- InChI
- InChI=1S/C21H30O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h6,8,13,17-19,22H,4-5,7,9-12H2,1-3H3
- InChI Key
- NVYBDSYHTNOJSQ-UHFFFAOYSA-N
- Formula
- C21H30O2
- SMILES
-
CCC1(O)CCC2C3CCc4cc(OC)ccc4C3C
CC21C - Molecular Weight1
- 314.46
- CAS
- 17550-03-7
- Other Names
-
- 3-methoxy-19-nor-17-«alpha»-pregna-1,3,5(10)-trien-17-«beta»-ol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.6785 | Relay (... Calculated Property | |
| ΔfG° | 108.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -338.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.59 | kJ/mol | Relay (... Calculated Property |
| IE | 7.84 | eV | Relay (... Calculated Property |
| log10WS | -4.96 | Relay (... Calculated Property | |
| logPoct/wat | 4.692 | Crippen Calculated Property | |
| McVol | 262.150 | ml/mol | McGowan Calculated Property |
| Pc | 1744.82 | kPa | Joback Calculated Property |
| Tboil | 666.13 | K | Relay (... Calculated Property |
| Tc | 939.27 | K | Relay (... Calculated Property |
| Tfus | 419.47 | K | Relay (... Calculated Property |
| Vc | 0.942 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [892.71; 1038.09] | J/mol×K | [851.02; 1074.69] | 
|
| Cp,gas | 892.71 | J/mol×K | 851.02 | Joback Calculated Property |
| Cp,gas | 915.50 | J/mol×K | 888.30 | Joback Calculated Property |
| Cp,gas | 938.47 | J/mol×K | 925.58 | Joback Calculated Property |
| Cp,gas | 961.92 | J/mol×K | 962.86 | Joback Calculated Property |
| Cp,gas | 986.14 | J/mol×K | 1000.13 | Joback Calculated Property |
| Cp,gas | 1011.43 | J/mol×K | 1037.41 | Joback Calculated Property |
| Cp,gas | 1038.09 | J/mol×K | 1074.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 17Alpha-ethyl-3-methoxyestra-1,3,5(10)-trien-17beta-ol.
Sources
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