- InChI
- InChI=1S/C22H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)26-21(19-23)20-25-2/h7-8,10-11,21,23H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-
- InChI Key
- NZORTWJTPAPCMO-NQLNTKRDSA-N
- Formula
- C22H40O4
- SMILES
-
CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)
COC - Molecular Weight1
- 368.55
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -183.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -797.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.34 | kJ/mol | Joback Calculated Property |
| log10WS | -6.06 | Crippen Calculated Property | |
| logPoct/wat | 5.350 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Pc | 1042.60 | kPa | Joback Calculated Property |
| Inp | [2654.60; 2654.60] |
|
|
| Inp | 2654.60 | NIST | |
| Inp | 2654.60 | NIST | |
| Tboil | 901.53 | K | Joback Calculated Property |
| Tc | 1104.50 | K | Joback Calculated Property |
| Tfus | 467.75 | K | Joback Calculated Property |
| Vc | 1.282 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1088.70; 1182.14] | J/mol×K | [901.53; 1104.50] |
|
| Cp,gas | 1088.70 | J/mol×K | 901.53 | Joback Calculated Property |
| Cp,gas | 1106.78 | J/mol×K | 935.36 | Joback Calculated Property |
| Cp,gas | 1123.79 | J/mol×K | 969.19 | Joback Calculated Property |
| Cp,gas | 1139.78 | J/mol×K | 1003.02 | Joback Calculated Property |
| Cp,gas | 1154.80 | J/mol×K | 1036.85 | Joback Calculated Property |
| Cp,gas | 1168.90 | J/mol×K | 1070.68 | Joback Calculated Property |
| Cp,gas | 1182.14 | J/mol×K | 1104.50 | Joback Calculated Property |
| η | [0.0000041; 0.0004619] | Pa×s | [467.75; 901.53] |
|
| η | 0.0004619 | Pa×s | 467.75 | Joback Calculated Property |
| η | 0.0001245 | Pa×s | 540.05 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 612.34 | Joback Calculated Property |
| η | 0.0000207 | Pa×s | 684.64 | Joback Calculated Property |
| η | 0.0000109 | Pa×s | 756.94 | Joback Calculated Property |
| η | 0.0000065 | Pa×s | 829.23 | Joback Calculated Property |
| η | 0.0000041 | Pa×s | 901.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (9Z,12Z)-1-Hydroxy-3-methoxypropan-2-yl octadeca-9,12-dienoate.
Sources
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