- InChI
- InChI=1S/C23H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)27-22(20-25-2)21-26-3/h5-6,8-9,11-12,22H,4,7,10,13-21H2,1-3H3/b6-5-,9-8-,12-11-
- InChI Key
- QPFZAJNULXRTLB-AGRJPVHOSA-N
- Formula
- C23H40O4
- SMILES
-
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO
C)COC - Molecular Weight1
- 380.56
- 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° | 59.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.63 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.781 | Crippen Calculated Property | |
| McVol | 341.210 | ml/mol | McGowan Calculated Property |
| Inp | [2608.30; 2608.30] |
|
|
| Inp | 2608.30 | NIST | |
| Inp | 2608.30 | NIST | |
| Tboil | 633.09 | K | Relay (1.0) Calculated Property |
| Tc | 808.58 | K | Relay (1.0) Calculated Property |
| Tfus | 276.30 | 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 | [1074.99; 1173.66] | J/mol×K | [840.94; 1031.36] |
|
| Cp,gas | 1074.99 | J/mol×K | 840.94 | Joback Calculated Property |
| Cp,gas | 1094.02 | J/mol×K | 872.68 | Joback Calculated Property |
| Cp,gas | 1111.96 | J/mol×K | 904.41 | Joback Calculated Property |
| Cp,gas | 1128.85 | J/mol×K | 936.15 | Joback Calculated Property |
| Cp,gas | 1144.73 | J/mol×K | 967.89 | Joback Calculated Property |
| Cp,gas | 1159.65 | J/mol×K | 999.62 | Joback Calculated Property |
| Cp,gas | 1173.66 | J/mol×K | 1031.36 | Joback Calculated Property |
| η | [0.0000144; 0.0007306] | Pa×s | [405.52; 840.94] |
|
| η | 0.0007306 | Pa×s | 405.52 | Joback Calculated Property |
| η | 0.0002310 | Pa×s | 478.09 | Joback Calculated Property |
| η | 0.0000989 | Pa×s | 550.66 | Joback Calculated Property |
| η | 0.0000516 | Pa×s | 623.23 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 695.80 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 768.37 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 840.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (9Z,12Z,15Z)-1,3-Dimethoxypropan-2-yl 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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