- InChI
- InChI=1S/C21H48O7Si4/c1-14-15-23-21-19(27-31(8,9)10)17(26-30(5,6)7)16(25-29(2,3)4)18(24-21)20(22)28-32(11,12)13/h16-19,21H,14-15H2,1-13H3
- InChI Key
- RGPKXUCUWGYNNC-UHFFFAOYSA-N
- Formula
- C21H48O7Si4
- SMILES
-
CCCOC1OC(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
- 524.94
- 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 | 0.7795 | Relay (... Calculated Property | |
| ΔfG° | -659.07 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1785.11 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 80.64 | kJ/mol | Relay (... Calculated Property |
| IE | 9.54 | eV | Relay (... Calculated Property |
| log10WS | -3.72 | Relay (... Calculated Property | |
| logPoct/wat | 5.176 | Crippen Calculated Property | |
| Pc | 15.33 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2083.00; 2083.00] |
|
|
| Inp | 2083.00 | NIST | |
| Inp | 2083.00 | NIST | |
| Tboil | 623.58 | K | Relay (... Calculated Property |
| Tc | 791.50 | K | Relay (... Calculated Property |
| Tfus | 300.85 | K | Relay (... Calculated Property |
| Vc | 1.677 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Propyl 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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