- InChI
- InChI=1S/C23H52O7Si4/c1-15-17(2)16-25-23-21(29-33(9,10)11)19(28-32(6,7)8)18(27-31(3,4)5)20(26-23)22(24)30-34(12,13)14/h17-21,23H,15-16H2,1-14H3/t17-,18?,19?,20?,21?,23?/m1/s1
- InChI Key
- SZYCQSAICIJTNG-BBEXFNLESA-N
- Formula
- C23H52O7Si4
- SMILES
-
CCC(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
- 553.00
- 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 | 0.8185 | Relay (1.0) Calculated Property | |
| ΔfG° | -643.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1851.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.812 | Crippen Calculated Property | |
| Inp | 2187.00 | NIST | |
| Tboil | 639.84 | K | Relay (1.0) Calculated Property |
| Tc | 808.39 | K | Relay (1.0) Calculated Property |
| Tfus | 294.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.774 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (S)-2-Methylbutyl 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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