- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.22; 1159.82] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.41620e+01 | |||
| Coefficient B | 2.07356e+00 | |||
| Coefficient C | -1.16540e-03 | |||
| Coefficient D | 2.37500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 498.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 612.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 714.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 805.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 886.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 957.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1019.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1073.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1119.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1159.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007306; 0.0000263] | Pa×s | [405.52; 721.95] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.48083e+01 | |||
| Coefficient B | 3.07656e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 405.52 | |||
| Temperature range, max. | 721.95 | |||
| η | 0.0007306 | Pa×s | 405.52 | Calculated Property |
| η | 0.0003988 | Pa×s | 440.68 | Calculated Property |
| η | 0.0002381 | Pa×s | 475.84 | Calculated Property |
| η | 0.0001526 | Pa×s | 511.00 | Calculated Property |
| η | 0.0001036 | Pa×s | 546.16 | Calculated Property |
| η | 0.0000737 | Pa×s | 581.32 | Calculated Property |
| η | 0.0000545 | Pa×s | 616.47 | Calculated Property |
| η | 0.0000416 | Pa×s | 651.63 | Calculated Property |
| η | 0.0000327 | Pa×s | 686.79 | Calculated Property |
| η | 0.0000263 | Pa×s | 721.95 | 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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