- InChI
- InChI=1S/C24H40O2Si/c1-16-14-17-15-18(25)8-11-22(17,2)19-9-12-23(3)20(21(16)19)10-13-24(23,4)26-27(5,6)7/h15-16,19-21H,8-14H2,1-7H3/t16?,19?,20?,21?,22?,23?,24-/m0/s1
- InChI Key
- YODBBXQVBBUISJ-OLLNBOPXSA-N
- Formula
- C24H40O2Si
- SMILES
-
CC1CC2=CC(=O)CCC2(C)C2CCC3(C)C
(CCC3(C)O[Si](C)(C)C)C12 - Molecular Weight1
- 388.66
- Other Names
-
- Bolasterone, 17-TMS
- 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 | 0.5527 | Relay (1.0) Calculated Property | |
| ΔfG° | 24.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -621.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.375 | Crippen Calculated Property | |
| Pc | 775.05 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2828.00; 2828.00] |
|
|
| Inp | 2828.00 | NIST | |
| Inp | 2828.00 | NIST | |
| Tboil | 661.51 | K | Relay (1.0) Calculated Property |
| Tc | 928.52 | K | Relay (1.0) Calculated Property |
| Tfus | 412.81 | K | Relay (1.0) Calculated Property |
| Vc | 1.225 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Bolasterone, TMS.
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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