- InChI
- InChI=1S/C21H54O5Si5/c1-27(2,3)22-17-16-19(24-29(7,8)9)21(26-31(13,14)15)20(25-30(10,11)12)18-23-28(4,5)6/h19-21H,16-18H2,1-15H3
- InChI Key
- ULCPMKYKEVLMSQ-UHFFFAOYSA-N
- Formula
- C21H54O5Si5
- SMILES
-
C[Si](C)(C)OCCC(O[Si](C)(C)C)C
(O[Si](C)(C)C)C(CO[Si](C)(C)C) O[Si](C)(C)C - Molecular Weight1
- 527.08
- 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 | 0.7995 | Relay (... Calculated Property | |
| ΔfG° | -380.62 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1571.37 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 70.26 | kJ/mol | Relay (... Calculated Property |
| IE | 9.15 | eV | Relay (... Calculated Property |
| log10WS | -3.35 | Relay (... Calculated Property | |
| logPoct/wat | 6.740 | Crippen Calculated Property | |
| Pc | 20.05 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1859.70 | NIST | |
| Tboil | 610.74 | K | Relay (... Calculated Property |
| Tc | 732.78 | K | Relay (... Calculated Property |
| Tfus | 271.61 | K | Relay (... Calculated Property |
| Vc | 1.822 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-deoxyglucitol, 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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