- InChI
- InChI=1S/C21H52O6Si5/c1-28(2,3)23-16-18(22)20(26-31(10,11)12)21(27-32(13,14)15)19(25-30(7,8)9)17-24-29(4,5)6/h19-21H,16-17H2,1-15H3/t19-,20-,21+/m1/s1
- InChI Key
- LDUCAYFXHYLHLP-NJYVYQBISA-N
- Formula
- C21H52O6Si5
- SMILES
-
C[Si](C)(C)OCC(=O)C(O[Si](C)(C
)C)C(O[Si](C)(C)C)C(CO[Si](C)( C)C)O[Si](C)(C)C - Molecular Weight1
- 541.06
- Other Names
-
- Tagatose, TMS
- 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.
- I : 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 | 0.8044 | Relay (... Calculated Property | |
| ΔfG° | -511.87 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1700.60 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 71.14 | kJ/mol | Relay (... Calculated Property |
| IE | 9.11 | eV | Relay (... Calculated Property |
| log10WS | -3.04 | Relay (... Calculated Property | |
| logPoct/wat | 5.919 | Crippen Calculated Property | |
| Pc | -6.66 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1830.00; 1830.00] |
|
|
| Inp | 1830.00 | NIST | |
| Inp | 1830.00 | NIST | |
| I | [1853.00; 1853.00] |
|
|
| I | 1853.00 | NIST | |
| I | 1853.00 | NIST | |
| Tboil | 605.66 | K | Relay (... Calculated Property |
| Tc | 753.29 | K | Relay (... Calculated Property |
| Tfus | 298.19 | K | Relay (... Calculated Property |
| Vc | 1.804 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Tagatose, acyclic, 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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