- InChI
- InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,12,18-22,24,26,29H,9,11,13-17H2,1-6H3/b8-7+/t19?,20?,21-,22-,24?,26?,27?,28?/m1/s1
- InChI Key
- GBKPDFLDLAOSND-PMJKJCSYSA-N
- Formula
- C28H44O
- SMILES
-
CC(C)C(C)C=CC(C)C1CC=C2C3=CCC4
CC(O)CCC4(C)C3CCC21C - Molecular Weight1
- 396.65
- 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° | 317.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.89 | kJ/mol | Joback Calculated Property |
| log10WS | -8.12 | Crippen Calculated Property | |
| logPoct/wat | 7.331 | Crippen Calculated Property | |
| McVol | 354.910 | ml/mol | McGowan Calculated Property |
| Pc | 1091.38 | kPa | Joback Calculated Property |
| Inp | 3170.00 | NIST | |
| Tboil | 982.79 | K | Joback Calculated Property |
| Tc | 1211.92 | K | Joback Calculated Property |
| Tfus | 536.10 | K | Joback Calculated Property |
| Vc | 1.339 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1326.55; 1540.54] | J/mol×K | [982.79; 1211.92] | 
|
| Cp,gas | 1326.55 | J/mol×K | 982.79 | Joback Calculated Property |
| Cp,gas | 1358.23 | J/mol×K | 1020.98 | Joback Calculated Property |
| Cp,gas | 1391.01 | J/mol×K | 1059.17 | Joback Calculated Property |
| Cp,gas | 1425.25 | J/mol×K | 1097.35 | Joback Calculated Property |
| Cp,gas | 1461.34 | J/mol×K | 1135.54 | Joback Calculated Property |
| Cp,gas | 1499.64 | J/mol×K | 1173.73 | Joback Calculated Property |
| Cp,gas | 1540.54 | J/mol×K | 1211.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Methyl-5-«alpha»-cholesta-7,14,22-dien-3-«beta»-ol.
Sources
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