- InChI
- InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3
- InChI Key
- WZDGZWOAQTVYBX-UHFFFAOYSA-N
- Formula
- C21H28O2
- SMILES
-
C#CC1(O)CCC2C3C(C)CC4=C(CCC(=O
)C4)C3CCC21C - Molecular Weight1
- 312.45
- CAS
- 5630-53-5
- Other Names
-
- 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-7-methyl-, (7«alpha»,17«alpha»)-
- 17-Hydroxy-7«alpha»-methyl-19-nor-17«alpha»-pregn-5(10)-en-20-yn-3-one
- (1«alpha»,17«alpha»)-17-hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one (tibolone)
- 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).
- 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° | 256.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.33 | kJ/mol | Joback Calculated Property |
| log10WS | -5.29 | Crippen Calculated Property | |
| logPoct/wat | 3.883 | Crippen Calculated Property | |
| McVol | 257.850 | ml/mol | McGowan Calculated Property |
| Pc | 1916.94 | kPa | Joback Calculated Property |
| Tboil | 878.57 | K | Joback Calculated Property |
| Tc | 1120.72 | K | Joback Calculated Property |
| Tfus | 621.72 | K | Joback Calculated Property |
| Vc | 0.968 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [905.12; 1066.64] | J/mol×K | [878.57; 1120.72] | 
|
| Cp,gas | 905.12 | J/mol×K | 878.57 | Joback Calculated Property |
| Cp,gas | 929.95 | J/mol×K | 918.93 | Joback Calculated Property |
| Cp,gas | 955.15 | J/mol×K | 959.29 | Joback Calculated Property |
| Cp,gas | 981.07 | J/mol×K | 999.64 | Joback Calculated Property |
| Cp,gas | 1008.05 | J/mol×K | 1040.00 | Joback Calculated Property |
| Cp,gas | 1036.46 | J/mol×K | 1080.36 | Joback Calculated Property |
| Cp,gas | 1066.64 | J/mol×K | 1120.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tibolone.
Sources
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