- InChI
- InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-21,23-24,28H,6,8-17H2,1-5H3/t19?,20-,21-,23?,24?,26?,27?/m1/s1
- InChI Key
- CGSJXLIKVBJVRY-DLHVSSPOSA-N
- Formula
- C27H44O
- SMILES
-
CC(C)=CCCC(C)C1CCC2C3=C(CCC21C
)C1(C)CCC(O)CC1CC3 - Molecular Weight1
- 384.64
- CAS
- 128-33-6
- Other Names
-
- 5«alpha»-Cholesta-8,24-dien-3«beta»-ol
- Cholest-8,24-dien-3«beta»-ol
- Zymosterol
- 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 | 0.6531 | Relay (1.0) Calculated Property | |
| ΔfG° | 275.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.453 | Crippen Calculated Property | |
| McVol | 345.120 | ml/mol | McGowan Calculated Property |
| Pc | 1127.59 | kPa | Joback Calculated Property |
| Inp | [3170.00; 3170.00] |
|
|
| Inp | 3170.00 | NIST | |
| Inp | 3170.00 | NIST | |
| Tboil | 697.60 | K | Relay (1.0) Calculated Property |
| Tc | 963.55 | K | Relay (1.0) Calculated Property |
| Tfus | 413.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.222 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1287.58; 1492.42] | J/mol×K | [961.51; 1187.24] |
|
| Cp,gas | 1287.58 | J/mol×K | 961.51 | Joback Calculated Property |
| Cp,gas | 1318.36 | J/mol×K | 999.13 | Joback Calculated Property |
| Cp,gas | 1350.02 | J/mol×K | 1036.75 | Joback Calculated Property |
| Cp,gas | 1382.90 | J/mol×K | 1074.38 | Joback Calculated Property |
| Cp,gas | 1417.35 | J/mol×K | 1112.00 | Joback Calculated Property |
| Cp,gas | 1453.74 | J/mol×K | 1149.62 | Joback Calculated Property |
| Cp,gas | 1492.42 | J/mol×K | 1187.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholesta-8,24-dien-3-ol, (3«beta»,5«alpha»)-.
Sources
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