- InChI
- InChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(25-30(4,5)6)19(26-31(7,8)9)21(28-33(13,14)15)23-18(16)20(22)27-32(10,11)12/h16-19,21H,1-15H3
- InChI Key
- ZJKACRRFXMWHBG-UHFFFAOYSA-N
- Formula
- C21H50O7Si5
- SMILES
-
C[Si](C)(C)OC(=O)C1OC(O[Si](C)
(C)C)C(O[Si](C)(C)C)C(O[Si](C) (C)C)C1O[Si](C)(C)C - Molecular Weight1
- 555.04
- 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 | 0.7582 | Relay (... Calculated Property | |
| ΔfG° | -652.47 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1883.25 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 80.47 | kJ/mol | Relay (... Calculated Property |
| IE | 9.56 | eV | Relay (... Calculated Property |
| log10WS | -3.76 | Relay (... Calculated Property | |
| logPoct/wat | 5.601 | Crippen Calculated Property | |
| Pc | -209.71 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1943.10 | NIST | |
| Tboil | 614.37 | K | Relay (... Calculated Property |
| Tc | 793.23 | K | Relay (... Calculated Property |
| Tfus | 319.57 | K | Relay (... Calculated Property |
| Vc | 1.798 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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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