- InChI
- InChI=1S/C20H23F3O2/c1-19-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(19)8-9-17(19)25-18(24)20(21,22)23/h2-5,14-17H,6-11H2,1H3/t14-,15-,16+,17+,19+/m0/s1
- InChI Key
- HOAPZVGQTWGAQC-DOEOUOAPSA-N
- Formula
- C20H23F3O2
- SMILES
-
CC12CCC3c4ccccc4CCC3C1CCC2OC(=
O)C(F)(F)F - Molecular Weight1
- 352.39
- 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° | -458.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -892.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.78 | kJ/mol | Joback Calculated Property |
| log10WS | -5.82 | Crippen Calculated Property | |
| logPoct/wat | 5.017 | Crippen Calculated Property | |
| McVol | 249.070 | ml/mol | McGowan Calculated Property |
| Pc | 1635.13 | kPa | Joback Calculated Property |
| Inp | [2155.00; 2185.00] |
|
|
| Inp | 2155.00 | NIST | |
| Inp | 2185.00 | NIST | |
| Inp | 2155.00 | NIST | |
| Tboil | 779.19 | K | Joback Calculated Property |
| Tc | 1002.66 | K | Joback Calculated Property |
| Tfus | 492.65 | K | Joback Calculated Property |
| Vc | 0.966 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [812.41; 924.49] | J/mol×K | [779.19; 1002.66] |
|
| Cp,gas | 812.41 | J/mol×K | 779.19 | Joback Calculated Property |
| Cp,gas | 832.53 | J/mol×K | 816.43 | Joback Calculated Property |
| Cp,gas | 851.77 | J/mol×K | 853.68 | Joback Calculated Property |
| Cp,gas | 870.36 | J/mol×K | 890.92 | Joback Calculated Property |
| Cp,gas | 888.52 | J/mol×K | 928.17 | Joback Calculated Property |
| Cp,gas | 906.49 | J/mol×K | 965.41 | Joback Calculated Property |
| Cp,gas | 924.49 | J/mol×K | 1002.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5(10)-Oestratrien-17«beta»-ol, TFA.
Sources
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