- InChI
- InChI=1S/C34H71NO6Si4/c1-15-17-20-23-30(38-42(3,4)5)26-27-32(39-43(6,7)8)31(33(40-44(9,10)11)28-29-35-37-16-2)24-21-18-19-22-25-34(36)41-45(12,13)14/h18,21,26-27,29-33H,15-17,19-20,22-25,28H2,1-14H3/b21-18-,27-26+,35-29?/t30-,31+,32?,33-/m1/s1
- InChI Key
- UZZQVCQDJISJNL-LDGNLHDPSA-N
- Formula
- C34H71NO6Si4
- SMILES
-
CCCCCC(C=CC(O[Si](C)(C)C)C(CC=
CCCCC(=O)O[Si](C)(C)C)C(CC=NOC C)O[Si](C)(C)C)O[Si](C)(C)C - Molecular Weight1
- 702.27
- 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 | 1.1869 | Relay (1.0) Calculated Property | |
| ΔfG° | -194.67 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1670.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.306 | Crippen Calculated Property | |
| Pc | -944.15 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2849.00 | NIST | |
| Tboil | 709.06 | K | Relay (1.0) Calculated Property |
| Tc | 847.44 | K | Relay (1.0) Calculated Property |
| Tfus | 284.07 | K | Relay (1.0) Calculated Property |
| Vc | 2.268 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to TxB2, EO-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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