- InChI
- InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
- InChI Key
- DTOSIQBPPRVQHS-PDBXOOCHSA-N
- Formula
- C18H30O2
- SMILES
- CCC=CCC=CCC=CCCCCCCCC(=O)O
- Molecular Weight1
- 278.43
- CAS
- 463-40-1
- Other Names
-
- (Z,Z,Z)-9,12,15-Octadecatrienoic acid
- .alpha.-linolenic acid
- ALPHA-LINOLENIC ACID
- CIS,CIS,CIS-9,12,15-OCTADECATRIENOIC ACID
- Industrene 120
- all-cis-9,12,15-octadecatrienoic acid
- linolenic acid
- «alpha»-Linolenic acid
- 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).
- ν : Kinematic viscosity (m2/s).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | -2.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -572.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -508.80 | kJ/mol | NIST |
| ΔfusH° | 53.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.661 | Crippen Calculated Property | |
| McVol | 259.020 | ml/mol | McGowan Calculated Property |
| Pc | 1370.73 | kPa | Joback Calculated Property |
| Inp | [2099.00; 2162.00] |
|
|
| Inp | 2143.00 | NIST | |
| Inp | 2158.90 | NIST | |
| Inp | 2154.00 | NIST | |
| Inp | 2134.00 | NIST | |
| Inp | 2143.00 | NIST | |
| Inp | 2122.00 | NIST | |
| Inp | 2159.00 | NIST | |
| Inp | 2102.00 | NIST | |
| Inp | 2107.00 | NIST | |
| Inp | 2116.00 | NIST | |
| Inp | 2116.00 | NIST | |
| Inp | 2115.00 | NIST | |
| Inp | 2113.00 | NIST | |
| Inp | 2099.00 | NIST | |
| Inp | 2162.00 | NIST | |
| Inp | 2120.00 | NIST | |
| Inp | 2143.00 | NIST | |
| I | [3250.00; 3300.00] |
|
|
| I | 3292.00 | NIST | |
| I | 3250.00 | NIST | |
| I | 3292.00 | NIST | |
| I | 3300.00 | NIST | |
| I | 3292.00 | NIST | |
| I | 3250.00 | NIST | |
| Tboil | 605.53 | K | Relay (1.0) Calculated Property |
| Tc | 806.90 | K | Relay (1.0) Calculated Property |
| Tfus | 315.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.903 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Acentric Factor for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [765.06; 851.20] | J/mol×K | [769.43; 959.75] |
|
| Cp,gas | 765.06 | J/mol×K | 769.43 | Joback Calculated Property |
| Cp,gas | 781.11 | J/mol×K | 801.15 | Joback Calculated Property |
| Cp,gas | 796.38 | J/mol×K | 832.87 | Joback Calculated Property |
| Cp,gas | 810.95 | J/mol×K | 864.59 | Joback Calculated Property |
| Cp,gas | 824.90 | J/mol×K | 896.31 | Joback Calculated Property |
| Cp,gas | 838.29 | J/mol×K | 928.03 | Joback Calculated Property |
| Cp,gas | 851.20 | J/mol×K | 959.75 | Joback Calculated Property |
| η | [0.0000555; 0.0007925] | Pa×s | [437.98; 769.43] |
|
| η | 0.0007925 | Pa×s | 437.98 | Joback Calculated Property |
| η | 0.0003970 | Pa×s | 493.22 | Joback Calculated Property |
| η | 0.0002286 | Pa×s | 548.46 | Joback Calculated Property |
| η | 0.0001456 | Pa×s | 603.71 | Joback Calculated Property |
| η | 0.0001000 | Pa×s | 658.95 | Joback Calculated Property |
| η | 0.0000728 | Pa×s | 714.19 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 769.43 | Joback Calculated Property |
| ΔvapH | 136.90 | kJ/mol | 298.00 | Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids |
| ν | [0.0000051; 0.0000155] | m2/s | [293.15; 343.15] |
|
| ν | 0.0000155 | m2/s | 293.15 | Group Contribution Model for Predicting Viscosity of Fatty Compounds |
| ν | 0.0000124 | m2/s | 303.15 | Group Contribution Model for Predicting Viscosity of Fatty Compounds |
| ν | 0.0000089 | m2/s | 313.15 | Group Contribution Model for Predicting Viscosity of Fatty Compounds |
| ν | 0.0000073 | m2/s | 323.15 | Group Contribution Model for Predicting Viscosity of Fatty Compounds |
| ν | 0.0000060 | m2/s | 333.15 | Group Contribution Model for Predicting Viscosity of Fatty Compounds |
| ν | 0.0000051 | m2/s | 343.15 | Group Contribution Model for Predicting Viscosity of Fatty Compounds |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 504.20 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-.
Mixtures
- n-Hexane + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
- 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Heptane
- 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Pentane, 2,2,4-trimethyl-
- 1-Hexene + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
- Toluene + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
- 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Cyclohexane
- 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Methyl Alcohol
- 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Ethanol
- 1-Propanol + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
- 2-Propanol + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
- Trichloromethane + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
- 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Ethane, 1,2-dichloro-
- 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Ethyl Acetate
- 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Acetone
- Carbon dioxide + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Ethanol
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Phase equilibrium measurements of ternary systems formed by linoleic and linolenic acids in carbon dioxide/ethanol mixtures
- Activity coefficient at infinite dilution measurements for organic solutes (polar and non-polar) in fatty compounds Part II: C18 fatty acids
- Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids
- Group Contribution Model for Predicting Viscosity of Fatty Compounds
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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