- InChI
- InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-20,22-23,25-27H,7-10,12-18H2,1-6H3/t20-,22?,23?,25-,26+,27+,28+,29-/m0/s1
- InChI Key
- BHZSLZOJNSDNOI-JBJFYEOLSA-N
- Formula
- C29H48O2
- SMILES
-
CC(=O)OC1CCC2(C)C(CC=C3C2CCC2(
C)C3CCC2C(C)CCCC(C)C)C1 - Molecular Weight1
- 428.69
- CAS
- 17137-70-1
- Other Names
-
- Cholest-7-en-3«beta»-ol, acetate
- 3«beta»-Acetoxycholest-7-ene
- Cholest-7-en-3-ol acetate
- 7-Cholestenol acetate
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6777 | Relay (... Calculated Property | |
| ΔfG° | 123.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -700.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.22 | kJ/mol | Relay (... Calculated Property |
| IE | 8.00 | eV | Relay (... Calculated Property |
| log10WS | -7.46 | Relay (... Calculated Property | |
| logPoct/wat | 7.960 | Crippen Calculated Property | |
| McVol | 379.170 | ml/mol | McGowan Calculated Property |
| Pc | 927.81 | kPa | Joback Calculated Property |
| Inp | [3228.00; 3228.00] |
|
|
| Inp | 3228.00 | NIST | |
| Inp | 3228.00 | NIST | |
| Tboil | 688.72 | K | Relay (... Calculated Property |
| Tc | 964.25 | K | Relay (... Calculated Property |
| Tfus | 380.91 | K | Relay (... Calculated Property |
| Vc | 1.356 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1432.94; 1641.50] | J/mol×K | [977.25; 1206.29] |
|
| Cp,gas | 1432.94 | J/mol×K | 977.25 | Joback Calculated Property |
| Cp,gas | 1465.33 | J/mol×K | 1015.42 | Joback Calculated Property |
| Cp,gas | 1498.23 | J/mol×K | 1053.60 | Joback Calculated Property |
| Cp,gas | 1531.96 | J/mol×K | 1091.77 | Joback Calculated Property |
| Cp,gas | 1566.85 | J/mol×K | 1129.94 | Joback Calculated Property |
| Cp,gas | 1603.25 | J/mol×K | 1168.11 | Joback Calculated Property |
| Cp,gas | 1641.50 | J/mol×K | 1206.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholest-7-en-3-ol, acetate, (3«beta»)-.
Sources
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