- InChI
- InChI=1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3/t24-,27+,28+,29-,30+,31+,33+,34-/m0/s1
- InChI Key
- UVZUFUGNHDDLRQ-QGRFRJTBSA-N
- Formula
- C34H50O2
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC
(=O)c5ccccc5)CCC4(C)C3CCC12C - Molecular Weight1
- 490.76
- CAS
- 604-32-0
- Other Names
-
- 5-Cholesten-3«beta»-ol benzoate
- Cholesterol benzoate
- Cholest-5-en-3-ol (3«beta»)-, benzoate
- cholest-5-ene-3-beta-yl benzoate
- 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 | 0.7868 | Relay (1.0) Calculated Property | |
| ΔfG° | 277.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -536.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 155.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.253 | Crippen Calculated Property | |
| McVol | 425.860 | ml/mol | McGowan Calculated Property |
| Pc | 849.00 | kPa | Joback Calculated Property |
| Tboil | 745.18 | K | Relay (1.0) Calculated Property |
| Tc | 1042.56 | K | Relay (1.0) Calculated Property |
| Tfus | 406.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.519 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1700.28; 1990.74] | J/mol×K | [1118.33; 1371.90] | 
|
| Cp,gas | 1700.28 | J/mol×K | 1118.33 | Joback Calculated Property |
| Cp,gas | 1741.66 | J/mol×K | 1160.59 | Joback Calculated Property |
| Cp,gas | 1785.20 | J/mol×K | 1202.85 | Joback Calculated Property |
| Cp,gas | 1831.38 | J/mol×K | 1245.12 | Joback Calculated Property |
| Cp,gas | 1880.70 | J/mol×K | 1287.38 | Joback Calculated Property |
| Cp,gas | 1933.65 | J/mol×K | 1329.64 | Joback Calculated Property |
| Cp,gas | 1990.74 | J/mol×K | 1371.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholesteryl benzoate.
Sources
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