- InChI
- InChI=1S/C22H33NO3/c1-21-11-9-15(23-26-4)13-14(21)5-6-16-17-7-8-19(20(24)25-3)22(17,2)12-10-18(16)21/h13,16-19H,5-12H2,1-4H3/b23-15+/t16?,17?,18?,19-,21+,22+/m0/s1
- InChI Key
- SEYDYMYWIPQRHK-YRIAWWRLSA-N
- Formula
- C22H33NO3
- SMILES
-
CON=C1C=C2CCC3C(CCC4(C)C(C(=O)
OC)CCC34)C2(C)CC1 - Molecular Weight1
- 359.50
- 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 | 0.6174 | Relay (1.0) Calculated Property | |
| ΔfG° | 68.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -460.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.741 | Crippen Calculated Property | |
| McVol | 292.090 | ml/mol | McGowan Calculated Property |
| Pc | 1332.96 | kPa | Joback Calculated Property |
| Inp | 2745.00 | NIST | |
| Tboil | 646.11 | K | Relay (1.0) Calculated Property |
| Tc | 933.86 | K | Relay (1.0) Calculated Property |
| Tfus | 413.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.027 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methyl-3-oxoandrost-4-ene-17B-carboxylate, 3-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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