- InChI
- InChI=1S/C20H31NO2/c1-19-10-8-14(21-23-3)12-13(19)4-5-15-16-6-7-18(22)20(16,2)11-9-17(15)19/h12,15-18,22H,4-11H2,1-3H3/t15-,16-,17-,18-,19-,20-/m1/s1
- InChI Key
- OCGJMJCBENBXGY-BZIXAJQCSA-N
- Formula
- C20H31NO2
- SMILES
-
CON=C1C=C2CCC3C(CCC4(C)C(O)CCC
34)C2(C)CC1 - Molecular Weight1
- 317.47
- CAS
- 3091-89-2
- Other Names
-
- 4-Androsten-17«beta»-ol-3-one (testosterone), MO
- 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 | 0.6362 | Relay (1.0) Calculated Property | |
| ΔfG° | 171.36 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -270.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.312 | Crippen Calculated Property | |
| McVol | 262.340 | ml/mol | McGowan Calculated Property |
| Pc | 1598.72 | kPa | Joback Calculated Property |
| Inp | [2575.00; 2575.00] |
|
|
| Inp | 2575.00 | NIST | |
| Inp | 2575.00 | NIST | |
| Tboil | 640.87 | K | Relay (1.0) Calculated Property |
| Tc | 923.11 | K | Relay (1.0) Calculated Property |
| Tfus | 426.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.931 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Androst-4-en-3-one, 17-hydroxy-, O-methyloxime, (17«beta»)-.
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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