- InChI
- InChI=1S/C22H37NO/c1-15(23-24-4)18-10-11-19-17-9-8-16-7-5-6-13-21(16,2)20(17)12-14-22(18,19)3/h16-20H,5-14H2,1-4H3/t16-,17?,18-,19?,20?,21+,22-/m0/s1
- InChI Key
- YDHJUNUWILMLTJ-VMJBKEOGSA-N
- Formula
- C22H37NO
- SMILES
-
CON=C(C)C1CCC2C3CCC4CCCCC4(C)C
3CCC12C - Molecular Weight1
- 331.54
- 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 | 0.5395 | Relay (... Calculated Property | |
| ΔfG° | 287.61 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -213.34 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 99.19 | kJ/mol | Relay (... Calculated Property |
| IE | 8.48 | eV | Relay (... Calculated Property |
| log10WS | -6.06 | Relay (... Calculated Property | |
| logPoct/wat | 6.058 | Crippen Calculated Property | |
| McVol | 288.950 | ml/mol | McGowan Calculated Property |
| Pc | 1265.55 | kPa | Joback Calculated Property |
| Inp | 2384.00 | NIST | |
| Tboil | 642.01 | K | Relay (... Calculated Property |
| Tc | 915.41 | K | Relay (... Calculated Property |
| Tfus | 378.78 | K | Relay (... Calculated Property |
| Vc | 1.027 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-«alpha»-Pregnan-20-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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