- InChI
- InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16?,17?,18?,19?,20?,21+/m0/s1
- InChI Key
- IVFYLRMMHVYGJH-UOQZVYSPSA-N
- Formula
- C21H32O2
- SMILES
-
CC1CC2=CC(=O)CCC2(C)C2CCC3(C)C
(CCC3(C)O)C12 - Molecular Weight1
- 316.48
- CAS
- 1605-89-6
- Other Names
-
- Androst-4-en-3-one, 17-hydroxy-7,17-dimethyl-, (7«alpha»,17«beta»)-
- Androst-4-en-3-one, 17«beta»-hydroxy-7«alpha»,17-dimethyl-
- Myagen
- Testosterone, 17«beta»-hydroxy-7«alpha»,17-dimethyl-
- Testosterone, 7«alpha»,17-dimethyl-
- U 19763
- 17«beta»-Hydroxy-7«alpha»,17-dimethylandrost-4-en-3-one
- 7«alpha»,17«alpha»-Dimethyltestosterone
- 7«alpha»,17-Dimethyltestosterone
- NSC 66233
- 17-Hydroxy-7,17-dimethylandrost-4-en-3-one-, (7«alpha»,17«beta»)-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 29.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.35 | kJ/mol | Joback Calculated Property |
| log10WS | -5.25 | Crippen Calculated Property | |
| logPoct/wat | 4.515 | Crippen Calculated Property | |
| McVol | 266.450 | ml/mol | McGowan Calculated Property |
| Pc | 1728.90 | kPa | Joback Calculated Property |
| Inp | 2727.00 | NIST | |
| Tboil | 879.04 | K | Joback Calculated Property |
| Tc | 1115.52 | K | Joback Calculated Property |
| Tfus | 581.89 | K | Joback Calculated Property |
| Vc | 1.002 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [965.45; 1158.99] | J/mol×K | [879.04; 1115.52] | 
|
| Cp,gas | 965.45 | J/mol×K | 879.04 | Joback Calculated Property |
| Cp,gas | 993.76 | J/mol×K | 918.45 | Joback Calculated Property |
| Cp,gas | 1023.08 | J/mol×K | 957.87 | Joback Calculated Property |
| Cp,gas | 1053.82 | J/mol×K | 997.28 | Joback Calculated Property |
| Cp,gas | 1086.44 | J/mol×K | 1036.69 | Joback Calculated Property |
| Cp,gas | 1121.35 | J/mol×K | 1076.11 | Joback Calculated Property |
| Cp,gas | 1158.99 | J/mol×K | 1115.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bolasterone.
Sources
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