- InChI
- InChI=1S/C39H76O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-41-37-34-38-42-39(40)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-38H2,1-2H3/b20-18-
- InChI Key
- DGJSXVYZCNEXGC-ZZEZOPTASA-N
- Formula
- C39H76O3
- SMILES
-
CCCCCCCCC=CCCCCCCCC(=O)OCCCOCC
CCCCCCCCCCCCCCCC - Molecular Weight1
- 593.02
- 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° | 18.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1108.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 100.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.93 | kJ/mol | Joback Calculated Property |
| log10WS | -13.95 | Crippen Calculated Property | |
| logPoct/wat | 13.235 | Crippen Calculated Property | |
| McVol | 569.380 | ml/mol | McGowan Calculated Property |
| Pc | 419.74 | kPa | Joback Calculated Property |
| Inp | [385.30; 403.60] |
|
|
| Inp | 402.80 | NIST | |
| Inp | 403.60 | NIST | |
| Inp | 385.30 | NIST | |
| Tboil | 1194.59 | K | Joback Calculated Property |
| Tc | 1624.89 | K | Joback Calculated Property |
| Tfus | 618.60 | K | Joback Calculated Property |
| Vc | 2.241 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2162.48; 2332.57] | J/mol×K | [1194.59; 1624.89] |
|
| Cp,gas | 2162.48 | J/mol×K | 1194.59 | Joback Calculated Property |
| Cp,gas | 2200.64 | J/mol×K | 1266.31 | Joback Calculated Property |
| Cp,gas | 2233.75 | J/mol×K | 1338.02 | Joback Calculated Property |
| Cp,gas | 2262.65 | J/mol×K | 1409.74 | Joback Calculated Property |
| Cp,gas | 2288.19 | J/mol×K | 1481.46 | Joback Calculated Property |
| Cp,gas | 2311.22 | J/mol×K | 1553.17 | Joback Calculated Property |
| Cp,gas | 2332.57 | J/mol×K | 1624.89 | Joback Calculated Property |
| η | [0.0000025; 0.0000799] | Pa×s | [618.60; 1194.59] |
|
| η | 0.0000799 | Pa×s | 618.60 | Joback Calculated Property |
| η | 0.0000304 | Pa×s | 714.60 | Joback Calculated Property |
| η | 0.0000146 | Pa×s | 810.60 | Joback Calculated Property |
| η | 0.0000081 | Pa×s | 906.59 | Joback Calculated Property |
| η | 0.0000051 | Pa×s | 1002.59 | Joback Calculated Property |
| η | 0.0000035 | Pa×s | 1098.59 | Joback Calculated Property |
| η | 0.0000025 | Pa×s | 1194.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Octadecyloxy)propyl oleate.
Sources
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