- InChI
- InChI=1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m0/s1
- InChI Key
- WCLNGBQPTVENHV-SPICIWKBSA-N
- Formula
- C36H62O2
- SMILES
-
CCCCCCCCC(=O)OC1CCC2(C)C(=CCC3
C2CCC2(C)C(C(C)CCCC(C)C)CCC32) C1 - Molecular Weight1
- 526.88
- CAS
- 1182-66-7
- Other Names
-
- Cholesterol, nonanoate
- Cholesterol pelargonate
- Cholesteryl nonanoate
- Cholesteryl nonylate
- Cholesteryl pelargonate
- 5-Cholesten-3«beta»-ol pelargonate
- cholest-5-ene-3-beta-yl nonanoate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9324 | Relay (... Calculated Property | |
| ΔfG° | 182.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -829.63 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 58.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 154.08 | kJ/mol | Relay (... Calculated Property |
| IE | 8.67 | eV | Relay (... Calculated Property |
| log10WS | -9.44 | Relay (... Calculated Property | |
| logPoct/wat | 10.690 | Crippen Calculated Property | |
| McVol | 477.800 | ml/mol | McGowan Calculated Property |
| Pc | 639.30 | kPa | Joback Calculated Property |
| Tboil | 733.78 | K | Relay (... Calculated Property |
| Tc | 1009.40 | K | Relay (... Calculated Property |
| Tfus | 375.51 | K | Relay (... Calculated Property |
| Vc | 1.723 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1953.79; 2278.31] | J/mol×K | [1137.41; 1396.89] | 
|
| Cp,gas | 1953.79 | J/mol×K | 1137.41 | Joback Calculated Property |
| Cp,gas | 2000.65 | J/mol×K | 1180.66 | Joback Calculated Property |
| Cp,gas | 2049.70 | J/mol×K | 1223.90 | Joback Calculated Property |
| Cp,gas | 2101.45 | J/mol×K | 1267.15 | Joback Calculated Property |
| Cp,gas | 2156.46 | J/mol×K | 1310.40 | Joback Calculated Property |
| Cp,gas | 2215.23 | J/mol×K | 1353.64 | Joback Calculated Property |
| Cp,gas | 2278.31 | J/mol×K | 1396.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholest-5-en-3-ol (3«beta»)-, nonanoate.
Sources
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