- InChI
- InChI=1S/C29H39F7O4Si/c1-25(2,3)41(6,7)40-22-14-16-8-9-18-17(19(16)15-21(22)38-5)12-13-26(4)20(18)10-11-23(26)39-24(37)27(30,31)28(32,33)29(34,35)36/h14-15,17-18,20,23H,8-13H2,1-7H3/t17-,18+,20-,23-,26-/m1/s1
- InChI Key
- NMDXBSXESTWUHW-IWJUXTRFSA-N
- Formula
- C29H39F7O4Si
- SMILES
-
COc1cc2c(cc1O[Si](C)(C)C(C)(C)
C)CCC1C2CCC2(C)C(OC(=O)C(F)(F) C(F)(F)C(F)(F)F)CCC12 - Molecular Weight1
- 612.69
- 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 | 0.8681 | Relay (... Calculated Property | |
| ΔfG° | -1500.92 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2351.91 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 119.92 | kJ/mol | Relay (... Calculated Property |
| IE | 8.42 | eV | Relay (... Calculated Property |
| log10WS | -8.18 | Relay (... Calculated Property | |
| logPoct/wat | 8.680 | Crippen Calculated Property | |
| Pc | 83.51 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2869.00; 2869.00] |
|
|
| Inp | 2869.00 | NIST | |
| Inp | 2869.00 | NIST | |
| Tboil | 716.86 | K | Relay (... Calculated Property |
| Tc | 944.12 | K | Relay (... Calculated Property |
| Tfus | 396.20 | K | Relay (... Calculated Property |
| Vc | 1.572 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5(10)-Oestratriene-2-methoxy-3,17«beta»-diol, 3-TBDMS-17-HFB.
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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