- InChI
- InChI=1S/C52H123NO16Si11/c1-54-53-35-39(62-73(11,12)13)45(64-75(17,18)19)44(42(63-74(14,15)16)38-57-72(8,9)10)61-51-49(68-79(29,30)31)47(66-77(23,24)25)43(40(58-51)36-55-70(2,3)4)60-52-50(69-80(32,33)34)48(67-78(26,27)28)46(65-76(20,21)22)41(59-52)37-56-71(5,6)7/h35,39-52H,36-38H2,1-34H3/b53-35+/t39-,40+,41+,42+,43+,44+,45+,46+,47-,48-,49+,50+,51+,52-/m1/s1
- InChI Key
- ZBZIIZBTDCJHFT-GRRQHDHXSA-N
- Formula
- C52H123NO16Si11
- SMILES
-
CON=CC(O[Si](C)(C)C)C(O[Si](C)
(C)C)C(OC1OC(CO[Si](C)(C)C)C(O C2OC(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(CO[Si](C)(C)C)O[Si](C)(C )C - Molecular Weight1
- 1327.47
- 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 | 1.5913 | Relay (... Calculated Property | |
| ΔfG° | -1032.88 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -3937.73 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 130.09 | kJ/mol | Relay (... Calculated Property |
| IE | 8.80 | eV | Relay (... Calculated Property |
| log10WS | -6.95 | Relay (... Calculated Property | |
| logPoct/wat | 13.154 | Crippen Calculated Property | |
| Pc | -3437.90 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3550.00; 3550.00] |
|
|
| Inp | 3550.00 | NIST | |
| Inp | 3550.00 | NIST | |
| Tboil | 938.31 | K | Relay (... Calculated Property |
| Tc | 1026.41 | K | Relay (... Calculated Property |
| Tfus | 309.10 | K | Relay (... Calculated Property |
| Vc | 4.246 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Maltotriose, MEOX-11TMS.
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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