- InChI
- InChI=1S/C37H89NO11Si8/c1-39-38-26-29(43-51(5,6)7)32(45-53(11,12)13)34(47-55(17,18)19)31(44-52(8,9)10)27-40-37-36(49-57(23,24)25)35(48-56(20,21)22)33(46-54(14,15)16)30(42-37)28-41-50(2,3)4/h26,29-37H,27-28H2,1-25H3/b38-26+/t29-,30+,31+,32+,33-,34+,35-,36+,37-/m0/s1
- InChI Key
- IBUWRFQPAQWUEY-ILLMMEHASA-N
- Formula
- C37H89NO11Si8
- SMILES
-
CON=CC(O[Si](C)(C)C)C(O[Si](C)
(C)C)C(O[Si](C)(C)C)C(COC1OC(C O[Si](C)(C)C)C(O[Si](C)(C)C)C( O[Si](C)(C)C)C1O[Si](C)(C)C)O[ Si](C)(C)C - Molecular Weight1
- 948.79
- 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 | 1.2341 | Relay (... Calculated Property | |
| ΔfG° | -677.59 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2725.18 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 104.63 | kJ/mol | Relay (... Calculated Property |
| IE | 8.91 | eV | Relay (... Calculated Property |
| log10WS | -5.19 | Relay (... Calculated Property | |
| logPoct/wat | 9.752 | Crippen Calculated Property | |
| Pc | -1821.58 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2904.00; 2904.00] |
|
|
| Inp | 2904.00 | NIST | |
| Inp | 2904.00 | NIST | |
| Tboil | 786.85 | K | Relay (... Calculated Property |
| Tc | 898.07 | K | Relay (... Calculated Property |
| Tfus | 304.92 | K | Relay (... Calculated Property |
| Vc | 3.056 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Melibiose, MEOX-8TMS.
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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