- InChI
- InChI=1S/C29H46O2/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/h8,20,22-23,25-26H,7,9-18H2,1-6H3/t20?,22-,23-,25?,26?,28?,29?/m1/s1
- InChI Key
- ICNJVDYAAWEPCH-GPDNFOSISA-N
- Formula
- C29H46O2
- SMILES
-
CC(=O)OC1CCC2(C)C3=C(CCC2C1)C1
CCC(C(C)CCC=C(C)C)C1(C)CC3 - Molecular Weight1
- 426.67
- CAS
- 2579-07-9
- Other Names
-
- 5«alpha»-Cholesta-8,24-dien-3«beta»-ol, acetate
- Zymosterol acetate
- Cholesta-8,24-dien-3-yl acetate, (3«beta»,5«alpha»)-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 195.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.16 | kJ/mol | Joback Calculated Property |
| log10WS | -8.77 | Crippen Calculated Property | |
| logPoct/wat | 8.024 | Crippen Calculated Property | |
| McVol | 374.870 | ml/mol | McGowan Calculated Property |
| Pc | 966.87 | kPa | Joback Calculated Property |
| Inp | 3237.00 | NIST | |
| Tboil | 991.38 | K | Joback Calculated Property |
| Tc | 1225.48 | K | Joback Calculated Property |
| Tfus | 573.99 | K | Joback Calculated Property |
| Vc | 1.427 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1403.83; 1624.94] | J/mol×K | [991.38; 1225.48] | 
|
| Cp,gas | 1403.83 | J/mol×K | 991.38 | Joback Calculated Property |
| Cp,gas | 1437.07 | J/mol×K | 1030.40 | Joback Calculated Property |
| Cp,gas | 1471.26 | J/mol×K | 1069.41 | Joback Calculated Property |
| Cp,gas | 1506.76 | J/mol×K | 1108.43 | Joback Calculated Property |
| Cp,gas | 1543.95 | J/mol×K | 1147.45 | Joback Calculated Property |
| Cp,gas | 1583.22 | J/mol×K | 1186.46 | Joback Calculated Property |
| Cp,gas | 1624.94 | J/mol×K | 1225.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholesta-8,24-dien-3-ol, acetate, (3«beta»,5«alpha»)-.
Sources
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