- InChI
- InChI=1S/C36H86O11Si8/c1-48(2,3)37-25-27-29(42-50(7,8)9)31(44-52(13,14)15)33(46-54(19,20)21)35(39-27)41-36-34(47-55(22,23)24)32(45-53(16,17)18)30(43-51(10,11)12)28(40-36)26-38-49(4,5)6/h27-36H,25-26H2,1-24H3/t27?,28?,29-,30-,31-,32-,33?,34?,35-,36-/m1/s1
- InChI Key
- YQFZNYCPHIXROS-NGKVRULWSA-N
- Formula
- C36H86O11Si8
- SMILES
-
C[Si](C)(C)OCC1OC(OC2OC(CO[Si]
(C)(C)C)C(O[Si](C)(C)C)C(O[Si] (C)(C)C)C2O[Si](C)(C)C)C(O[Si] (C)(C)C)C(O[Si](C)(C)C)C1O[Si] (C)(C)C - Molecular Weight1
- 919.75
- Other Names
-
- «alpha»,«alpha»-Tregalose, TMS
- A,A-Trehalose TMS
- D(+)-Trehalose (Mycose), TMS
- Trehalose, oxime-TMS
- TREHALOSE 8TMS
- 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 | 1.0926 | Relay (... Calculated Property | |
| ΔfG° | -819.87 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2908.56 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 103.01 | kJ/mol | Relay (... Calculated Property |
| IE | 9.08 | eV | Relay (... Calculated Property |
| log10WS | -5.80 | Relay (... Calculated Property | |
| logPoct/wat | 9.476 | Crippen Calculated Property | |
| Pc | -1767.56 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2816.00; 2840.00] |
|
|
| Inp | 2840.00 | NIST | |
| Inp | 2816.00 | NIST | |
| Inp | 2816.00 | NIST | |
| Tboil | 779.47 | K | Relay (... Calculated Property |
| Tc | 927.51 | K | Relay (... Calculated Property |
| Tfus | 321.33 | K | Relay (... Calculated Property |
| Vc | 3.008 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Trehalose, 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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