- InChI
- InChI=1S/C17H38O7Si3/c1-19-16(18)14-12(22-25(3,4)5)13(23-26(6,7)8)15(17(20-2)21-14)24-27(9,10)11/h12-15,17H,1-11H3
- InChI Key
- YBPUSDOFUOGIOU-UHFFFAOYSA-N
- Formula
- C17H38O7Si3
- SMILES
-
COC(=O)C1OC(OC)C(O[Si](C)(C)C)
C(O[Si](C)(C)C)C1O[Si](C)(C)C - Molecular Weight1
- 438.74
- 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 | 0.6572 | Relay (... Calculated Property | |
| ΔfG° | -641.90 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1595.35 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 78.60 | kJ/mol | Relay (... Calculated Property |
| IE | 9.29 | eV | Relay (... Calculated Property |
| log10WS | -2.42 | Relay (... Calculated Property | |
| logPoct/wat | 3.191 | Crippen Calculated Property | |
| Pc | 481.83 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1983.00 | NIST | |
| Tboil | 600.22 | K | Relay (... Calculated Property |
| Tc | 771.88 | K | Relay (... Calculated Property |
| Tfus | 323.36 | K | Relay (... Calculated Property |
| Vc | 1.345 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Methyl glucuronide, 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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