- InChI
- InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13?,14?,17?,18?,19?/m0/s1
- InChI Key
- IUNYGQONJQTULL-UXMFXKFTSA-N
- Formula
- C19H28O3
- SMILES
-
CC12CC(=O)C3C(CCC4CC(O)CCC43C)
C1CCC2=O - Molecular Weight1
- 304.42
- CAS
- 739-27-5
- Other Names
-
- 5«beta»-Androstane-11,17-dione, 3«alpha»-hydroxy-
- Ba 2684
- Etiocholanol-11-one
- 11-Ketoetiocholanolone
- 11-Oxoaetiocholanolone
- 11-Oxoetiocholanolone
- 3«alpha»-Hydroxy-11,17-dioxo-5«beta»-androstane
- 3«alpha»-Hydroxy-5«beta»-androstane-11,17-dione
- 5«beta»-Androstan-3«alpha»-ol-11,17-dione
- 3-Hydroxyandrostane-11,17-dione, (3«alpha»,5«beta»)-
- 3alpha-hydroxy-5beta-Androstane-11,17-dione
- NSC 53896
- 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).
- 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° | -124.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 3.138 | Crippen Calculated Property | |
| McVol | 244.140 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Tboil | 896.72 | K | Joback Calculated Property |
| Tc | 1140.10 | K | Joback Calculated Property |
| Tfus | 590.39 | K | Joback Calculated Property |
| Vc | 0.913 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [913.93; 1074.05] | J/mol×K | [896.72; 1140.10] | 
|
| Cp,gas | 913.93 | J/mol×K | 896.72 | Joback Calculated Property |
| Cp,gas | 939.35 | J/mol×K | 937.28 | Joback Calculated Property |
| Cp,gas | 964.88 | J/mol×K | 977.85 | Joback Calculated Property |
| Cp,gas | 990.81 | J/mol×K | 1018.41 | Joback Calculated Property |
| Cp,gas | 1017.44 | J/mol×K | 1058.97 | Joback Calculated Property |
| Cp,gas | 1045.09 | J/mol×K | 1099.53 | Joback Calculated Property |
| Cp,gas | 1074.05 | J/mol×K | 1140.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androstane-11,17-dione, 3-hydroxy-, (3«alpha»,5«beta»)-.
Sources
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