- InChI
- InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m0/s1
- InChI Key
- BBJQPKLGPMQWBU-LWDBVXGGSA-N
- Formula
- C43H76O2
- SMILES
-
CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)
C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C )CCC32)C1 - Molecular Weight1
- 625.06
- CAS
- 601-34-3
- Other Names
-
- Cholesterol palmitate
- Cholest-5-en-3-ol (3«beta»)-, hexadecanoate
- Cholesteryl hexadecanoate
- Hexadecanoic acid, cholesteryl ester
- 3«beta»-Hexadecanoyloxycholest-5-ene
- cholest-5-ene-3-beta-yl palmitate
- 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° | 241.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -910.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 76.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.93 | kJ/mol | Joback Calculated Property |
| log10WS | -14.30 | Crippen Calculated Property | |
| logPoct/wat | 13.421 | Crippen Calculated Property | |
| McVol | 576.430 | ml/mol | McGowan Calculated Property |
| Pc | 467.09 | kPa | Joback Calculated Property |
| Tboil | 1297.57 | K | Joback Calculated Property |
| Tc | 1656.43 | K | Joback Calculated Property |
| Tfus | 353.00 ± 0.50 | K | NIST |
| Vc | 2.223 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2537.13; 3205.83] | J/mol×K | [1297.57; 1656.43] | 
|
| Cp,gas | 2537.13 | J/mol×K | 1297.57 | Joback Calculated Property |
| Cp,gas | 2623.51 | J/mol×K | 1357.38 | Joback Calculated Property |
| Cp,gas | 2717.91 | J/mol×K | 1417.19 | Joback Calculated Property |
| Cp,gas | 2821.83 | J/mol×K | 1477.00 | Joback Calculated Property |
| Cp,gas | 2936.79 | J/mol×K | 1536.81 | Joback Calculated Property |
| Cp,gas | 3064.29 | J/mol×K | 1596.62 | Joback Calculated Property |
| Cp,gas | 3205.83 | J/mol×K | 1656.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholesteryl palmitate.
Sources
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