- InChI
- InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14?,15?,16?,18?,19?/m0/s1
- InChI Key
- QGXBDMJGAMFCBF-LISVHTKMSA-N
- Formula
- C19H30O2
- SMILES
-
CC12CCC3C(CCC4CC(O)CCC43C)C1CC
C2=O - Molecular Weight1
- 290.44
- CAS
- 571-31-3
- Other Names
-
- 5«beta»-Androstan-17-one, 3«beta»-hydroxy-
- epi-5«beta»-Androsterone
- Epietiocholanolone
- Etiocholan-3«beta»-ol-17-one
- 3«beta»-Etiocholanolone
- 3«beta»-Hydroxy-5«beta»-androstane-17-one
- 3«beta»-Hydroxyetiocholan-17-one
- 5«beta»-Epiandrosterone
- Androstan-3«beta»-ol-17-one, (5«beta»)-
- 3-Hydroxyandrostan-17-one, (3«beta»,5«beta»)-
- 5-beta-Androstan-17-one, 3beta-hydroxy-
- 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).
- 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 | 0.5819 | Relay (... Calculated Property | |
| ΔfG° | -1.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.49 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.39 | kJ/mol | Relay (... Calculated Property |
| IE | 8.78 | eV | Relay (... Calculated Property |
| log10WS | -4.34 | Relay (... Calculated Property | |
| logPoct/wat | 3.959 | Crippen Calculated Property | |
| McVol | 242.570 | ml/mol | McGowan Calculated Property |
| Pc | 1925.36 | kPa | Joback Calculated Property |
| Tboil | 643.60 | K | Relay (... Calculated Property |
| Tc | 930.58 | K | Relay (... Calculated Property |
| Tfus | 455.01 | K | Relay (... Calculated Property |
| Vc | 0.873 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [870.61; 1022.62] | J/mol×K | [828.90; 1062.98] | 
|
| Cp,gas | 870.61 | J/mol×K | 828.90 | Joback Calculated Property |
| Cp,gas | 895.49 | J/mol×K | 867.91 | Joback Calculated Property |
| Cp,gas | 920.14 | J/mol×K | 906.93 | Joback Calculated Property |
| Cp,gas | 944.87 | J/mol×K | 945.94 | Joback Calculated Property |
| Cp,gas | 969.98 | J/mol×K | 984.95 | Joback Calculated Property |
| Cp,gas | 995.80 | J/mol×K | 1023.97 | Joback Calculated Property |
| Cp,gas | 1022.62 | J/mol×K | 1062.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androstan-17-one, 3-hydroxy-, (3«beta»,5«beta»)-.
Sources
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