- InChI
- InChI=1S/C11H22O5Si/c1-11(2)14-7-8(15-11)9(10(12)13-3)16-17(4,5)6/h8-9H,7H2,1-6H3
- InChI Key
- ZZLDEXWJQNDGQG-UHFFFAOYSA-N
- Formula
- C11H22O5Si
- SMILES
-
COC(=O)C(O[Si](C)(C)C)C1COC(C)
(C)O1 - Molecular Weight1
- 262.37
- Other Names
-
- Methyl 3,4-o-isopropylidene-l-threonate, tms derivative
- 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 | 0.5141 | Relay (... Calculated Property | |
| ΔfG° | -505.69 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1049.96 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 68.82 | kJ/mol | Relay (... Calculated Property |
| IE | 9.67 | eV | Relay (... Calculated Property |
| log10WS | -0.74 | Relay (... Calculated Property | |
| logPoct/wat | 1.531 | Crippen Calculated Property | |
| Pc | 1486.04 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1323.30; 1323.30] |
|
|
| Inp | 1323.30 | NIST | |
| Inp | 1323.30 | NIST | |
| Tboil | 500.68 | K | Relay (... Calculated Property |
| Tc | 679.86 | K | Relay (... Calculated Property |
| Tfus | 292.85 | K | Relay (... Calculated Property |
| Vc | 0.805 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 3,4-O-isopropylidene-L-threonate, trimethylsilyl ether.
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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