- InChI
- InChI=1S/C37H64O2/c1-7-8-9-10-11-12-13-17-35(38)39-30-22-24-36(5)29(26-30)18-19-31-33-21-20-32(28(4)16-14-15-27(2)3)37(33,6)25-23-34(31)36/h18,27-28,30-34H,7-17,19-26H2,1-6H3/t28-,30+,31+,32-,33+,34+,36+,37-/m0/s1
- InChI Key
- LJGMGXXCKVFFIS-ZOFIJQIFSA-N
- Formula
- C37H64O2
- SMILES
-
CCCCCCCCCC(=O)OC1CCC2(C)C(=CCC
3C2CCC2(C)C(C(C)CCCC(C)C)CCC32 )C1 - Molecular Weight1
- 540.90
- CAS
- 1183-04-6
- Other Names
-
- Cholesteryl decanoate
- 5-Cholesten-3«beta»-ol decylate
- Cholest-5-en-3-ol (3«beta»)-, decanoate
- 3«beta»-Decanoyloxycholest-5-ene
- cholest-5-en-3-«beta»-yl decanoate
- (3«beta»)-cholest-5-3-yl decanoate
- 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° | 190.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.57 | kJ/mol | Joback Calculated Property |
| log10WS | -11.78 | Crippen Calculated Property | |
| logPoct/wat | 11.080 | Crippen Calculated Property | |
| McVol | 491.890 | ml/mol | McGowan Calculated Property |
| Pc | 609.36 | kPa | Joback Calculated Property |
| Tboil | 1160.29 | K | Joback Calculated Property |
| Tc | 1428.97 | K | Joback Calculated Property |
| Tfus | 651.43 | K | Joback Calculated Property |
| Vc | 1.887 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2033.01; 2386.68] | J/mol×K | [1160.29; 1428.97] | 
|
| Cp,gas | 2033.01 | J/mol×K | 1160.29 | Joback Calculated Property |
| Cp,gas | 2083.43 | J/mol×K | 1205.07 | Joback Calculated Property |
| Cp,gas | 2136.47 | J/mol×K | 1249.85 | Joback Calculated Property |
| Cp,gas | 2192.72 | J/mol×K | 1294.63 | Joback Calculated Property |
| Cp,gas | 2252.78 | J/mol×K | 1339.41 | Joback Calculated Property |
| Cp,gas | 2317.23 | J/mol×K | 1384.19 | Joback Calculated Property |
| Cp,gas | 2386.68 | J/mol×K | 1428.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholesteryl caprate.
Sources
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