- InChI
- InChI=1S/C36H68O3Si3/c1-27-17-21-31(37-40(6,7)8)26-30(27)20-19-29-16-15-25-36(5)32(22-23-33(29)36)28(2)18-24-34(38-41(9,10)11)35(3,4)39-42(12,13)14/h19-20,28,31-34H,1,15-18,21-26H2,2-14H3/b29-19+,30-20-/t28?,31-,32+,33?,34+,36+/m1/s1
- InChI Key
- QYCXEPMWUJWGBH-JKBKWPTRSA-N
- Formula
- C36H68O3Si3
- SMILES
-
C=C1CCC(O[Si](C)(C)C)CC1=CC=C1
CCCC2(C)C1CCC2C(C)CCC(O[Si](C) (C)C)C(C)(C)O[Si](C)(C)C - Molecular Weight1
- 633.18
- 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 | 0.8312 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1091.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.282 | Crippen Calculated Property | |
| Pc | -733.15 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3579.00 | NIST | |
| Tboil | 747.17 | K | Relay (1.0) Calculated Property |
| Tc | 957.07 | K | Relay (1.0) Calculated Property |
| Tfus | 351.36 | K | Relay (1.0) Calculated Property |
| Vc | 2.073 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 24R,25-Dihydroxycholecalciferol, tris-TMS, # 2.
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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