- InChI
- InChI=1S/C25H34N4O5/c1-24-11-9-17(30)13-15(24)3-5-18-19-6-8-23(25(19,2)12-10-20(18)24)27-26-21-7-4-16(28(31)32)14-22(21)29(33)34/h4,7,14-15,17-20,26,30H,3,5-6,8-13H2,1-2H3/b27-23+
- InChI Key
- FTLREWFXBTYMQV-SLEBQGDGSA-N
- Formula
- C25H34N4O5
- SMILES
-
CC12CCC3C(CCC4CC(O)CCC43C)C1CC
C2=NNc1ccc([N+](=O)[O-])cc1[N+ ](=O)[O-] - Molecular Weight1
- 470.56
- CAS
- 4589-93-9
- 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).
- 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 | 1.0163 | Relay (1.0) Calculated Property | |
| ΔfG° | 429.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -173.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 164.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.675 | Crippen Calculated Property | |
| McVol | 352.280 | ml/mol | McGowan Calculated Property |
| Pc | 1392.29 | kPa | Joback Calculated Property |
| Tboil | 763.23 | K | Relay (1.0) Calculated Property |
| Tc | 1203.69 | K | Relay (1.0) Calculated Property |
| Tfus | 499.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.224 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 17-(2,4-Dinitrophenylhydrazono)-5beta-androstan-3alpha-ol.
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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