- InChI
- InChI=1S/C48H114O16Si11/c1-65(2,3)51-36-47(41(59-70(16,17)18)38(56-67(7,8)9)44(53-47)62-73(25,26)27)49-34-46(40(58-69(13,14)15)37(55-66(4,5)6)43(52-46)61-72(22,23)24)50-35-48(64-75(31,32)33)42(60-71(19,20)21)39(57-68(10,11)12)45(54-48)63-74(28,29)30/h37-45H,34-36H2,1-33H3/t37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,47+,48?/m0/s1
- InChI Key
- BTVJTZCZVGMZJI-VMMWBGMCSA-N
- Formula
- C48H114O16Si11
- SMILES
-
C[Si](C)(C)OCC1(OCC2(OCC3(O[Si
](C)(C)C)OC(O[Si](C)(C)C)C(O[S i](C)(C)C)C3O[Si](C)(C)C)OC(O[ Si](C)(C)C)C(O[Si](C)(C)C)C2O[ Si](C)(C)C)OC(O[Si](C)(C)C)C(O [Si](C)(C)C)C1O[Si](C)(C)C - Molecular Weight1
- 1256.35
- 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 | 1.4135 | Relay (... Calculated Property | |
| ΔfG° | -1353.72 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -4172.63 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 114.56 | kJ/mol | Relay (... Calculated Property |
| IE | 8.94 | eV | Relay (... Calculated Property |
| log10WS | -7.97 | Relay (... Calculated Property | |
| logPoct/wat | 12.755 | Crippen Calculated Property | |
| Pc | -3154.72 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3309.00 | NIST | |
| Tboil | 871.13 | K | Relay (... Calculated Property |
| Tc | 1000.81 | K | Relay (... Calculated Property |
| Tfus | 269.02 | K | Relay (... Calculated Property |
| Vc | 4.132 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Inulotriose: bD-Fruf(2->1)-bDFruf(2->1)-DFru, oxime-TMS, isomer # 2.
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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