- InChI
- InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-
- InChI Key
- DPUOLQHDNGRHBS-KTKRTIGZSA-N
- Formula
- C22H42O2
- SMILES
- CCCCCCCCC=CCCCCCCCCCCCC(=O)O
- Molecular Weight1
- 338.57
- CAS
- 112-86-7
- Other Names
-
- (13Z)-13-docosenoic acid
- (Z)-13-Docosenoic acid
- (Z)-docos-13-enoic acid
- 13-Docosenoic acid, (Z)-
- 13-docosenoic acid (Z)
- Prifrac 2990
- cis-13-docosenoic acid
- «delta»13-cis-Docosenoic 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).
- 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 | 1.1704 | Relay (1.0) Calculated Property | |
| ΔfG° | -129.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -791.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 141.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.669 | Crippen Calculated Property | |
| McVol | 323.980 | ml/mol | McGowan Calculated Property |
| Pc | 983.31 | kPa | Joback Calculated Property |
| Tboil | 632.88 | K | Relay (1.0) Calculated Property |
| Tc | 837.37 | K | Relay (1.0) Calculated Property |
| Tfus | 326.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.235 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1054.55; 1155.41] | J/mol×K | [852.63; 1044.55] | 
|
| Cp,gas | 1054.55 | J/mol×K | 852.63 | Joback Calculated Property |
| Cp,gas | 1073.52 | J/mol×K | 884.62 | Joback Calculated Property |
| Cp,gas | 1091.55 | J/mol×K | 916.60 | Joback Calculated Property |
| Cp,gas | 1108.68 | J/mol×K | 948.59 | Joback Calculated Property |
| Cp,gas | 1125.00 | J/mol×K | 980.58 | Joback Calculated Property |
| Cp,gas | 1140.55 | J/mol×K | 1012.57 | Joback Calculated Property |
| Cp,gas | 1155.41 | J/mol×K | 1044.55 | Joback Calculated Property |
| η | [0.0000422; 0.0006113] | Pa×s | [493.22; 852.63] |
|
| η | 0.0006113 | Pa×s | 493.22 | Joback Calculated Property |
| η | 0.0003076 | Pa×s | 553.12 | Joback Calculated Property |
| η | 0.0001771 | Pa×s | 613.02 | Joback Calculated Property |
| η | 0.0001124 | Pa×s | 672.92 | Joback Calculated Property |
| η | 0.0000769 | Pa×s | 732.83 | Joback Calculated Property |
| η | 0.0000557 | Pa×s | 792.73 | Joback Calculated Property |
| η | 0.0000422 | Pa×s | 852.63 | Joback Calculated Property |
| ΔfusH | 54.00 | kJ/mol | 307.20 | NIST |
| ΔvapH | [98.20; 154.50] | kJ/mol | [298.00; 567.00] |
|
| ΔvapH | 154.50 | kJ/mol | 298.00 | Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids |
| ΔvapH | 98.20 | kJ/mol | 567.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 631.20 | K | 53.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [562.12; 748.59] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.66104e+01 | |||
| Coefficient B | -6.84544e+03 | |||
| Coefficient C | -1.42742e+02 | |||
| Temperature range, min. | 562.12 | |||
| Temperature range, max. | 748.59 | |||
| Pvap | 1.33 | kPa | 562.12 | Calculated Property |
| Pvap | 2.87 | kPa | 582.84 | Calculated Property |
| Pvap | 5.79 | kPa | 603.56 | Calculated Property |
| Pvap | 10.96 | kPa | 624.28 | Calculated Property |
| Pvap | 19.71 | kPa | 645.00 | Calculated Property |
| Pvap | 33.82 | kPa | 665.71 | Calculated Property |
| Pvap | 55.69 | kPa | 686.43 | Calculated Property |
| Pvap | 88.41 | kPa | 707.15 | Calculated Property |
| Pvap | 135.83 | kPa | 727.87 | Calculated Property |
| Pvap | 202.65 | kPa | 748.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Erucic 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
- The Yaws Handbook of Vapor Pressure
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