- InChI
- InChI=1S/C51H120O16Si11/c1-68(2,3)53-35-39-42(61-72(13,14)15)44(63-74(19,20)21)46(65-76(25,26)27)49(56-39)52-34-38-41(60-71(10,11)12)45(64-75(22,23)24)47(66-77(28,29)30)50(57-38)59-51(37-55-70(7,8)9)48(67-78(31,32)33)43(62-73(16,17)18)40(58-51)36-54-69(4,5)6/h38-50H,34-37H2,1-33H3/t38-,39-,40-,41-,42-,43-,44+,45+,46-,47-,48+,49+,50-,51+/m0/s1
- InChI Key
- HKNREENPQGOOIO-XJLVRAOZSA-N
- Formula
- C51H120O16Si11
- SMILES
-
C[Si](C)(C)OCC1OC(OCC2OC(OC3(C
O[Si](C)(C)C)OC(CO[Si](C)(C)C) C(O[Si](C)(C)C)C3O[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) C(O[Si](C)(C)C)C1O[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 | 1.4749 | Relay (1.0) Calculated Property | |
| ΔfG° | -1210.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -4127.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.880 | Crippen Calculated Property | |
| Pc | -3389.17 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3505.00 | NIST | |
| Tboil | 927.95 | K | Relay (1.0) Calculated Property |
| Tc | 1047.90 | K | Relay (1.0) Calculated Property |
| Tfus | 290.26 | K | Relay (1.0) Calculated Property |
| Vc | 4.215 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Raffinose, undecakis-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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