- InChI
- InChI=1S/C32H61FO4Si4/c1-29-18-16-23(34-38(4,5)6)20-26(29)27(35-39(7,8)9)21-25-24-17-19-31(3,37-41(13,14)15)30(24,2)22-28(32(25,29)33)36-40(10,11)12/h20,24-25,28H,16-19,21-22H2,1-15H3/t24?,25?,28-,29?,30?,31-,32-/m1/s1
- InChI Key
- PDSJFWRYSJSVQU-MCLMALPUSA-N
- Formula
- C32H61FO4Si4
- SMILES
-
CC1(O[Si](C)(C)C)CCC2C3CC(O[Si
](C)(C)C)=C4C=C(O[Si](C)(C)C)C CC4(C)C3(F)C(O[Si](C)(C)C)CC21 C - Molecular Weight1
- 641.16
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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.
- 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 | 0.7646 | Relay (1.0) Calculated Property | |
| ΔfG° | -228.59 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1432.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.006 | Crippen Calculated Property | |
| Pc | -638.05 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3061.00; 3061.00] |
|
|
| Inp | 3061.00 | NIST | |
| Inp | 3061.00 | NIST | |
| Tboil | 694.25 | K | Relay (1.0) Calculated Property |
| Tc | 959.00 | K | Relay (1.0) Calculated Property |
| Tfus | 384.54 | K | Relay (1.0) Calculated Property |
| Vc | 2.036 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 6«beta»-Hydroxy-Fluoxymesterone, tetra-TMS (3,5-diene).
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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