- 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/h12,18-24,26,29H,7-11,13-17H2,1-6H3/t19?,20?,21-,22-,23?,24?,26?,27?,28?/m1/s1
- InChI Key
- TZMNZSROTXXMLX-MCEMEMKGSA-N
- Formula
- C28H48O
- SMILES
-
CC(C)C(C)CCC(C)C1CC=C2C3CCC4CC
(O)CCC4(C)C3CCC21C - 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 | 0.6934 | Relay (1.0) Calculated Property | |
| ΔfG° | 209.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -514.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.635 | Crippen Calculated Property | |
| McVol | 363.510 | ml/mol | McGowan Calculated Property |
| Pc | 1018.78 | kPa | Joback Calculated Property |
| Inp | 3215.00 | NIST | |
| Tboil | 695.57 | K | Relay (1.0) Calculated Property |
| Tc | 970.51 | K | Relay (1.0) Calculated Property |
| Tfus | 428.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.300 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1386.76; 1592.18] | J/mol×K | [969.82; 1193.49] | 
|
| Cp,gas | 1386.76 | J/mol×K | 969.82 | Joback Calculated Property |
| Cp,gas | 1418.35 | J/mol×K | 1007.10 | Joback Calculated Property |
| Cp,gas | 1450.56 | J/mol×K | 1044.38 | Joback Calculated Property |
| Cp,gas | 1483.71 | J/mol×K | 1081.65 | Joback Calculated Property |
| Cp,gas | 1518.15 | J/mol×K | 1118.93 | Joback Calculated Property |
| Cp,gas | 1554.19 | J/mol×K | 1156.21 | Joback Calculated Property |
| Cp,gas | 1592.18 | J/mol×K | 1193.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Methyl-5-«alpha»-cholest-14-en-3-«beta»-ol.
Sources
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