- InChI
- InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3
- InChI Key
- MEHHPFQKXOUFFV-UHFFFAOYSA-N
- Formula
- C18H22O2
- SMILES
-
CC12C=CC3=C4CCC(=O)C=C4CCC3C1C
CC2O - Molecular Weight1
- 270.37
- CAS
- 10161-33-8
- Other Names
-
- ESTRA-4,9,11-TRIEN-3-ONE, 17-HYDROXY-, (17-«beta»)-
- RU 2341
- Trenbolone
- 17-«beta»-Trenbolone
- Trienbolone
- 17«beta»-Hydroxyestra-4,9,11-trien-3-one
- estra-4,9,11-trien-3-one, 17-hydroxy-, (17beta)-
- (17beta)-17-hydroxyestra-4,9,11-trien-3-one
- 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).
- 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 | 0.5641 | Relay (1.0) Calculated Property | |
| ΔfG° | 79.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -253.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.329 | Crippen Calculated Property | |
| McVol | 215.580 | ml/mol | McGowan Calculated Property |
| Pc | 2342.82 | kPa | Joback Calculated Property |
| Inp | [2791.40; 2791.40] |
|
|
| Inp | 2791.40 | NIST | |
| Inp | 2791.40 | NIST | |
| Tboil | 637.79 | K | Relay (1.0) Calculated Property |
| Tc | 936.95 | K | Relay (1.0) Calculated Property |
| Tfus | 446.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.757 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [719.36; 830.85] | J/mol×K | [832.21; 1070.01] |
|
| Cp,gas | 719.36 | J/mol×K | 832.21 | Joback Calculated Property |
| Cp,gas | 738.46 | J/mol×K | 871.84 | Joback Calculated Property |
| Cp,gas | 757.06 | J/mol×K | 911.48 | Joback Calculated Property |
| Cp,gas | 775.38 | J/mol×K | 951.11 | Joback Calculated Property |
| Cp,gas | 793.64 | J/mol×K | 990.74 | Joback Calculated Property |
| Cp,gas | 812.06 | J/mol×K | 1030.38 | Joback Calculated Property |
| Cp,gas | 830.85 | J/mol×K | 1070.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Estra-4,9,11-trien-3-one, 17-«beta»-hydroxy-.
Sources
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