- InChI
- InChI=1S/C22H50O7Si4/c1-16(2)15-24-22-20(28-32(9,10)11)18(27-31(6,7)8)17(26-30(3,4)5)19(25-22)21(23)29-33(12,13)14/h16-20,22H,15H2,1-14H3
- InChI Key
- VSRFFEPYOAEWEU-UHFFFAOYSA-N
- Formula
- C22H50O7Si4
- SMILES
-
CC(C)COC1OC(C(=O)O[Si](C)(C)C)
C(O[Si](C)(C)C)C(O[Si](C)(C)C) C1O[Si](C)(C)C - Molecular Weight1
- 538.97
- 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 | 0.7955 | Relay (1.0) Calculated Property | |
| ΔfG° | -650.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1818.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.422 | Crippen Calculated Property | |
| Inp | [2110.00; 2110.00] |
|
|
| Inp | 2110.00 | NIST | |
| Inp | 2110.00 | NIST | |
| Tboil | 628.60 | K | Relay (1.0) Calculated Property |
| Tc | 801.29 | K | Relay (1.0) Calculated Property |
| Tfus | 307.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.730 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl 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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