- InChI
- InChI=1S/C28H46O/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/h18,20-22,24-25,29H,3,7-17H2,1-2,4-6H3/t20?,21-,22-,24?,25?,27?,28?/m1/s1
- InChI Key
- SLQKYSPHBZMASJ-MXRIHRFBSA-N
- Formula
- C28H46O
- SMILES
-
C=C(CCC(C)C1CCC2C3=C(CCC21C)C1
(C)CCC(O)CC1CC3)C(C)C - Molecular Weight1
- 398.66
- 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° | 289.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.44 | kJ/mol | Joback Calculated Property |
| log10WS | -8.51 | Crippen Calculated Property | |
| logPoct/wat | 7.699 | Crippen Calculated Property | |
| McVol | 359.210 | ml/mol | McGowan Calculated Property |
| Pc | 1056.88 | kPa | Joback Calculated Property |
| Inp | 3230.00 | NIST | |
| Tboil | 976.47 | K | Joback Calculated Property |
| Tc | 1202.38 | K | Joback Calculated Property |
| Tfus | 539.70 | K | Joback Calculated Property |
| Vc | 1.361 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1353.63; 1562.97] | J/mol×K | [976.47; 1202.38] | 
|
| Cp,gas | 1353.63 | J/mol×K | 976.47 | Joback Calculated Property |
| Cp,gas | 1385.21 | J/mol×K | 1014.12 | Joback Calculated Property |
| Cp,gas | 1417.64 | J/mol×K | 1051.77 | Joback Calculated Property |
| Cp,gas | 1451.28 | J/mol×K | 1089.43 | Joback Calculated Property |
| Cp,gas | 1486.49 | J/mol×K | 1127.08 | Joback Calculated Property |
| Cp,gas | 1523.60 | J/mol×K | 1164.73 | Joback Calculated Property |
| Cp,gas | 1562.97 | J/mol×K | 1202.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Methyl-5-«alpha»-cholesta-8,24(28)-dien-3-«beta»-ol.
Sources
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