- InChI
- InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3+,7-6-,10-9-
- InChI Key
- GGJRAQULURVTAJ-PDBXOOCHSA-N
- Formula
- C21H36O4
- SMILES
-
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O
)OCC(O)CO - Molecular Weight1
- 352.51
- Other Names
-
- 2-Monolinolenin
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 59.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.26 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.472 | Crippen Calculated Property | |
| McVol | 313.030 | ml/mol | McGowan Calculated Property |
| Inp | [2161.00; 2161.00] |
|
|
| Inp | 2161.00 | NIST | |
| Inp | 2161.00 | NIST | |
| Tboil | 654.10 | K | Relay (1.0) Calculated Property |
| Tc | 858.12 | K | Relay (1.0) Calculated Property |
| Tfus | 299.42 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1027.63; 1114.48] | J/mol×K | [934.70; 1147.64] |
|
| Cp,gas | 1027.63 | J/mol×K | 934.70 | Joback Calculated Property |
| Cp,gas | 1043.94 | J/mol×K | 970.19 | Joback Calculated Property |
| Cp,gas | 1059.40 | J/mol×K | 1005.68 | Joback Calculated Property |
| Cp,gas | 1074.09 | J/mol×K | 1041.17 | Joback Calculated Property |
| Cp,gas | 1088.11 | J/mol×K | 1076.66 | Joback Calculated Property |
| Cp,gas | 1101.54 | J/mol×K | 1112.15 | Joback Calculated Property |
| Cp,gas | 1114.48 | J/mol×K | 1147.64 | Joback Calculated Property |
| η | [0.0000006; 0.0005162] | Pa×s | [460.16; 934.70] |
|
| η | 0.0005162 | Pa×s | 460.16 | Joback Calculated Property |
| η | 0.0000743 | Pa×s | 539.25 | Joback Calculated Property |
| η | 0.0000175 | Pa×s | 618.34 | Joback Calculated Property |
| η | 0.0000057 | Pa×s | 697.43 | Joback Calculated Property |
| η | 0.0000024 | Pa×s | 776.52 | Joback Calculated Property |
| η | 0.0000011 | Pa×s | 855.61 | Joback Calculated Property |
| η | 0.0000006 | Pa×s | 934.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Monolinolenin.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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