- InChI
- InChI=1S/C39H96O11Si9/c1-51(2,3)41-29-31-34(46-55(13,14)15)37(49-58(22,23)24)38(50-59(25,26)27)39(43-31)40-28-32(44-53(7,8)9)35(47-56(16,17)18)36(48-57(19,20)21)33(45-54(10,11)12)30-42-52(4,5)6/h31-39H,28-30H2,1-27H3/t31-,32-,33-,34-,35-,36-,37+,38-,39?/m0/s1
- InChI Key
- MHRRBIHJBBEMLC-FTRYFTPOSA-N
- Formula
- C39H96O11Si9
- SMILES
-
C[Si](C)(C)OCC(O[Si](C)(C)C)C(
O[Si](C)(C)C)C(O[Si](C)(C)C)C( COC1OC(CO[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
- 993.94
- 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 | 1.2230 | Relay (... Calculated Property | |
| ΔfG° | -821.92 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -3039.66 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 101.42 | kJ/mol | Relay (... Calculated Property |
| IE | 9.10 | eV | Relay (... Calculated Property |
| log10WS | -5.85 | Relay (... Calculated Property | |
| logPoct/wat | 10.972 | Crippen Calculated Property | |
| Pc | -1958.82 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3047.40; 3047.40] |
|
|
| Inp | 3047.40 | NIST | |
| Inp | 3047.40 | NIST | |
| Tboil | 799.80 | K | Relay (... Calculated Property |
| Tc | 902.60 | K | Relay (... Calculated Property |
| Tfus | 292.48 | K | Relay (... Calculated Property |
| Vc | 3.291 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to palatinitol 2, 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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