- InChI
- InChI=1S/C19H30O3/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/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12-,13?,14?,15+,17?,18?,19?/m0/s1
- InChI Key
- PIXFHVWJOVNKQK-BEWPHQSDSA-N
- Formula
- C19H30O3
- SMILES
-
CC12CC(O)C3C(CCC4CC(O)CCC43C)C
1CCC2=O - Molecular Weight1
- 306.44
- CAS
- 739-26-4
- Other Names
-
- 11-Hydroxyetiocholanolone
- 3«alpha»,11«beta»-Dihydroxy-5«beta»-androstan-17-one
- 3«alpha»,11«beta»-Dihydroxy-5«beta»-androstan-17-one
- 5«beta»-Androstan-3«alpha»,11«beta»-diol-17-one
- 5«beta»-Androstan-3«alpha»,11«beta»-diol-17-one
- hydroxyisoandrosterone
- 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° | -146.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -668.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.59 | Aq. Sol... | |
| logPoct/wat | 2.930 | Crippen Calculated Property | |
| McVol | 248.440 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Tboil | 916.41 | K | Joback Calculated Property |
| Tc | 1140.77 | K | Joback Calculated Property |
| Tfus | 578.75 | K | Joback Calculated Property |
| Vc | 0.924 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [951.07; 1105.34] | J/mol×K | [916.41; 1140.77] | 
|
| Cp,gas | 951.07 | J/mol×K | 916.41 | Joback Calculated Property |
| Cp,gas | 975.05 | J/mol×K | 953.80 | Joback Calculated Property |
| Cp,gas | 999.37 | J/mol×K | 991.20 | Joback Calculated Property |
| Cp,gas | 1024.29 | J/mol×K | 1028.59 | Joback Calculated Property |
| Cp,gas | 1050.08 | J/mol×K | 1065.98 | Joback Calculated Property |
| Cp,gas | 1077.00 | J/mol×K | 1103.38 | Joback Calculated Property |
| Cp,gas | 1105.34 | J/mol×K | 1140.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androstan-17-one, 3,11-dihydroxy-, (3«alpha»,5«beta»,11«beta»)-.
Sources
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