- InChI
- InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m0/s1
- InChI Key
- RJECHNNFRHZQKU-VDPFXVTESA-N
- Formula
- C45H78O2
- SMILES
-
CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2
(C)C(=CCC3C2CCC2(C)C(C(C)CCCC( C)C)CCC32)C1 - Molecular Weight1
- 651.10
- CAS
- 303-43-5
- Other Names
-
- Cholesterol, oleate
- Cholesteroyl-oleate
- Cholesteryl cis-9-octadecenoate
- Cholesteryl oleate
- Oleoylcholesterol
- cholest-5-en-3-«beta»-yl oleate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | 338.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -834.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 81.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.34 | kJ/mol | Joback Calculated Property |
| log10WS | -14.99 | Crippen Calculated Property | |
| logPoct/wat | 13.977 | Crippen Calculated Property | |
| McVol | 600.310 | ml/mol | McGowan Calculated Property |
| Pc | 440.06 | kPa | Joback Calculated Property |
| Tboil | 1347.49 | K | Joback Calculated Property |
| Tc | 1742.63 | K | Joback Calculated Property |
| Tfus | 321.10 ± 0.50 | K | NIST |
| Vc | 2.314 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2700.18; 3579.45] | J/mol×K | [1347.49; 1742.63] | 
|
| Cp,gas | 2700.18 | J/mol×K | 1347.49 | Joback Calculated Property |
| Cp,gas | 2808.66 | J/mol×K | 1413.35 | Joback Calculated Property |
| Cp,gas | 2929.52 | J/mol×K | 1479.20 | Joback Calculated Property |
| Cp,gas | 3064.90 | J/mol×K | 1545.06 | Joback Calculated Property |
| Cp,gas | 3216.92 | J/mol×K | 1610.92 | Joback Calculated Property |
| Cp,gas | 3387.73 | J/mol×K | 1676.77 | Joback Calculated Property |
| Cp,gas | 3579.45 | J/mol×K | 1742.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholest-5-en-3-ol (3«beta»)-, 9-octadecenoate, (Z)-.
Sources
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