- InChI
- InChI=1S/C44H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-34(2)3)44(40,6)32-30-41(38)43/h25,34-35,37-41H,7-24,26-33H2,1-6H3/t35-,37+,38+,39-,40+,41+,43+,44-/m0/s1
- InChI Key
- PPQNZVDOBYGOLY-KWDPNGDESA-N
- Formula
- C44H78O2
- SMILES
-
CCCCCCCCCCCCCCCCC(=O)OC1CCC2(C
)C(=CCC3C2CCC2(C)C(C(C)CCCC(C) C)CCC32)C1 - Molecular Weight1
- 639.09
- CAS
- 24365-37-5
- Other Names
-
- (3«beta»)-cholest-5-en-3-yl heptadecanoate
- 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° | 249.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -930.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 78.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.15 | kJ/mol | Joback Calculated Property |
| log10WS | -14.71 | Crippen Calculated Property | |
| logPoct/wat | 13.811 | Crippen Calculated Property | |
| McVol | 590.520 | ml/mol | McGowan Calculated Property |
| Pc | 448.30 | kPa | Joback Calculated Property |
| Tboil | 1320.45 | K | Joback Calculated Property |
| Tc | 1701.43 | K | Joback Calculated Property |
| Tfus | 730.32 | K | Joback Calculated Property |
| Vc | 2.279 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2626.41; 3384.36] | J/mol×K | [1320.45; 1701.43] | 
|
| Cp,gas | 2626.41 | J/mol×K | 1320.45 | Joback Calculated Property |
| Cp,gas | 2722.28 | J/mol×K | 1383.95 | Joback Calculated Property |
| Cp,gas | 2827.91 | J/mol×K | 1447.44 | Joback Calculated Property |
| Cp,gas | 2945.10 | J/mol×K | 1510.94 | Joback Calculated Property |
| Cp,gas | 3075.70 | J/mol×K | 1574.44 | Joback Calculated Property |
| Cp,gas | 3221.51 | J/mol×K | 1637.93 | Joback Calculated Property |
| Cp,gas | 3384.36 | J/mol×K | 1701.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholesterol margarate.
Sources
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