- InChI
- InChI=1S/C22H23F7O3/c1-19-9-8-14-13-5-3-12(30)10-11(13)2-4-15(14)16(19)6-7-17(19)32-18(31)20(23,24)21(25,26)22(27,28)29/h3,5,10,14-17,30H,2,4,6-9H2,1H3/t14-,15-,16+,17+,19+/m0/s1
- InChI Key
- CCRBPDNGXJRWRQ-DOEOUOAPSA-N
- Formula
- C22H23F7O3
- SMILES
-
CC12CCC3c4ccc(O)cc4CCC3C1CCC2O
C(=O)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 468.40
- 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° | -1369.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1912.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.38 | kJ/mol | Joback Calculated Property |
| log10WS | -6.84 | Crippen Calculated Property | |
| logPoct/wat | 5.993 | Crippen Calculated Property | |
| McVol | 290.200 | ml/mol | McGowan Calculated Property |
| Pc | 1415.44 | kPa | Joback Calculated Property |
| Inp | 2856.00 | NIST | |
| Tboil | 896.19 | K | Joback Calculated Property |
| Tc | 1114.08 | K | Joback Calculated Property |
| Tfus | 634.11 | K | Joback Calculated Property |
| Vc | 1.093 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.87; 1147.90] | J/mol×K | [896.19; 1114.08] | 
|
| Cp,gas | 1024.87 | J/mol×K | 896.19 | Joback Calculated Property |
| Cp,gas | 1043.91 | J/mol×K | 932.51 | Joback Calculated Property |
| Cp,gas | 1063.14 | J/mol×K | 968.82 | Joback Calculated Property |
| Cp,gas | 1082.85 | J/mol×K | 1005.14 | Joback Calculated Property |
| Cp,gas | 1103.34 | J/mol×K | 1041.45 | Joback Calculated Property |
| Cp,gas | 1124.93 | J/mol×K | 1077.77 | Joback Calculated Property |
| Cp,gas | 1147.90 | J/mol×K | 1114.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-non-deriv-17-HFB.
Sources
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