- InChI
- InChI=1S/C22H54O5Si5/c1-28(2,3)23-18-22(27-32(13,14)15)17-16-19(24-29(4,5)6)20(25-30(7,8)9)21(22)26-31(10,11)12/h19-21H,16-18H2,1-15H3/t19-,20?,21?,22+/m0/s1
- InChI Key
- VMYYSEVTKSVMQL-ZGJBTBESSA-N
- Formula
- C22H54O5Si5
- SMILES
-
C[Si](C)(C)OCC1(O[Si](C)(C)C)C
CC(O[Si](C)(C)C)C(O[Si](C)(C)C )C1O[Si](C)(C)C - Molecular Weight1
- 539.09
- 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).
- I : 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 | 0.7358 | Relay (... Calculated Property | |
| ΔfG° | -366.78 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1522.28 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 74.74 | kJ/mol | Relay (... Calculated Property |
| IE | 9.12 | eV | Relay (... Calculated Property |
| log10WS | -4.05 | Relay (... Calculated Property | |
| logPoct/wat | 6.882 | Crippen Calculated Property | |
| Pc | -95.01 | kPa | Relay (... Calculated Property ⚠️ |
| I | 1776.00 | NIST | |
| Tboil | 624.39 | K | Relay (... Calculated Property |
| Tc | 785.56 | K | Relay (... Calculated Property |
| Tfus | 290.39 | K | Relay (... Calculated Property |
| Vc | 1.814 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to A-Tagatopyranose, 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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