- InChI
- InChI=1S/C20H48O7Si5/c1-28(2,3)23-16(17(24-29(4,5)6)19(21)26-31(10,11)12)18(25-30(7,8)9)20(22)27-32(13,14)15/h16-18H,1-15H3/t16-,17-,18+
- InChI Key
- QGJKSEWJPVGCIU-NNZMDNLPSA-N
- Formula
- C20H48O7Si5
- SMILES
-
C[Si](C)(C)OC(=O)C(O[Si](C)(C)
C)C(O[Si](C)(C)C)C(O[Si](C)(C) C)C(=O)O[Si](C)(C)C - Molecular Weight1
- 541.02
- 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.
- 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 | 0.8339 | Relay (1.0) Calculated Property | |
| ΔfG° | -732.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1923.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 73.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.403 | Crippen Calculated Property | |
| Inp | [1872.00; 1872.00] |
|
|
| Inp | 1872.00 | NIST | |
| Inp | 1872.00 | NIST | |
| Tboil | 576.58 | K | Relay (1.0) Calculated Property |
| Tc | 738.31 | K | Relay (1.0) Calculated Property |
| Tfus | 296.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.767 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Xylaric acid, 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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