- InChI
- InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3
- InChI Key
- JQMQKOQOLPGBBE-UHFFFAOYSA-N
- Formula
- C27H46O2
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CC(=O)C4CC
(O)CCC4(C)C3CCC12C - Molecular Weight1
- 402.65
- CAS
- 1175-06-0
- Other Names
-
- Cholestan-6-one, 3-hydroxy-, (3«beta»,5«alpha»)-
- 5«alpha»-Cholestan-6-one, 3«beta»-hydroxy-
- 6-Oxocholestanol
- 3-Hydroxycholestan-6-one, (3«beta»,5«alpha»)-
- 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° | 52.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.82 | kJ/mol | Joback Calculated Property |
| log10WS | -7.18 | Crippen Calculated Property | |
| logPoct/wat | 6.648 | Crippen Calculated Property | |
| McVol | 355.290 | ml/mol | McGowan Calculated Property |
| Pc | 1065.18 | kPa | Joback Calculated Property |
| Inp | [3340.00; 3340.00] |
|
|
| Inp | 3340.00 | NIST | |
| Inp | 3340.00 | NIST | |
| Tboil | 1006.39 | K | Joback Calculated Property |
| Tc | 1237.27 | K | Joback Calculated Property |
| Tfus | 578.09 | K | Joback Calculated Property |
| Vc | 1.341 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1405.61; 1614.22] | J/mol×K | [1006.39; 1237.27] |
|
| Cp,gas | 1405.61 | J/mol×K | 1006.39 | Joback Calculated Property |
| Cp,gas | 1437.78 | J/mol×K | 1044.87 | Joback Calculated Property |
| Cp,gas | 1470.57 | J/mol×K | 1083.35 | Joback Calculated Property |
| Cp,gas | 1504.28 | J/mol×K | 1121.83 | Joback Calculated Property |
| Cp,gas | 1539.25 | J/mol×K | 1160.31 | Joback Calculated Property |
| Cp,gas | 1575.79 | J/mol×K | 1198.79 | Joback Calculated Property |
| Cp,gas | 1614.22 | J/mol×K | 1237.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Ketocholestanol.
Sources
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