- InChI
- InChI=1S/C36H75NO6Si4/c1-15-17-21-24-32(40-44(3,4)5)27-28-34(41-45(6,7)8)33(25-22-19-20-23-26-36(38)43-47(12,13)14)35(42-46(9,10)11)29-30-37-39-31-18-16-2/h19,22,27-28,30,32-35H,15-18,20-21,23-26,29,31H2,1-14H3/b22-19-,28-27+,37-30?/t32-,33+,34?,35-/m1/s1
- InChI Key
- ZDKNWZCKFHUROO-PYQFQSJFSA-N
- Formula
- C36H75NO6Si4
- SMILES
-
CCCCCC(C=CC(O[Si](C)(C)C)C(CC=
CCCCC(=O)O[Si](C)(C)C)C(CC=NOC CCC)O[Si](C)(C)C)O[Si](C)(C)C - Molecular Weight1
- 730.33
- 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 | 1.2631 | Relay (1.0) Calculated Property | |
| ΔfG° | -187.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1714.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.087 | Crippen Calculated Property | |
| Pc | -1013.87 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3013.00; 3013.00] |
|
|
| Inp | 3013.00 | NIST | |
| Inp | 3013.00 | NIST | |
| Tboil | 725.66 | K | Relay (1.0) Calculated Property |
| Tc | 862.16 | K | Relay (1.0) Calculated Property |
| Tfus | 274.07 | K | Relay (1.0) Calculated Property |
| Vc | 2.376 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to TxB2, BO-TMS, isomer # 2.
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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