- InChI
- InChI=1S/C20H33NO2/c1-19-8-7-17-16(18(19)11-14(12-19)21-23-3)5-4-13-10-15(22)6-9-20(13,17)2/h13,15-18,22H,4-12H2,1-3H3/b21-14-/t13-,15-,16?,17?,18?,19+,20-/m1/s1
- InChI Key
- UBKSDCQZYWESSE-VPLGIVNPSA-N
- Formula
- C20H33NO2
- SMILES
-
CON=C1CC2C3CCC4CC(O)CCC4(C)C3C
CC2(C)C1 - Molecular Weight1
- 319.48
- 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 | 0.6527 | Relay (... Calculated Property | |
| ΔfG° | 145.02 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -364.95 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 119.38 | kJ/mol | Relay (... Calculated Property |
| IE | 8.52 | eV | Relay (... Calculated Property |
| log10WS | -4.18 | Relay (... Calculated Property | |
| logPoct/wat | 4.392 | Crippen Calculated Property | |
| McVol | 266.640 | ml/mol | McGowan Calculated Property |
| Pc | 1531.86 | kPa | Joback Calculated Property |
| Inp | 2507.00 | NIST | |
| Tboil | 653.95 | K | Relay (... Calculated Property |
| Tc | 928.35 | K | Relay (... Calculated Property |
| Tfus | 419.48 | K | Relay (... Calculated Property |
| Vc | 0.957 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Androstan-3«beta»-ol-16-one, 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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