property |
| ΔfusH | 49.70 | kJ/mol | 296.50 | NIST |
| ΔvapH | 143.50 | kJ/mol | 298.15 | Vaporization, Sublimation and Fusion Enthalpies of Some Saturated and Unsaturated Long Chain Fatty Acids by Correlation Gas Chromatography |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [536.52; 730.07] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57636e+01 | |||
| Coefficient B | -6.23178e+03 | |||
| Coefficient C | -1.33846e+02 | |||
| Temperature range, min. | 536.52 | |||
| Temperature range, max. | 730.07 | |||
| Pvap | 1.33 | kPa | 536.52 | Calculated Property |
| Pvap | 2.92 | kPa | 558.03 | Calculated Property |
| Pvap | 5.94 | kPa | 579.53 | Calculated Property |
| Pvap | 11.30 | kPa | 601.04 | Calculated Property |
| Pvap | 20.32 | kPa | 622.54 | Calculated Property |
| Pvap | 34.79 | kPa | 644.05 | Calculated Property |
| Pvap | 57.01 | kPa | 665.55 | Calculated Property |
| Pvap | 89.92 | kPa | 687.06 | Calculated Property |
| Pvap | 137.06 | kPa | 708.56 | Calculated Property |
| Pvap | 202.65 | kPa | 730.07 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-11-Eicosenoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vaporization, Sublimation and Fusion Enthalpies of Some Saturated and Unsaturated Long Chain Fatty Acids by Correlation Gas Chromatography
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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