- InChI
- InChI=1S/C32H66O4Si4/c1-32-21-29(35-39(8,9)10)31-25-17-15-24(34-38(5,6)7)20-23(25)14-16-26(31)27(32)18-19-28(32)30(36-40(11,12)13)22-33-37(2,3)4/h23-31H,14-22H2,1-13H3/t23-,24+,25?,26?,27?,28+,29-,30+,31?,32-/m1/s1
- InChI Key
- NLRITPVCQLIPHR-HSYZEDDLSA-N
- Formula
- C32H66O4Si4
- SMILES
-
CC12CC(O[Si](C)(C)C)C3C4CCC(O[
Si](C)(C)C)CC4CCC3C1CCC2C(CO[S i](C)(C)C)O[Si](C)(C)C - Molecular Weight1
- 627.21
- 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 | 0.7853 | Relay (... Calculated Property | |
| ΔfG° | -87.89 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1376.80 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 110.96 | kJ/mol | Relay (... Calculated Property |
| IE | 8.99 | eV | Relay (... Calculated Property |
| log10WS | -7.16 | Relay (... Calculated Property | |
| logPoct/wat | 9.377 | Crippen Calculated Property | |
| Pc | -858.87 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3125.00; 3128.00] |
|
|
| Inp | 3125.00 | NIST | |
| Inp | 3127.00 | NIST | |
| Inp | 3128.00 | NIST | |
| Tboil | 730.51 | K | Relay (... Calculated Property |
| Tc | 972.83 | K | Relay (... Calculated Property |
| Tfus | 372.21 | K | Relay (... Calculated Property |
| Vc | 2.057 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Pregnane-3«alpha»,11«beta»,20«alpha»,21-tetrol, EO-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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