- InChI
- InChI=1S/C17H42O5Si4/c1-23(2,3)19-14-17(22-26(10,11)12)16(21-25(7,8)9)15(13-18-17)20-24(4,5)6/h15-16H,13-14H2,1-12H3/t15-,16-,17-/m0/s1
- InChI Key
- APQKDYOCVZXJBM-ULQDDVLXSA-N
- Formula
- C17H42O5Si4
- SMILES
-
C[Si](C)(C)OCC1(O[Si](C)(C)C)O
CC(O[Si](C)(C)C)C1O[Si](C)(C)C - Molecular Weight1
- 438.85
- 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 | 0.6416 | Relay (... Calculated Property | |
| ΔfG° | -421.20 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1371.75 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 67.34 | kJ/mol | Relay (... Calculated Property |
| IE | 9.31 | eV | Relay (... Calculated Property |
| log10WS | -3.24 | Relay (... Calculated Property | |
| logPoct/wat | 4.856 | Crippen Calculated Property | |
| Pc | 458.86 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1603.00; 1603.00] |
|
|
| Inp | 1603.00 | NIST | |
| Inp | 1603.00 | NIST | |
| Tboil | 580.65 | K | Relay (... Calculated Property |
| Tc | 739.73 | K | Relay (... Calculated Property |
| Tfus | 289.09 | K | Relay (... Calculated Property |
| Vc | 1.470 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-D-Xylulose, 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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