- InChI
- InChI=1S/C20H33NO3/c1-19-9-8-13(22)10-12(19)4-5-14-15-6-7-17(21-24-3)20(15,2)11-16(23)18(14)19/h12-16,18,22-23H,4-11H2,1-3H3/t12-,13-,14+,15+,16+,18-,19+,20+/m0/s1
- InChI Key
- UZMRRBJCQIXXCE-SQSLJORLSA-N
- Formula
- C20H33NO3
- SMILES
-
CON=C1CCC2C3CCC4CC(O)CCC4(C)C3
C(O)CC12C - Molecular Weight1
- 335.48
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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 |
|---|---|---|---|
| ω | 0.7289 | Relay (1.0) Calculated Property | |
| ΔfG° | 46.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -513.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 137.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.363 | Crippen Calculated Property | |
| McVol | 272.510 | ml/mol | McGowan Calculated Property |
| Pc | 1605.13 | kPa | Joback Calculated Property |
| Inp | 2622.00 | NIST | |
| Tboil | 659.39 | K | Relay (1.0) Calculated Property |
| Tc | 953.51 | K | Relay (1.0) Calculated Property |
| Tfus | 434.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.979 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5«beta»-Androstan-3«alpha»,11«beta»-diol-17-one (Androsterone), MO.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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