- InChI
- InChI=1S/C22H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)26-20-21(23)19-25-2/h4-5,7-8,10-11,21,23H,3,6,9,12-20H2,1-2H3/b5-4-,8-7-,11-10-
- InChI Key
- SVIBSCITSCGOHB-YSTUJMKBSA-N
- Formula
- C22H38O4
- SMILES
-
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O
)COC - Molecular Weight1
- 366.53
- 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° | 59.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.05 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.126 | Crippen Calculated Property | |
| McVol | 327.120 | ml/mol | McGowan Calculated Property |
| Inp | [2636.30; 2636.30] |
|
|
| Inp | 2636.30 | NIST | |
| Inp | 2636.30 | NIST | |
| Tboil | 648.51 | K | Relay (1.0) Calculated Property |
| Tc | 830.43 | K | Relay (1.0) Calculated Property |
| Tfus | 307.14 | 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 | [1053.66; 1144.11] | J/mol×K | [887.82; 1086.98] |
|
| Cp,gas | 1053.66 | J/mol×K | 887.82 | Joback Calculated Property |
| Cp,gas | 1071.00 | J/mol×K | 921.01 | Joback Calculated Property |
| Cp,gas | 1087.35 | J/mol×K | 954.21 | Joback Calculated Property |
| Cp,gas | 1102.78 | J/mol×K | 987.40 | Joback Calculated Property |
| Cp,gas | 1117.33 | J/mol×K | 1020.59 | Joback Calculated Property |
| Cp,gas | 1131.09 | J/mol×K | 1053.79 | Joback Calculated Property |
| Cp,gas | 1144.11 | J/mol×K | 1086.98 | Joback Calculated Property |
| η | [0.0000032; 0.0007341] | Pa×s | [432.84; 887.82] |
|
| η | 0.0007341 | Pa×s | 432.84 | Joback Calculated Property |
| η | 0.0001516 | Pa×s | 508.67 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 584.50 | Joback Calculated Property |
| η | 0.0000192 | Pa×s | 660.33 | Joback Calculated Property |
| η | 0.0000094 | Pa×s | 736.16 | Joback Calculated Property |
| η | 0.0000052 | Pa×s | 811.99 | Joback Calculated Property |
| η | 0.0000032 | Pa×s | 887.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (9Z,12Z,15Z)-2-Hydroxy-3-methoxypropyl octadeca-9,12,15-trienoate.
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
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