- InChI
- InChI=1S/C28H48O/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/h18-22,24-25,29H,7-17H2,1-6H3/t19?,20?,21-,22-,24?,25?,27?,28?/m1/s1
- InChI Key
- RFSQQROZMSPZKI-LHAOKBKSSA-N
- Formula
- C28H48O
- SMILES
-
CC(C)C(C)CCC(C)C1CCC2C3=C(CCC2
1C)C1(C)CCC(O)CC1CC3 - Molecular Weight1
- 400.68
- 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 | 0.7034 | Relay (... Calculated Property | |
| ΔfG° | 207.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -495.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 141.12 | kJ/mol | Relay (... Calculated Property |
| IE | 8.04 | eV | Relay (... Calculated Property |
| log10WS | -6.96 | Relay (... Calculated Property | |
| logPoct/wat | 7.779 | Crippen Calculated Property | |
| McVol | 363.510 | ml/mol | McGowan Calculated Property |
| Pc | 1030.59 | kPa | Joback Calculated Property |
| Inp | 3260.00 | NIST | |
| Tboil | 698.17 | K | Relay (... Calculated Property |
| Tc | 969.63 | K | Relay (... Calculated Property |
| Tfus | 416.14 | K | Relay (... Calculated Property |
| Vc | 1.302 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1385.21; 1595.24] | J/mol×K | [979.47; 1204.63] | 
|
| Cp,gas | 1385.21 | J/mol×K | 979.47 | Joback Calculated Property |
| Cp,gas | 1417.14 | J/mol×K | 1017.00 | Joback Calculated Property |
| Cp,gas | 1449.85 | J/mol×K | 1054.52 | Joback Calculated Property |
| Cp,gas | 1483.68 | J/mol×K | 1092.05 | Joback Calculated Property |
| Cp,gas | 1518.96 | J/mol×K | 1129.58 | Joback Calculated Property |
| Cp,gas | 1556.03 | J/mol×K | 1167.11 | Joback Calculated Property |
| Cp,gas | 1595.24 | J/mol×K | 1204.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Methyl-5-«alpha»-cholest-8-en-3-«beta»-ol.
Sources
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