- InChI
- InChI=1S/C50H118O16Si11/c1-67(2,3)53-35-38-40(58-69(7,8)9)42(60-71(13,14)15)43(61-72(16,17)18)47(55-38)51-34-37-39(57-68(4,5)6)41(59-70(10,11)12)44(62-73(19,20)21)48(54-37)52-36-50(66-77(31,32)33)46(64-75(25,26)27)45(63-74(22,23)24)49(56-50)65-76(28,29)30/h37-49H,34-36H2,1-33H3/t37-,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48+,49-,50?/m1/s1
- InChI Key
- OEPGHTDGQMQCMX-FJJNRPAVSA-N
- Formula
- C50H118O16Si11
- SMILES
-
C[Si](C)(C)OCC1OC(OCC2OC(OCC3(
O[Si](C)(C)C)OC(O[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)C 2O[Si](C)(C)C)C(O[Si](C)(C)C)C (O[Si](C)(C)C)C1O[Si](C)(C)C - Molecular Weight1
- 1284.40
- 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 | 1.4475 | Relay (... Calculated Property | |
| ΔfG° | -1240.01 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -4151.51 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 124.51 | kJ/mol | Relay (... Calculated Property |
| IE | 8.90 | eV | Relay (... Calculated Property |
| log10WS | -7.83 | Relay (... Calculated Property | |
| logPoct/wat | 12.837 | Crippen Calculated Property | |
| Pc | -3344.39 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3320.00; 3320.00] |
|
|
| Inp | 3320.00 | NIST | |
| Inp | 3320.00 | NIST | |
| Tboil | 916.10 | K | Relay (... Calculated Property |
| Tc | 1035.79 | K | Relay (... Calculated Property |
| Tfus | 288.41 | K | Relay (... Calculated Property |
| Vc | 4.166 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Theanderose: aD-Gclp(1->6)-aDGlcp(1->2)-DFru, oxime-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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