- InChI
- InChI=1S/C51H120O16Si11/c1-68(2,3)53-35-39-42(58-51-49(67-78(31,32)33)47(65-76(25,26)27)45(63-74(19,20)21)40(57-51)36-54-69(4,5)6)46(64-75(22,23)24)48(66-77(28,29)30)50(56-39)59-43(41(61-72(13,14)15)37-55-70(7,8)9)44(62-73(16,17)18)38(34-52)60-71(10,11)12/h34,38-51H,35-37H2,1-33H3/t38-,39+,40+,41+,42+,43?,44+,45+,46-,47-,48+,49+,50+,51?/m1/s1
- InChI Key
- MIOZSARFNKRSCR-CEQXMGHCSA-N
- Formula
- C51H120O16Si11
- SMILES
-
C[Si](C)(C)OCC(O[Si](C)(C)C)C(
OC1OC(CO[Si](C)(C)C)C(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)C1O[Si](C)(C)C)C(O [Si](C)(C)C)C(C=O)O[Si](C)(C)C - Molecular Weight1
- 1298.43
- 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 | 1.5062 | Relay (... Calculated Property | |
| ΔfG° | -1191.61 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -4079.57 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 127.89 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -6.79 | Relay (... Calculated Property | |
| logPoct/wat | 12.721 | Crippen Calculated Property | |
| Pc | -3158.79 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3411.00; 3411.00] |
|
|
| Inp | 3411.00 | NIST | |
| Inp | 3411.00 | NIST | |
| Tboil | 930.09 | K | Relay (... Calculated Property |
| Tc | 1034.91 | K | Relay (... Calculated Property |
| Tfus | 316.58 | K | Relay (... Calculated Property |
| Vc | 4.169 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to MALTOTRIOSE 11TMS-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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