- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8606 | Relay (1.0) Calculated Property | |
| ΔfG° | -62.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -870.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.781 | Crippen Calculated Property | |
| McVol | 341.210 | ml/mol | McGowan Calculated Property |
| Pc | 946.75 | kPa | Joback 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 | 804.95 | K | Relay (1.0) Calculated Property |
| Tfus | 278.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.183 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1083.66; 1182.75] | J/mol×K | [858.81; 1052.68] |
|
| Cp,gas | 1083.66 | J/mol×K | 858.81 | Joback Calculated Property |
| Cp,gas | 1102.70 | J/mol×K | 891.12 | Joback Calculated Property |
| Cp,gas | 1120.66 | J/mol×K | 923.43 | Joback Calculated Property |
| Cp,gas | 1137.61 | J/mol×K | 955.74 | Joback Calculated Property |
| Cp,gas | 1153.57 | J/mol×K | 988.06 | Joback Calculated Property |
| Cp,gas | 1168.60 | J/mol×K | 1020.37 | Joback Calculated Property |
| Cp,gas | 1182.75 | J/mol×K | 1052.68 | Joback Calculated Property |
| η | [0.0000164; 0.0005205] | Pa×s | [435.35; 858.81] |
|
| η | 0.0005205 | Pa×s | 435.35 | Joback Calculated Property |
| η | 0.0001956 | Pa×s | 505.93 | Joback Calculated Property |
| η | 0.0000934 | Pa×s | 576.50 | Joback Calculated Property |
| η | 0.0000524 | Pa×s | 647.08 | Joback Calculated Property |
| η | 0.0000329 | Pa×s | 717.66 | Joback Calculated Property |
| η | 0.0000225 | Pa×s | 788.23 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 858.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (9Z,12Z,15Z)-1,3-Dimethoxypropan-2-yl octadeca-9,12,15-trienoate.
Sources
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