- InChI
- InChI=1S/C27H48O2Si2/c1-19-17-20-18-21(28-30(5,6)7)11-14-25(20,2)22-12-15-26(3)23(24(19)22)13-16-27(26,4)29-31(8,9)10/h17-19,22-24H,11-16H2,1-10H3
- InChI Key
- FKNAXZNQYPTDCN-UHFFFAOYSA-N
- Formula
- C27H48O2Si2
- SMILES
-
CC1C=C2C=C(O[Si](C)(C)C)CCC2(C
)C2CCC3(C)C(CCC3(C)O[Si](C)(C) C)C12 - Molecular Weight1
- 460.84
- 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 | 0.5893 | Relay (1.0) Calculated Property | |
| ΔfG° | 96.76 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -714.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.151 | Crippen Calculated Property | |
| Pc | 161.95 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | [2802.00; 2802.00] |
|
|
| Inp | 2802.00 | NIST | |
| Inp | 2802.00 | NIST | |
| Tboil | 652.66 | K | Relay (1.0) Calculated Property |
| Tc | 910.60 | K | Relay (1.0) Calculated Property |
| Tfus | 394.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.495 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Bolasterone, per-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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